A0A061ACU6_CAEEL Loading...

Rho-GAP domain-containing protein

AlphaFold DB , UniProt , Accession A0A061ACU6, Species CAEEL (Caenorhabditis elegans), Gene srgp-1, Length 1,023 aa.

						>A0A061ACU6_CAEEL|A0A061ACU6|srgp-1
MSIRLPLCASIGVDDQYDFQEFRTKMSDQLKCLGDRTDVQMSSLSELQDYFRKRGEIESEYACKLEKLSKSIAQKHKSERSRREGWPQHTSSTVWHTLVEQTKEEYKKRQSLGELYGKQMTASIETRCEDLAKISKRCREIGSYSHNELNRVLTELQTAMKTYQLCYAEMCGIERKKRSAEEDVKRYEDSNPGKYEGSRRHRSLVKYFKRREEKFEVVRLKCTKARNEYLLCVKAANAALHRFFAQDLSYLIDCMDLGMDFWLRALLEKVIDERKKITQHEMDSLASLSTLRSSVDVKADKQKFFEANHQLFMLPKQFEFRPQLGDDIMEVSAEQSLSSDLLQRQLQIEKRLEGLQFEVDEVWKSLEASEKQLLQLYNTQFDGEAGKWRNDLHVTYQYYLKKFEHFLLNGNLMERLEARSASIGEALGKHGISLKSASVGSASERNGSFTTENGGSQNHHLLEERRSKARRIGGIVTKSPDDRPRPKLFGGSLDEYVEATGEEIPLLVQSAIAYLSRYSLRNQGLFRVSGSQSEINRFREAYERGEDLFQYLDDGSDANSAAGVLKLYFRELREPIFPIFMFEQFCDCAKSESPTEFVRRARELVSKLPVSHVLLLRFLFAFLSHLCEFADENMMEPHNLAICFGPTLLPIPEGKDQVFYHNYVNELVRNLIIHADDVFPRDLAGPVYDKYAMQRYMDGNFIEENDLISEDDEAHEKLSLPPSRHMMIDSTYESADRILLSSPILSQANTSTPNGISPSNGAESSTHNEIDYAPIASSRSSNRSKASGSIDLAMRSEMPHRIANELNNIFKNSSLSSEGSKGISVLRHSHVEPSWTDNREHLNMRSMSTDPDEEREYVSPPPPLLSTKYVSAASCSISPAPRTIDIKERKDSRDLLYAPITRATTVPANSGSNTEMNSTGVRPIGKSSLRDQLQLMRKENSTEMKPSTSLNGSTKKLDSETTILDARSTDKSTESSRRTSLEDDKSPEPFAQPDIINSARPRGKSPTLDDILNSLKVATSISP
					

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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	30.7	Very low	33.9	Very low	237 Å²	237	124 Å²	124	100%	1.167	69%	0.69	S	S	*	*				0	132.5	0	-71.1	172.1	169.6	0	0	108.7	I3	M1-I3 PolarHBondContact O-N 3.48Å
2	S	23.7	Very low	33.9	Very low	121 Å²	121	116.9 Å²	116.9	85%	0.846	67%	0.666	S	S	*	*			trans	-81.2	97.2	173.3	-58.7	0	0	0	0	110.2	R4	S2-R4 PolarHBondContact O-N 3.47Å
3	I	31.1	Very low	34.4	Very low	128 Å²	128	119 Å²	119	66%	0.656	68%	0.682	S	S	*	*			trans	-64.9	103.3	168.4	-60.2	176.6	0	0	0	107.2	M1 L5	M1-I3 PolarHBondContact O-N 3.48Å; I3-L5 PolarHBondContact O-N 3.11Å
4	R	29.2	Very low	34.6	Very low	239 Å²	239	121.9 Å²	121.9	90%	0.902	70%	0.695	S	S	*	*			trans	-68	89.7	163.8	-79.3	-172.5	176.6	-179.6	0.2	107.5	S2 P6	S2-R4 PolarHBondContact O-N 3.47Å; R4-P6 WeakPolarHBondContact O-CD 3.48Å
5	L	35.4	Very low	35.2	Very low	52 Å²	52	122.6 Å²	122.6	27%	0.272	70%	0.695	S	S	.	*			trans	-51.5	123.1	162.3	-86.4	166.6	0	0	0	107.9	I3 L7 F244	I3-L5 PolarHBondContact O-N 3.11Å; L5-L7 PolarHBondContact O-N 3.37Å; L5-F244 HydrophobicContact CD1-CB 4.07Å; L5-F244 HydrophobicContact CD2-CB 3.8Å; L5-F244 HydrophobicContact CD2-CD2 4.3Å; L5-F244 HydrophobicContact CD2-CG 4.05Å; L5-F244 HydrophobicContact CG-CB 4.4Å
6	P	34.7	Very low	36.1	Very low	116 Å²	116	127 Å²	127	75%	0.753	71%	0.708	S	S	*	*			trans	-64.6	104.6	168.4	27.1	-31.3	0	0	0	106.7	R4 C8	R4-P6 WeakPolarHBondContact O-CD 3.48Å; P6-C8 PolarHBondContact O-N 3.04Å
7	L	36.9	Very low	37.4	Very low	125 Å²	125	126.1 Å²	126.1	65%	0.654	69%	0.692	S	S	*	*			trans	-56.1	136.9	179.7	-81	129.2	0	0	0	109.7	L5 A9	L5-L7 PolarHBondContact O-N 3.37Å; L7-A9 HydrophobicContact CB-CB 4.04Å; L7-A9 PolarHBondContact O-N 3.44Å
8	C	41.3	Very low	39	Very low	53 Å²	53	123.9 Å²	123.9	36%	0.358	68%	0.68	S	S	.	*	S	Bend	trans	-68.9	37.7	168.7	-58.7	0	0	0	0	112.6	P6 S10 I11	P6-C8 PolarHBondContact O-N 3.04Å; C8-S10 VanDerWaalsContact C-N 3.32Å; C8-I11 HydrophobicContact CB-CD1 4.06Å; C8-I11 HydrophobicContact CB-CG1 4.29Å
9	A	32.4	Very low	40.6	Very low	91 Å²	91	119.4 Å²	119.4	75%	0.752	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-10.3	-177.2	0	0	0	0	0	113.2	L7	L7-A9 HydrophobicContact CB-CB 4.04Å; L7-A9 PolarHBondContact O-N 3.44Å
10	S	33.5	Very low	42.2	Very low	105 Å²	105	118.7 Å²	118.7	73%	0.734	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.7	49.3	179.3	61.6	0	0	0	0	111.8	C8 G12	C8-S10 VanDerWaalsContact C-N 3.32Å; S10-G12 PolarHBondContact O-N 3.14Å
11	I	43.9	Very low	43.9	Very low	97 Å²	97	117.8 Å²	117.8	50%	0.497	64%	0.636	S	S	.	*			trans	-74.3	86.4	164.4	-59	177.6	0	0	0	107.6	C8	C8-I11 HydrophobicContact CB-CD1 4.06Å; C8-I11 HydrophobicContact CB-CG1 4.29Å
12	G	33.4	Very low	46.3	Very low	39 Å²	39	108.1 Å²	108.1	40%	0.402	59%	0.588	S	S	.	*			trans	-65	147.5	163.1	0	0	0	0	0	110	S10 D14	S10-G12 PolarHBondContact O-N 3.14Å; G12-D14 PolarHBondContact O-N 3.05Å
13	V	40.3	Very low	49	Very low	144 Å²	144	108.2 Å²	108.2	87%	0.873	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-11.8	-171.3	-179.8	0	0	0	0	112.8
14	D	37.6	Very low	51.6	Low	160 Å²	160	105.2 Å²	105.2	86%	0.856	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-16.8	-176.7	-63.2	-61.9	0	0	0	114.6	G12 Q16	G12-D14 PolarHBondContact O-N 3.05Å; D14-Q16 PolarHBondContact O-N 3Å
15	D	43.6	Very low	54.2	Low	132 Å²	132	99.1 Å²	99.1	71%	0.706	54%	0.537	S	S	*	.			trans	-78.3	116.2	176.7	-81.1	-38.4	0	0	0	111.1	Y17	D15-Y17 VanDerWaalsContact C-N 3.31Å; D15-Y17 PolarHBondContact O-N 2.91Å
16	Q	49.8	Very low	56.7	Low	193 Å²	193	96.8 Å²	96.8	90%	0.902	53%	0.525	S	S	*	.			trans	-67.3	93.1	162.8	-75.7	-169.3	-7.7	0	0	109.1	D14 D18	D14-Q16 PolarHBondContact O-N 3Å; Q16-D18 PolarHBondContact O-N 2.89Å
17	Y	58.4	Low	59.2	Low	112 Å²	112	95 Å²	95	44%	0.439	52%	0.516	S	S	.	.			trans	-50	108.3	176.8	-149.6	-87.4	0	0	0	110.2	D15 F19	D15-Y17 VanDerWaalsContact C-N 3.31Å; D15-Y17 PolarHBondContact O-N 2.91Å; Y17-F19 HydrophobicContact CD1-CE1 4.47Å; Y17-F19 HydrophobicContact CD1-CZ 4.34Å; Y17-F19 WeakPolarHBondContact O-CD2 3.29Å; Y17-F19 WeakPolarHBondContact O-CE2 3.41Å; Y17-F19 PolarHBondContact O-N 3.17Å
18	D	65.6	Low	61.9	Low	86 Å²	86	93.2 Å²	93.2	46%	0.46	51%	0.506	S	S	.	.			trans	-79.2	93.7	-171.2	-172	21.2	0	0	0	112.1	Q16 Q20 E21 F22	Q16-D18 PolarHBondContact O-N 2.89Å; D18-Q20 PolarHBondContact O-N 3.4Å; D18-Q20 WeakPolarHBondContact OD1-CA 3.27Å; D18-Q20 WeakPolarHBondContact OD1-CB 3.44Å; D18-Q20 PolarHBondContact OD1-N 2.92Å; D18-E21 HydrophobicContact CB-CB 4.05Å; D18-E21 PolarHBondContact O-N 3.44Å; D18-E21 WeakPolarHBondContact OD2-CB 3.25Å; D18-E21 PolarHBondContact OD2-N 3.24Å; D18-F22 PolarHBondContact O-N 2.71Å
19	F	70.6	Confident	64.4	Low	38 Å²	38	92.7 Å²	92.7	17%	0.167	50%	0.499	C	S	.	.	H	α-helix	trans	-64.3	-11.3	171.4	-61.1	-89.6	0	0	0	112.9	Y17 R23 L153 Q157	Y17-F19 HydrophobicContact CD1-CE1 4.47Å; Y17-F19 HydrophobicContact CD1-CZ 4.34Å; Y17-F19 WeakPolarHBondContact O-CD2 3.29Å; Y17-F19 WeakPolarHBondContact O-CE2 3.41Å; Y17-F19 PolarHBondContact O-N 3.17Å; F19-R23 WeakPolarHBondContact O-CB 3.46Å; F19-R23 WeakPolarHBondContact O-CG 3.4Å; F19-R23 PolarHBondContact O-N 3.46Å; F19-R23 PolarHBondContact O-NE 2.89Å; F19-L153 HydrophobicContact CD1-CB 4.21Å; F19-L153 HydrophobicContact CD1-CD1 4.48Å; F19-L153 HydrophobicContact CE1-CB 3.99Å; F19-L153 HydrophobicContact CE1-CD2 4.16Å; F19-L153 HydrophobicContact CE1-CG 4.47Å; F19-Q157 HydrophobicContact CD2-CG 4.17Å; F19-Q157 HydrophobicContact CE1-CG 4.1Å; F19-Q157 HydrophobicContact CE2-CG 3.64Å; F19-Q157 HydrophobicContact CZ-CG 3.6Å
20	Q	72.9	Confident	67.3	Low	105 Å²	105	89.7 Å²	89.7	49%	0.491	47%	0.47	S	S	.	.	H	α-helix	trans	-76.6	-53.6	167.4	-170	62.4	19.7	0	0	110.9	D18 F22 R23 T24	D18-Q20 PolarHBondContact O-N 3.4Å; D18-Q20 WeakPolarHBondContact OD1-CA 3.27Å; D18-Q20 WeakPolarHBondContact OD1-CB 3.44Å; D18-Q20 PolarHBondContact OD1-N 2.92Å; Q20-F22 VanDerWaalsContact C-N 3.3Å; Q20-F22 PolarHBondContact O-N 3.39Å; Q20-R23 PolarHBondContact O-N 2.77Å; Q20-R23 VanDerWaalsContact O-N 3.13Å; Q20-T24 PolarHBondContact O-N 2.86Å; Q20-T24 PolarHBondContact O-OG1 2.72Å
21	E	77.9	Confident	70.2	Confident	101 Å²	101	90.3 Å²	90.3	47%	0.472	46%	0.459	S	S	.	.	H	α-helix	trans	-54.1	-44.3	173.9	-163.1	-163	161	0	0	112.4	D18 R23 T24 K25	D18-E21 HydrophobicContact CB-CB 4.05Å; D18-E21 PolarHBondContact O-N 3.44Å; D18-E21 WeakPolarHBondContact OD2-CB 3.25Å; D18-E21 PolarHBondContact OD2-N 3.24Å; E21-R23 PolarHBondContact O-N 2.73Å; E21-T24 PolarHBondContact O-N 2.84Å; E21-K25 HydrophobicContact CG-CD 4.41Å; E21-K25 PolarHBondContact O-N 3.36Å; E21-K25 WeakPolarHBondContact OE1-CE 3.24Å; E21-K25 IonicContact OE1-NZ 2.87Å; E21-K25 PolarHBondContact OE1-NZ 2.83Å
22	F	80.8	Confident	72.7	Confident	34 Å²	34	89.4 Å²	89.4	15%	0.149	46%	0.461	C	S	.	.	H	α-helix	trans	-60.1	-44.2	176.5	-178.4	-91.7	0	0	0	112.5	D18 Q20 K25 M26 L153 L240 F244	D18-F22 PolarHBondContact O-N 2.71Å; Q20-F22 VanDerWaalsContact C-N 3.3Å; Q20-F22 PolarHBondContact O-N 3.39Å; F22-K25 PolarHBondContact O-N 3.18Å; F22-M26 HydrophobicContact CD1-CG 4.33Å; F22-M26 HydrophobicContact CE1-CE 3.85Å; F22-M26 HydrophobicContact CE1-CG 3.9Å; F22-M26 HydrophobicContact CE2-CE 4.14Å; F22-M26 HydrophobicContact CZ-CE 3.36Å; F22-M26 HydrophobicContact CZ-CG 4.24Å; F22-M26 WeakPolarHBondContact O-CG 3.49Å; F22-M26 PolarHBondContact O-N 2.83Å; F22-L153 HydrophobicContact CD1-CD1 3.76Å; F22-L153 HydrophobicContact CE1-CD1 3.33Å; F22-L153 HydrophobicContact CZ-CD1 3.89Å; F22-L240 HydrophobicContact CE2-CD2 4.01Å; F22-L240 HydrophobicContact CZ-CD2 3.52Å; F22-F244 HydrophobicContact CE2-CE2 4.46Å
23	R	79.6	Confident	75.7	Confident	122 Å²	122	88.2 Å²	88.2	46%	0.46	45%	0.445	S	S	.	.	H	α-helix	trans	-67.5	-35.6	177.3	-77.7	-178.5	-61.1	173.3	4.4	112.4	F19 Q20 E21 M26 S27 N150	F19-R23 WeakPolarHBondContact O-CB 3.46Å; F19-R23 WeakPolarHBondContact O-CG 3.4Å; F19-R23 PolarHBondContact O-N 3.46Å; F19-R23 PolarHBondContact O-NE 2.89Å; Q20-R23 PolarHBondContact O-N 2.77Å; Q20-R23 VanDerWaalsContact O-N 3.13Å; E21-R23 PolarHBondContact O-N 2.73Å; R23-M26 PolarHBondContact O-N 3.23Å; R23-S27 PolarHBondContact O-N 3.2Å; R23-N150 WeakPolarHBondContact CG-OD1 3.21Å
24	T	85.7	Confident	78.3	Confident	66 Å²	66	81.7 Å²	81.7	41%	0.405	41%	0.407	S	S	.	.	H	α-helix	trans	-61.7	-50.5	172.5	-61.2	0	0	0	0	110.5	Q20 E21 M26 S27 D28	Q20-T24 PolarHBondContact O-N 2.86Å; Q20-T24 PolarHBondContact O-OG1 2.72Å; E21-T24 PolarHBondContact O-N 2.84Å; T24-M26 PolarHBondContact O-N 3.48Å; T24-S27 WeakPolarHBondContact O-CA 3.2Å; T24-S27 WeakPolarHBondContact O-CB 3.24Å; T24-S27 PolarHBondContact O-N 3.48Å; T24-D28 PolarHBondContact O-N 2.96Å
25	K	84.7	Confident	81.2	Confident	110 Å²	110	77.3 Å²	77.3	48%	0.478	38%	0.384	S	S	.	.	H	α-helix	trans	-58.2	-31.4	175.8	-75.9	169.7	167.5	169.7	0	113.7	E21 F22 Q29	E21-K25 HydrophobicContact CG-CD 4.41Å; E21-K25 PolarHBondContact O-N 3.36Å; E21-K25 WeakPolarHBondContact OE1-CE 3.24Å; E21-K25 IonicContact OE1-NZ 2.87Å; E21-K25 PolarHBondContact OE1-NZ 2.83Å; F22-K25 PolarHBondContact O-N 3.18Å; K25-Q29 WeakPolarHBondContact O-CG 3.47Å; K25-Q29 PolarHBondContact O-N 3.49Å; K25-Q29 PolarHBondContact O-NE2 3Å
26	M	87.1	Confident	83.6	Confident	4 Å²	4	76.1 Å²	76.1	2%	0.02	37%	0.369	C	S	.	.	H	α-helix	trans	-72.9	-36.3	172.2	-74.8	-63.2	-166.8	0	0	112.8	F22 R23 T24 Q29 H146 L149 F243 F244	F22-M26 HydrophobicContact CD1-CG 4.33Å; F22-M26 HydrophobicContact CE1-CE 3.85Å; F22-M26 HydrophobicContact CE1-CG 3.9Å; F22-M26 HydrophobicContact CE2-CE 4.14Å; F22-M26 HydrophobicContact CZ-CE 3.36Å; F22-M26 HydrophobicContact CZ-CG 4.24Å; F22-M26 WeakPolarHBondContact O-CG 3.49Å; F22-M26 PolarHBondContact O-N 2.83Å; R23-M26 PolarHBondContact O-N 3.23Å; T24-M26 PolarHBondContact O-N 3.48Å; M26-Q29 PolarHBondContact SD-NE2 3.3Å; M26-Q29 VanDerWaalsContact SD-NE2 3.36Å; M26-H146 PolarHBondContact O-CE1 3.23Å; M26-H146 PolarHBondContact O-ND1 2.95Å; M26-H146 VanDerWaalsContact O-ND1 3.15Å; M26-L149 HydrophobicContact CE-CD1 3.52Å; M26-F243 HydrophobicContact CE-CD1 4.07Å; M26-F243 HydrophobicContact CE-CE1 3.97Å; M26-F243 HydrophobicContact SD-CE1 4.12Å; M26-F244 HydrophobicContact CE-CE1 4.28Å; M26-F244 HydrophobicContact CE-CE2 3.77Å; M26-F244 HydrophobicContact CE-CZ 3.41Å; M26-F244 VanDerWaalsContact CE-CZ 3.41Å; M26-F244 HydrophobicContact SD-CZ 4.26Å
27	S	87.3	Confident	85.8	Confident	79 Å²	79	67 Å²	67	55%	0.552	33%	0.326	S	S	*	.	H	α-helix	trans	-65.1	-41.9	172.3	-169.7	0	0	0	0	111.7	R23 T24 Q29 L30 K31	R23-S27 PolarHBondContact O-N 3.2Å; T24-S27 WeakPolarHBondContact O-CA 3.2Å; T24-S27 WeakPolarHBondContact O-CB 3.24Å; T24-S27 PolarHBondContact O-N 3.48Å; S27-Q29 VanDerWaalsContact C-N 3.31Å; S27-Q29 PolarHBondContact O-N 3.25Å; S27-L30 PolarHBondContact O-N 3.26Å; S27-K31 PolarHBondContact O-N 3Å
28	D	93.3	Very high	87.7	Confident	86 Å²	86	66.1 Å²	66.1	46%	0.46	33%	0.329	S	S	.	.	H	α-helix	trans	-66.8	-30.3	-179.2	-66.4	-34.5	0	0	0	112.7	T24 K31 C32	T24-D28 PolarHBondContact O-N 2.96Å; D28-K31 PolarHBondContact O-N 3.41Å; D28-C32 WeakPolarHBondContact O-CB 3.21Å; D28-C32 PolarHBondContact O-N 2.91Å
29	Q	93.9	Very high	89.2	Confident	42 Å²	42	66.5 Å²	66.5	20%	0.196	34%	0.335	C	S	.	.	H	α-helix	trans	-61	-47.7	172.7	-79.1	165.3	64.4	0	0	112.3	K25 M26 S27 K31 C32 L33	K25-Q29 WeakPolarHBondContact O-CG 3.47Å; K25-Q29 PolarHBondContact O-N 3.49Å; K25-Q29 PolarHBondContact O-NE2 3Å; M26-Q29 PolarHBondContact SD-NE2 3.3Å; M26-Q29 VanDerWaalsContact SD-NE2 3.36Å; S27-Q29 VanDerWaalsContact C-N 3.31Å; S27-Q29 PolarHBondContact O-N 3.25Å; Q29-K31 VanDerWaalsContact C-N 3.29Å; Q29-K31 PolarHBondContact O-N 3.19Å; Q29-C32 PolarHBondContact O-N 2.76Å; Q29-L33 WeakPolarHBondContact O-CG 3.42Å; Q29-L33 PolarHBondContact O-N 2.77Å
30	L	93.9	Very high	90.4	Very high	28 Å²	28	66.8 Å²	66.8	15%	0.147	34%	0.337	C	S	.	.	H	α-helix	trans	-66.7	-33.6	178.1	-59	-176.9	0	0	0	111.7	S27 L33 G34 R139	S27-L30 PolarHBondContact O-N 3.26Å; L30-L33 PolarHBondContact O-N 3.42Å; L30-G34 PolarHBondContact O-N 2.88Å; L30-G34 VanDerWaalsContact O-N 3.15Å; L30-R139 VanDerWaalsContact O-CD 3.25Å; L30-R139 WeakPolarHBondContact O-CD 3.16Å
31	K	95.1	Very high	91.5	Very high	118 Å²	118	64.4 Å²	64.4	51%	0.513	33%	0.326	S	S	.	.	H	α-helix	trans	-63.3	-47.9	171.6	-169.2	-166.3	175.4	-59	0	111	S27 D28 Q29 L33 G34 D35	S27-K31 PolarHBondContact O-N 3Å; D28-K31 PolarHBondContact O-N 3.41Å; Q29-K31 VanDerWaalsContact C-N 3.29Å; Q29-K31 PolarHBondContact O-N 3.19Å; K31-L33 VanDerWaalsContact C-N 3.27Å; K31-L33 PolarHBondContact O-N 3Å; K31-G34 CarbonylContact O-C 3.57Å; K31-G34 WeakPolarHBondContact O-CA 3.44Å; K31-G34 PolarHBondContact O-N 3.48Å; K31-D35 IonicContact NZ-OD1 2.7Å; K31-D35 PolarHBondContact NZ-OD1 3.17Å; K31-D35 IonicContact NZ-OD2 2.68Å; K31-D35 PolarHBondContact NZ-OD2 2.76Å; K31-D35 VanDerWaalsContact O-CG 3.28Å; K31-D35 PolarHBondContact O-N 3.36Å
32	C	96.3	Very high	92.5	Very high	79 Å²	79	62.5 Å²	62.5	53%	0.534	32%	0.324	S	S	.	.	H	α-helix	trans	-60.2	-34.2	178.8	-171.7	0	0	0	0	112.9	D28 Q29 R36	D28-C32 WeakPolarHBondContact O-CB 3.21Å; D28-C32 PolarHBondContact O-N 2.91Å; Q29-C32 PolarHBondContact O-N 2.76Å; C32-R36 WeakPolarHBondContact O-CB 3.44Å; C32-R36 PolarHBondContact O-N 3.46Å
33	L	95.5	Very high	93.2	Very high	14 Å²	14	64.1 Å²	64.1	7%	0.073	34%	0.339	C	S	.	.	H	α-helix	trans	-69.5	-31.9	171.8	-68.3	176.4	0	0	0	112.5	Q29 L30 K31 T37 R139 L248 I252 M255	Q29-L33 WeakPolarHBondContact O-CG 3.42Å; Q29-L33 PolarHBondContact O-N 2.77Å; L30-L33 PolarHBondContact O-N 3.42Å; K31-L33 VanDerWaalsContact C-N 3.27Å; K31-L33 PolarHBondContact O-N 3Å; L33-T37 PolarHBondContact O-N 2.81Å; L33-R139 HydrophobicContact CB-CG 4.37Å; L33-L248 HydrophobicContact CD1-CD1 4.46Å; L33-I252 HydrophobicContact CD2-CD1 4.23Å; L33-I252 HydrophobicContact CD2-CG1 3.76Å; L33-M255 HydrophobicContact CB-CE 4.31Å; L33-M255 HydrophobicContact CB-SD 4.38Å; L33-M255 HydrophobicContact CD2-SD 4.36Å
34	G	95.9	Very high	94.1	Very high	6 Å²	6	58.8 Å²	58.8	6%	0.062	32%	0.32	C	S	.	.	H	α-helix	trans	-66.7	-55.3	169.8	0	0	0	0	0	111.8	L30 K31 R36 T37 D38	L30-G34 PolarHBondContact O-N 2.88Å; L30-G34 VanDerWaalsContact O-N 3.15Å; K31-G34 CarbonylContact O-C 3.57Å; K31-G34 WeakPolarHBondContact O-CA 3.44Å; K31-G34 PolarHBondContact O-N 3.48Å; G34-R36 PolarHBondContact O-N 3.23Å; G34-R36 VanDerWaalsContact O-N 3.17Å; G34-T37 PolarHBondContact O-N 2.78Å; G34-D38 PolarHBondContact O-N 2.74Å
35	D	97	Very high	94.6	Very high	69 Å²	69	58.5 Å²	58.5	37%	0.369	32%	0.321	S	S	.	.	H	α-helix	trans	-54.3	-36.8	178.7	-57.7	-23.3	0	0	0	111.5	K31 V39	K31-D35 IonicContact NZ-OD1 2.7Å; K31-D35 PolarHBondContact NZ-OD1 3.17Å; K31-D35 IonicContact NZ-OD2 2.68Å; K31-D35 PolarHBondContact NZ-OD2 2.76Å; K31-D35 VanDerWaalsContact O-CG 3.28Å; K31-D35 PolarHBondContact O-N 3.36Å; D35-V39 WeakPolarHBondContact O-CG2 2.97Å; D35-V39 PolarHBondContact O-N 3.26Å
36	R	95.4	Very high	95.2	Very high	106 Å²	106	59.1 Å²	59.1	40%	0.4	33%	0.325	S	S	.	.	H	α-helix	trans	-60.2	-48.2	172.2	176.2	-172.3	175.7	109.7	-8.6	112.5	C32 G34 V39 Q40 D256	C32-R36 WeakPolarHBondContact O-CB 3.44Å; C32-R36 PolarHBondContact O-N 3.46Å; G34-R36 PolarHBondContact O-N 3.23Å; G34-R36 VanDerWaalsContact O-N 3.17Å; R36-V39 PolarHBondContact O-N 3.39Å; R36-Q40 WeakPolarHBondContact O-CG 3.13Å; R36-Q40 PolarHBondContact O-N 2.89Å; R36-D256 IonicContact CZ-OD2 3.71Å; R36-D256 IonicContact NE-OD2 2.66Å; R36-D256 IonicContact NH2-OD1 2.63Å; R36-D256 IonicContact NH2-OD2 2.61Å; R36-D256 PolarHBondContact NH2-OD2 2.95Å
37	T	96	Very high	95.7	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.006	34%	0.338	C	S	.	.	H	α-helix	trans	-66.7	-38.9	179.4	-70.6	0	0	0	0	111.7	L33 G34 V39 Q40 M41 L131 S135 M255	L33-T37 PolarHBondContact O-N 2.81Å; G34-T37 PolarHBondContact O-N 2.78Å; T37-V39 VanDerWaalsContact C-N 3.27Å; T37-V39 PolarHBondContact O-N 3.37Å; T37-Q40 WeakPolarHBondContact O-CB 3.03Å; T37-Q40 PolarHBondContact O-N 2.91Å; T37-Q40 VanDerWaalsContact O-N 3.13Å; T37-M41 HydrophobicContact CG2-CG 4.18Å; T37-M41 HydrophobicContact CG2-SD 3.8Å; T37-M41 WeakPolarHBondContact O-CB 3Å; T37-M41 WeakPolarHBondContact O-CG 3.4Å; T37-M41 PolarHBondContact O-N 3.24Å; T37-L131 HydrophobicContact CG2-CD2 4.42Å; T37-L131 HydrophobicContact CG2-CG 4.02Å; T37-S135 WeakPolarHBondContact CB-OG 3.4Å; T37-S135 VanDerWaalsContact OG1-CB 3.26Å; T37-S135 WeakPolarHBondContact OG1-CB 3.01Å; T37-S135 PolarHBondContact OG1-OG 3.27Å; T37-M255 WeakPolarHBondContact OG1-CE 3.33Å
38	D	97	Very high	96.3	Very high	94 Å²	94	58.9 Å²	58.9	50%	0.503	32%	0.317	S	S	.	.	H	α-helix	trans	-63.2	-36.9	178.8	-63	-17.5	0	0	0	110.9	G34 M41 S42	G34-D38 PolarHBondContact O-N 2.74Å; D38-M41 PolarHBondContact O-N 3.4Å; D38-S42 PolarHBondContact O-N 3.06Å
39	V	97	Very high	96.5	Very high	95 Å²	95	56.9 Å²	56.9	58%	0.576	31%	0.306	S	S	*	.	H	α-helix	trans	-64.5	-46.5	170.4	171.3	0	0	0	0	111.9	D35 R36 T37 M41 S42 S43	D35-V39 WeakPolarHBondContact O-CG2 2.97Å; D35-V39 PolarHBondContact O-N 3.26Å; R36-V39 PolarHBondContact O-N 3.39Å; T37-V39 VanDerWaalsContact C-N 3.27Å; T37-V39 PolarHBondContact O-N 3.37Å; V39-M41 VanDerWaalsContact C-N 3.3Å; V39-M41 PolarHBondContact O-N 2.76Å; V39-S42 WeakPolarHBondContact O-CB 3.05Å; V39-S42 PolarHBondContact O-N 3.06Å; V39-S43 PolarHBondContact O-N 3.48Å; V39-S43 PolarHBondContact O-OG 3.4Å
40	Q	95.6	Very high	96.7	Very high	43 Å²	43	61.1 Å²	61.1	20%	0.201	32%	0.321	C	S	.	.	H	α-helix	trans	-58.7	-42.2	176.2	-71.2	172.5	-44.7	0	0	111.7	R36 T37 S43 L44 L131 D256	R36-Q40 WeakPolarHBondContact O-CG 3.13Å; R36-Q40 PolarHBondContact O-N 2.89Å; T37-Q40 WeakPolarHBondContact O-CB 3.03Å; T37-Q40 PolarHBondContact O-N 2.91Å; T37-Q40 VanDerWaalsContact O-N 3.13Å; Q40-S43 PolarHBondContact O-N 2.88Å; Q40-L44 WeakPolarHBondContact O-CG 3.16Å; Q40-L44 PolarHBondContact O-N 3.08Å; Q40-L131 HydrophobicContact CB-CD2 3.81Å; Q40-D256 PolarHBondContact NE2-OD1 3.01Å
41	M	97	Very high	96.9	Very high	56 Å²	56	60.3 Å²	60.3	28%	0.276	32%	0.317	S	S	.	.	H	α-helix	trans	-66.5	-37.2	176.4	-72.5	175.3	59.1	0	0	112.5	T37 D38 V39 L44 S45 L131 A132	T37-M41 HydrophobicContact CG2-CG 4.18Å; T37-M41 HydrophobicContact CG2-SD 3.8Å; T37-M41 WeakPolarHBondContact O-CB 3Å; T37-M41 WeakPolarHBondContact O-CG 3.4Å; T37-M41 PolarHBondContact O-N 3.24Å; D38-M41 PolarHBondContact O-N 3.4Å; V39-M41 VanDerWaalsContact C-N 3.3Å; V39-M41 PolarHBondContact O-N 2.76Å; M41-L44 PolarHBondContact O-N 3.4Å; M41-S45 WeakPolarHBondContact O-CB 3.45Å; M41-S45 PolarHBondContact O-N 2.91Å; M41-L131 HydrophobicContact CG-CD2 4.08Å; M41-A132 HydrophobicContact CE-CB 4.03Å; M41-A132 HydrophobicContact SD-CB 3.82Å
42	S	97.7	Very high	97	Very high	60 Å²	60	58.7 Å²	58.7	42%	0.42	31%	0.307	S	S	.	.	H	α-helix	trans	-60.1	-49.5	172.2	-167.9	0	0	0	0	111.1	D38 V39 L44 S45 E46	D38-S42 PolarHBondContact O-N 3.06Å; V39-S42 WeakPolarHBondContact O-CB 3.05Å; V39-S42 PolarHBondContact O-N 3.06Å; S42-L44 VanDerWaalsContact C-N 3.3Å; S42-L44 PolarHBondContact O-N 3.45Å; S42-S45 WeakPolarHBondContact O-CB 3.48Å; S42-S45 PolarHBondContact O-N 3.26Å; S42-E46 WeakPolarHBondContact O-CG 3.31Å; S42-E46 PolarHBondContact O-N 3.08Å; S42-E46 PolarHBondContact OG-OE1 3.36Å; S42-E46 VanDerWaalsContact OG-OE1 3.08Å
43	S	96.8	Very high	97.1	Very high	68 Å²	68	59.9 Å²	59.9	48%	0.476	30%	0.303	S	S	.	.	H	α-helix	trans	-61.7	-36.2	178.5	-55.9	0	0	0	0	113	V39 Q40 L47	V39-S43 PolarHBondContact O-N 3.48Å; V39-S43 PolarHBondContact O-OG 3.4Å; Q40-S43 PolarHBondContact O-N 2.88Å; S43-L47 WeakPolarHBondContact O-CB 3.27Å; S43-L47 PolarHBondContact O-N 3.11Å
44	L	97.2	Very high	97.2	Very high	11 Å²	11	63.9 Å²	63.9	6%	0.058	32%	0.318	C	S	.	.	H	α-helix	trans	-69.9	-37.1	172.7	-68.9	174.5	0	0	0	112.2	Q40 M41 S42 L47 Q48 I124 C128 L131 M259 W262	Q40-L44 WeakPolarHBondContact O-CG 3.16Å; Q40-L44 PolarHBondContact O-N 3.08Å; M41-L44 PolarHBondContact O-N 3.4Å; S42-L44 VanDerWaalsContact C-N 3.3Å; S42-L44 PolarHBondContact O-N 3.45Å; L44-L47 PolarHBondContact O-N 3.06Å; L44-Q48 WeakPolarHBondContact O-CB 3.46Å; L44-Q48 PolarHBondContact O-N 3.47Å; L44-I124 HydrophobicContact CB-CG2 4.07Å; L44-I124 VanDerWaalsContact O-CG2 3.24Å; L44-I124 WeakPolarHBondContact O-CG2 3.48Å; L44-C128 WeakPolarHBondContact CB-SG 3.43Å; L44-L131 HydrophobicContact CD1-CD2 4.12Å; L44-M259 HydrophobicContact CD1-CE 4.11Å; L44-M259 HydrophobicContact CD2-CE 4.43Å; L44-W262 HydrophobicContact CD2-CH2 4.01Å; L44-W262 HydrophobicContact CD2-CZ3 3.77Å
45	S	97.3	Very high	97.3	Very high	60 Å²	60	63.7 Å²	63.7	42%	0.42	32%	0.315	S	S	.	.	H	α-helix	trans	-64.7	-43	175.1	-172.8	0	0	0	0	111.7	M41 S42 L47 Q48 D49	M41-S45 WeakPolarHBondContact O-CB 3.45Å; M41-S45 PolarHBondContact O-N 2.91Å; S42-S45 WeakPolarHBondContact O-CB 3.48Å; S42-S45 PolarHBondContact O-N 3.26Å; S45-L47 VanDerWaalsContact C-N 3.34Å; S45-L47 PolarHBondContact O-N 3.46Å; S45-Q48 WeakPolarHBondContact O-CB 3.26Å; S45-Q48 PolarHBondContact O-N 3.39Å; S45-D49 WeakPolarHBondContact O-CB 3.16Å; S45-D49 PolarHBondContact O-N 3.02Å
46	E	98.1	Very high	97.4	Very high	123 Å²	123	65.8 Å²	65.8	58%	0.575	32%	0.323	S	S	*	.	H	α-helix	trans	-61.2	-40.5	173.2	-70.7	166.7	-124.9	0	0	112	S42 D49 Y50	S42-E46 WeakPolarHBondContact O-CG 3.31Å; S42-E46 PolarHBondContact O-N 3.08Å; S42-E46 PolarHBondContact OG-OE1 3.36Å; S42-E46 VanDerWaalsContact OG-OE1 3.08Å; E46-D49 PolarHBondContact O-N 3.45Å; E46-Y50 PolarHBondContact O-N 3.33Å
47	L	97.4	Very high	97.5	Very high	53 Å²	53	65.1 Å²	65.1	28%	0.277	33%	0.326	S	S	.	.	H	α-helix	trans	-65.8	-39.3	173.9	-173.1	65.2	0	0	0	112.2	S43 L44 S45 Y50 F51 I124 L266	S43-L47 WeakPolarHBondContact O-CB 3.27Å; S43-L47 PolarHBondContact O-N 3.11Å; L44-L47 PolarHBondContact O-N 3.06Å; S45-L47 VanDerWaalsContact C-N 3.34Å; S45-L47 PolarHBondContact O-N 3.46Å; L47-Y50 PolarHBondContact O-N 3.14Å; L47-F51 HydrophobicContact CD1-CD2 4.12Å; L47-F51 HydrophobicContact CD1-CE2 3.61Å; L47-F51 HydrophobicContact CD1-CZ 4.49Å; L47-F51 HydrophobicContact CD2-CE2 4.41Å; L47-F51 HydrophobicContact CG-CD2 4.04Å; L47-F51 HydrophobicContact CG-CE2 3.82Å; L47-F51 VanDerWaalsContact O-CD2 3.26Å; L47-F51 WeakPolarHBondContact O-CD2 3.48Å; L47-F51 PolarHBondContact O-N 3.42Å; L47-I124 HydrophobicContact CD2-CD1 4.45Å; L47-I124 HydrophobicContact CG-CD1 4.24Å; L47-L266 HydrophobicContact CD2-CD2 4.16Å
48	Q	98	Very high	97.5	Very high	24 Å²	24	65.6 Å²	65.6	11%	0.112	33%	0.329	C	S	.	.	H	α-helix	trans	-61.8	-45.8	174	-158.2	-149.5	37.8	0	0	110.7	L44 S45 Y50 F51 R52 T121 I124 E125	L44-Q48 WeakPolarHBondContact O-CB 3.46Å; L44-Q48 PolarHBondContact O-N 3.47Å; S45-Q48 WeakPolarHBondContact O-CB 3.26Å; S45-Q48 PolarHBondContact O-N 3.39Å; Q48-Y50 VanDerWaalsContact C-N 3.33Å; Q48-Y50 PolarHBondContact O-N 2.69Å; Q48-F51 PolarHBondContact O-N 2.71Å; Q48-R52 WeakPolarHBondContact O-CB 3.22Å; Q48-R52 PolarHBondContact O-N 3.24Å; Q48-T121 HydrophobicContact CG-CG2 4.12Å; Q48-T121 WeakPolarHBondContact CG-O 3.42Å; Q48-T121 PolarHBondContact NE2-O 3.43Å; Q48-I124 HydrophobicContact CB-CB 4.3Å; Q48-I124 HydrophobicContact CB-CD1 4.45Å; Q48-I124 HydrophobicContact CB-CG2 3.84Å; Q48-I124 HydrophobicContact CG-CB 4.17Å; Q48-I124 HydrophobicContact CG-CG2 4.2Å; Q48-E125 PolarHBondContact NE2-OE2 2.81Å
49	D	98.1	Very high	97.5	Very high	45 Å²	45	62.7 Å²	62.7	24%	0.241	32%	0.315	C	S	.	.	H	α-helix	trans	-62	-38.7	177.1	-112.9	48.6	0	0	0	112	S45 E46 R52 K53	S45-D49 WeakPolarHBondContact O-CB 3.16Å; S45-D49 PolarHBondContact O-N 3.02Å; E46-D49 PolarHBondContact O-N 3.45Å; D49-R52 IonicContact OD1-CZ 3.64Å; D49-R52 IonicContact OD1-NH1 2.83Å; D49-R52 PolarHBondContact OD1-NH1 3.33Å; D49-R52 IonicContact OD1-NH2 2.7Å; D49-R52 PolarHBondContact OD1-NH2 3.1Å; D49-R52 IonicContact OD2-NH1 3.25Å; D49-K53 WeakPolarHBondContact O-CB 3.25Å; D49-K53 VanDerWaalsContact O-CD 3.28Å; D49-K53 WeakPolarHBondContact O-CD 3.43Å; D49-K53 VanDerWaalsContact O-CG 3.23Å; D49-K53 WeakPolarHBondContact O-CG 3.4Å; D49-K53 PolarHBondContact O-N 3.05Å; D49-K53 VanDerWaalsContact OD2-CE 3.24Å; D49-K53 WeakPolarHBondContact OD2-CE 3.41Å; D49-K53 IonicContact OD2-NZ 2.71Å; D49-K53 PolarHBondContact OD2-NZ 3.17Å
50	Y	97.9	Very high	97.6	Very high	130 Å²	130	63.3 Å²	63.3	51%	0.51	31%	0.312	S	S	.	.	H	α-helix	trans	-61.4	-50.7	172.5	168	-96	0	0	0	111.8	E46 L47 Q48 R52 K53 R54	E46-Y50 PolarHBondContact O-N 3.33Å; L47-Y50 PolarHBondContact O-N 3.14Å; Q48-Y50 VanDerWaalsContact C-N 3.33Å; Q48-Y50 PolarHBondContact O-N 2.69Å; Y50-R52 VanDerWaalsContact C-N 3.34Å; Y50-R52 PolarHBondContact O-N 3.1Å; Y50-K53 PolarHBondContact O-N 3.02Å; Y50-R54 WeakPolarHBondContact O-CB 3.4Å; Y50-R54 PolarHBondContact O-N 3.33Å
51	F	98.2	Very high	97.7	Very high	12 Å²	12	65.9 Å²	65.9	5%	0.053	32%	0.32	C	S	.	.	H	α-helix	trans	-66.8	-33.8	179.3	-77.8	-64.8	0	0	0	112.8	L47 Q48 R54 G55 Y116 M120 T121 I124 V270	L47-F51 HydrophobicContact CD1-CD2 4.12Å; L47-F51 HydrophobicContact CD1-CE2 3.61Å; L47-F51 HydrophobicContact CD1-CZ 4.49Å; L47-F51 HydrophobicContact CD2-CE2 4.41Å; L47-F51 HydrophobicContact CG-CD2 4.04Å; L47-F51 HydrophobicContact CG-CE2 3.82Å; L47-F51 VanDerWaalsContact O-CD2 3.26Å; L47-F51 WeakPolarHBondContact O-CD2 3.48Å; L47-F51 PolarHBondContact O-N 3.42Å; Q48-F51 PolarHBondContact O-N 2.71Å; F51-R54 PolarHBondContact O-N 2.85Å; F51-G55 PolarHBondContact O-N 2.94Å; F51-Y116 AromaticContact CD1-CD1 4Å; F51-Y116 HydrophobicContact CD1-CD1 4Å; F51-Y116 HydrophobicContact CD1-CG 4.14Å; F51-Y116 HydrophobicContact CE1-CD1 4.27Å; F51-Y116 HydrophobicContact CE1-CE1 4.36Å; F51-Y116 CarbonylContact O-C 3.22Å; F51-M120 HydrophobicContact CB-CB 4.42Å; F51-M120 HydrophobicContact CD1-CE 4Å; F51-M120 HydrophobicContact CD1-SD 3.77Å; F51-M120 HydrophobicContact CD2-CE 4.07Å; F51-M120 HydrophobicContact CE1-CE 3.55Å; F51-M120 HydrophobicContact CE1-SD 3.7Å; F51-M120 HydrophobicContact CE2-CE 3.62Å; F51-M120 HydrophobicContact CG-CB 4.31Å; F51-M120 HydrophobicContact CG-CE 4.26Å; F51-M120 HydrophobicContact CG-SD 4.3Å; F51-M120 HydrophobicContact CZ-CE 3.36Å; F51-M120 HydrophobicContact CZ-SD 4.17Å; F51-T121 HydrophobicContact CB-CG2 4.46Å; F51-I124 HydrophobicContact CD2-CD1 3.71Å; F51-I124 HydrophobicContact CE2-CD1 4.32Å; F51-V270 HydrophobicContact CE1-CG2 3.79Å; F51-V270 HydrophobicContact CZ-CG2 3.91Å
52	R	98.3	Very high	97.7	Very high	83 Å²	83	63.2 Å²	63.2	31%	0.313	31%	0.308	S	S	.	.	H	α-helix	trans	-60.2	-54.6	173.3	-152	-173.6	-50.3	115.7	8.8	110.9	Q48 D49 Y50 R54 G55 E56 T121	Q48-R52 WeakPolarHBondContact O-CB 3.22Å; Q48-R52 PolarHBondContact O-N 3.24Å; D49-R52 IonicContact OD1-CZ 3.64Å; D49-R52 IonicContact OD1-NH1 2.83Å; D49-R52 PolarHBondContact OD1-NH1 3.33Å; D49-R52 IonicContact OD1-NH2 2.7Å; D49-R52 PolarHBondContact OD1-NH2 3.1Å; D49-R52 IonicContact OD2-NH1 3.25Å; Y50-R52 VanDerWaalsContact C-N 3.34Å; Y50-R52 PolarHBondContact O-N 3.1Å; R52-R54 VanDerWaalsContact C-N 3.35Å; R52-R54 PolarHBondContact O-N 2.84Å; R52-G55 PolarHBondContact O-N 3.36Å; R52-G55 VanDerWaalsContact O-N 3.15Å; R52-E56 WeakPolarHBondContact O-CG 3.4Å; R52-E56 PolarHBondContact O-N 3.02Å; R52-T121 HydrophobicContact CB-CG2 3.86Å; R52-T121 HydrophobicContact CG-CG2 4.15Å
53	K	98.3	Very high	97.7	Very high	104 Å²	104	62.6 Å²	62.6	45%	0.452	30%	0.303	S	S	.	.	H	α-helix	trans	-63.1	-36.9	179	-67.1	161.2	-162.9	164.2	0	112.4	D49 Y50 I57	D49-K53 WeakPolarHBondContact O-CB 3.25Å; D49-K53 VanDerWaalsContact O-CD 3.28Å; D49-K53 WeakPolarHBondContact O-CD 3.43Å; D49-K53 VanDerWaalsContact O-CG 3.23Å; D49-K53 WeakPolarHBondContact O-CG 3.4Å; D49-K53 PolarHBondContact O-N 3.05Å; D49-K53 VanDerWaalsContact OD2-CE 3.24Å; D49-K53 WeakPolarHBondContact OD2-CE 3.41Å; D49-K53 IonicContact OD2-NZ 2.71Å; D49-K53 PolarHBondContact OD2-NZ 3.17Å; Y50-K53 PolarHBondContact O-N 3.02Å; K53-I57 WeakPolarHBondContact O-CD1 3.43Å; K53-I57 VanDerWaalsContact O-CG1 3.29Å; K53-I57 WeakPolarHBondContact O-CG1 3.37Å; K53-I57 PolarHBondContact O-N 3.39Å; K53-I57 VanDerWaalsContact O-N 3.14Å
54	R	97.4	Very high	97.8	Very high	99 Å²	99	64.5 Å²	64.5	37%	0.374	30%	0.302	S	S	.	.	H	α-helix	trans	-66.7	-43.4	173.7	-170	71.3	-160	-170.8	5.3	111.3	Y50 F51 R52 E56 I57 E58 Y116	Y50-R54 WeakPolarHBondContact O-CB 3.4Å; Y50-R54 PolarHBondContact O-N 3.33Å; F51-R54 PolarHBondContact O-N 2.85Å; R52-R54 VanDerWaalsContact C-N 3.35Å; R52-R54 PolarHBondContact O-N 2.84Å; R54-E56 VanDerWaalsContact C-N 3.33Å; R54-E56 PolarHBondContact O-N 3.21Å; R54-I57 PolarHBondContact O-N 3.07Å; R54-E58 IonicContact CZ-OE1 2.9Å; R54-E58 IonicContact NE-OE1 2.99Å; R54-E58 PolarHBondContact NE-OE1 3.04Å; R54-E58 IonicContact NH2-OE1 2.69Å; R54-E58 PolarHBondContact NH2-OE1 3.43Å; R54-E58 WeakPolarHBondContact O-CG 3.43Å; R54-E58 PolarHBondContact O-N 3.47Å; R54-Y116 HydrophobicContact CB-CD2 4.09Å; R54-Y116 HydrophobicContact CG-CD2 3.51Å; R54-Y116 HydrophobicContact CG-CE2 3.66Å
55	G	97.9	Very high	97.8	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-61.5	-39.7	176.9	0	0	0	0	0	113.1	F51 R52 S59 G113	F51-G55 PolarHBondContact O-N 2.94Å; R52-G55 PolarHBondContact O-N 3.36Å; R52-G55 VanDerWaalsContact O-N 3.15Å; G55-S59 VanDerWaalsContact O-CB 3.32Å; G55-S59 WeakPolarHBondContact O-CB 3.37Å; G55-S59 PolarHBondContact O-N 3.21Å; G55-S59 PolarHBondContact O-OG 3.23Å; G55-G113 WeakPolarHBondContact CA-O 3.34Å; G55-G113 WeakPolarHBondContact O-CA 2.97Å
56	E	98	Very high	97.8	Very high	113 Å²	113	64.4 Å²	64.4	53%	0.528	30%	0.296	S	S	.	.	H	α-helix	trans	-58.7	-48	172.1	-71.5	160.6	-165.1	0	0	111.7	R52 R54 S59 E60	R52-E56 WeakPolarHBondContact O-CG 3.4Å; R52-E56 PolarHBondContact O-N 3.02Å; R54-E56 VanDerWaalsContact C-N 3.33Å; R54-E56 PolarHBondContact O-N 3.21Å; E56-S59 PolarHBondContact O-N 2.72Å; E56-E60 WeakPolarHBondContact O-CB 3.37Å; E56-E60 PolarHBondContact O-N 3.35Å
57	I	98.3	Very high	97.8	Very high	93 Å²	93	65 Å²	65	48%	0.477	30%	0.296	S	S	.	.	H	α-helix	trans	-62.9	-47.4	179.3	-69.1	164	0	0	0	112.1	K53 R54 S59 E60 Y61	K53-I57 WeakPolarHBondContact O-CD1 3.43Å; K53-I57 VanDerWaalsContact O-CG1 3.29Å; K53-I57 WeakPolarHBondContact O-CG1 3.37Å; K53-I57 PolarHBondContact O-N 3.39Å; K53-I57 VanDerWaalsContact O-N 3.14Å; R54-I57 PolarHBondContact O-N 3.07Å; I57-S59 VanDerWaalsContact C-N 3.31Å; I57-S59 PolarHBondContact O-N 2.94Å; I57-E60 PolarHBondContact O-N 3.29Å; I57-Y61 WeakPolarHBondContact O-CB 3.16Å; I57-Y61 PolarHBondContact O-N 2.78Å
58	E	97.1	Very high	97.7	Very high	11 Å²	11	66.6 Å²	66.6	5%	0.051	31%	0.305	C	S	.	.	H	α-helix	trans	-62.6	-39.4	178	-61.2	-65.9	165	0	0	111.3	R54 Y61 A62 L112 Y116	R54-E58 IonicContact CZ-OE1 2.9Å; R54-E58 IonicContact NE-OE1 2.99Å; R54-E58 PolarHBondContact NE-OE1 3.04Å; R54-E58 IonicContact NH2-OE1 2.69Å; R54-E58 PolarHBondContact NH2-OE1 3.43Å; R54-E58 WeakPolarHBondContact O-CG 3.43Å; R54-E58 PolarHBondContact O-N 3.47Å; E58-Y61 PolarHBondContact O-N 3Å; E58-A62 WeakPolarHBondContact O-CB 3.28Å; E58-A62 PolarHBondContact O-N 3Å; E58-L112 HydrophobicContact CG-CD2 3.95Å; E58-L112 HydrophobicContact CG-CG 4.35Å; E58-Y116 HydrophobicContact CG-CD2 4.28Å; E58-Y116 HydrophobicContact CG-CE2 4.42Å
59	S	97	Very high	97.6	Very high	32 Å²	32	65.8 Å²	65.8	22%	0.224	30%	0.301	C	S	.	.	H	α-helix	trans	-69.4	-37.4	177.5	-54.5	0	0	0	0	112.4	G55 E56 I57 C63	G55-S59 VanDerWaalsContact O-CB 3.32Å; G55-S59 WeakPolarHBondContact O-CB 3.37Å; G55-S59 PolarHBondContact O-N 3.21Å; G55-S59 PolarHBondContact O-OG 3.23Å; E56-S59 PolarHBondContact O-N 2.72Å; I57-S59 VanDerWaalsContact C-N 3.31Å; I57-S59 PolarHBondContact O-N 2.94Å; S59-C63 WeakPolarHBondContact O-CB 3.35Å; S59-C63 PolarHBondContact O-N 3.07Å
60	E	98	Very high	97.3	Very high	108 Å²	108	68.9 Å²	68.9	51%	0.505	31%	0.313	S	S	.	.	H	α-helix	trans	-67.9	-40.1	175.9	-157	-145	172.2	0	0	111.2	E56 I57 C63 K64	E56-E60 WeakPolarHBondContact O-CB 3.37Å; E56-E60 PolarHBondContact O-N 3.35Å; I57-E60 PolarHBondContact O-N 3.29Å; E60-C63 PolarHBondContact O-N 3.49Å; E60-K64 VanDerWaalsContact CD-CE 3.43Å; E60-K64 WeakPolarHBondContact O-CG 3.31Å; E60-K64 PolarHBondContact O-N 2.86Å; E60-K64 WeakPolarHBondContact OE1-CE 3.46Å; E60-K64 IonicContact OE1-NZ 2.76Å; E60-K64 PolarHBondContact OE1-NZ 3.37Å; E60-K64 IonicContact OE2-NZ 3.12Å; E60-K64 PolarHBondContact OE2-NZ 3.4Å
61	Y	97.8	Very high	97.2	Very high	97 Å²	97	66.5 Å²	66.5	38%	0.38	32%	0.315	S	S	.	.	H	α-helix	trans	-65	-45.7	174	-176.8	-126.5	0	0	0	111.7	I57 E58 C63 K64 L65 E105 R109	I57-Y61 WeakPolarHBondContact O-CB 3.16Å; I57-Y61 PolarHBondContact O-N 2.78Å; E58-Y61 PolarHBondContact O-N 3Å; Y61-C63 VanDerWaalsContact C-N 3.31Å; Y61-C63 PolarHBondContact O-N 2.7Å; Y61-K64 WeakPolarHBondContact O-CB 3.26Å; Y61-K64 PolarHBondContact O-N 3.13Å; Y61-K64 VanDerWaalsContact O-N 3.1Å; Y61-L65 HydrophobicContact CD1-CD1 4.1Å; Y61-L65 HydrophobicContact CD2-CG 4.37Å; Y61-L65 HydrophobicContact CE1-CD1 3.66Å; Y61-L65 HydrophobicContact CE1-CG 4.34Å; Y61-L65 HydrophobicContact CE2-CD1 4.22Å; Y61-L65 HydrophobicContact CE2-CD2 4.07Å; Y61-L65 HydrophobicContact CE2-CG 4.01Å; Y61-L65 PolarHBondContact O-N 3.31Å; Y61-E105 WeakPolarHBondContact CE1-OE1 3.24Å; Y61-R109 HydrophobicContact CD1-CB 4.5Å; Y61-R109 HydrophobicContact CD1-CG 3.89Å; Y61-R109 HydrophobicContact CE1-CG 4.09Å
62	A	97.6	Very high	96.8	Very high	1 Å²	1	68.7 Å²	68.7	1%	0.008	33%	0.327	C	S	.	.	H	α-helix	trans	-55.7	-44.6	172	0	0	0	0	0	112	E58 K64 L65 E66 Y106 R109 Q110	E58-A62 WeakPolarHBondContact O-CB 3.28Å; E58-A62 PolarHBondContact O-N 3Å; A62-K64 VanDerWaalsContact C-N 3.32Å; A62-K64 PolarHBondContact O-N 3.48Å; A62-L65 PolarHBondContact O-N 2.93Å; A62-E66 WeakPolarHBondContact O-CB 3.41Å; A62-E66 PolarHBondContact O-N 2.82Å; A62-Y106 WeakPolarHBondContact CB-O 3.48Å; A62-R109 HydrophobicContact CB-CB 3.91Å; A62-Q110 HydrophobicContact CB-CB 3.91Å
63	C	97.8	Very high	96.2	Very high	46 Å²	46	66.8 Å²	66.8	31%	0.311	33%	0.329	S	S	.	.	H	α-helix	trans	-63.1	-35.6	177.2	-169.3	0	0	0	0	112.7	S59 E60 Y61 K67	S59-C63 WeakPolarHBondContact O-CB 3.35Å; S59-C63 PolarHBondContact O-N 3.07Å; E60-C63 PolarHBondContact O-N 3.49Å; Y61-C63 VanDerWaalsContact C-N 3.31Å; Y61-C63 PolarHBondContact O-N 2.7Å; C63-K67 WeakPolarHBondContact O-CB 3.33Å; C63-K67 WeakPolarHBondContact O-CD 3.39Å; C63-K67 VanDerWaalsContact O-CG 3.23Å; C63-K67 WeakPolarHBondContact O-CG 3.29Å; C63-K67 PolarHBondContact O-N 3.46Å; C63-K67 VanDerWaalsContact O-N 3.12Å; C63-K67 WeakPolarHBondContact SG-CE 3.44Å; C63-K67 PolarHBondContact SG-NZ 2.91Å
64	K	98.1	Very high	95.7	Very high	108 Å²	108	67.5 Å²	67.5	47%	0.47	33%	0.334	S	S	.	.	H	α-helix	trans	-68.1	-47	174.8	-72	163.3	-178.3	167.1	0	111.6	E60 Y61 A62 K67 L68	E60-K64 VanDerWaalsContact CD-CE 3.43Å; E60-K64 WeakPolarHBondContact O-CG 3.31Å; E60-K64 PolarHBondContact O-N 2.86Å; E60-K64 WeakPolarHBondContact OE1-CE 3.46Å; E60-K64 IonicContact OE1-NZ 2.76Å; E60-K64 PolarHBondContact OE1-NZ 3.37Å; E60-K64 IonicContact OE2-NZ 3.12Å; E60-K64 PolarHBondContact OE2-NZ 3.4Å; Y61-K64 WeakPolarHBondContact O-CB 3.26Å; Y61-K64 PolarHBondContact O-N 3.13Å; Y61-K64 VanDerWaalsContact O-N 3.1Å; A62-K64 VanDerWaalsContact C-N 3.32Å; A62-K64 PolarHBondContact O-N 3.48Å; K64-K67 PolarHBondContact O-N 2.84Å; K64-L68 PolarHBondContact O-N 3.23Å
65	L	97.5	Very high	95.2	Very high	17 Å²	17	70.1 Å²	70.1	9%	0.089	35%	0.348	C	S	.	.	H	α-helix	trans	-63.4	-40.2	176	-67.7	178.1	0	0	0	112.3	Y61 A62 L68 S69 T102 E105 R109	Y61-L65 HydrophobicContact CD1-CD1 4.1Å; Y61-L65 HydrophobicContact CD2-CG 4.37Å; Y61-L65 HydrophobicContact CE1-CD1 3.66Å; Y61-L65 HydrophobicContact CE1-CG 4.34Å; Y61-L65 HydrophobicContact CE2-CD1 4.22Å; Y61-L65 HydrophobicContact CE2-CD2 4.07Å; Y61-L65 HydrophobicContact CE2-CG 4.01Å; Y61-L65 PolarHBondContact O-N 3.31Å; A62-L65 PolarHBondContact O-N 2.93Å; L65-L68 WeakPolarHBondContact O-CB 3.45Å; L65-L68 PolarHBondContact O-N 2.94Å; L65-S69 PolarHBondContact O-N 3.38Å; L65-T102 HydrophobicContact CB-CG2 4.42Å; L65-T102 HydrophobicContact CD2-CG2 4.24Å; L65-E105 HydrophobicContact CD1-CB 4.31Å; L65-E105 HydrophobicContact CD1-CG 3.97Å; L65-R109 HydrophobicContact CD1-CG 4.42Å
66	E	97.3	Very high	94.3	Very high	53 Å²	53	72.7 Å²	72.7	25%	0.248	36%	0.359	C	S	.	.	H	α-helix	trans	-61.9	-46.4	176.2	-174.9	-178.1	-125.4	0	0	111.4	A62 L68 S69 K70 Y106	A62-E66 WeakPolarHBondContact O-CB 3.41Å; A62-E66 PolarHBondContact O-N 2.82Å; E66-L68 VanDerWaalsContact C-N 3.31Å; E66-L68 PolarHBondContact O-N 3.49Å; E66-S69 PolarHBondContact O-N 2.99Å; E66-K70 HydrophobicContact CG-CD 3.82Å; E66-K70 VanDerWaalsContact CG-CE 3.4Å; E66-K70 HydrophobicContact CG-CG 4.28Å; E66-K70 WeakPolarHBondContact O-CB 3.46Å; E66-K70 WeakPolarHBondContact O-CG 3.37Å; E66-K70 PolarHBondContact O-N 3.07Å; E66-K70 VanDerWaalsContact OE1-CE 3.24Å; E66-K70 WeakPolarHBondContact OE1-CE 3.44Å; E66-K70 IonicContact OE1-NZ 2.74Å; E66-K70 PolarHBondContact OE1-NZ 2.83Å; E66-K70 IonicContact OE2-NZ 2.79Å; E66-K70 PolarHBondContact OE2-NZ 2.82Å; E66-Y106 HydrophobicContact CB-CD1 3.89Å; E66-Y106 HydrophobicContact CB-CD2 3.74Å; E66-Y106 HydrophobicContact CB-CE1 3.95Å; E66-Y106 HydrophobicContact CB-CE2 3.79Å; E66-Y106 HydrophobicContact CB-CG 3.83Å; E66-Y106 HydrophobicContact CG-CD1 4.27Å; E66-Y106 HydrophobicContact CG-CD2 4.15Å; E66-Y106 HydrophobicContact CG-CE1 3.79Å; E66-Y106 HydrophobicContact CG-CE2 3.66Å; E66-Y106 HydrophobicContact CG-CG 4.47Å; E66-Y106 VanDerWaalsContact CG-CZ 3.47Å; E66-Y106 WeakPolarHBondContact OE1-CE2 3.32Å; E66-Y106 PolarHBondContact OE1-OH 2.94Å
67	K	97.1	Very high	93.5	Very high	135 Å²	135	74.6 Å²	74.6	59%	0.587	37%	0.366	S	S	*	.	H	α-helix	trans	-60.2	-41.5	176.2	-75.4	164.2	-178.7	160.6	0	111.6	C63 K64 S71	C63-K67 WeakPolarHBondContact O-CB 3.33Å; C63-K67 WeakPolarHBondContact O-CD 3.39Å; C63-K67 VanDerWaalsContact O-CG 3.23Å; C63-K67 WeakPolarHBondContact O-CG 3.29Å; C63-K67 PolarHBondContact O-N 3.46Å; C63-K67 VanDerWaalsContact O-N 3.12Å; C63-K67 WeakPolarHBondContact SG-CE 3.44Å; C63-K67 PolarHBondContact SG-NZ 2.91Å; K64-K67 PolarHBondContact O-N 2.84Å; K67-S71 WeakPolarHBondContact O-CB 3.36Å; K67-S71 PolarHBondContact O-N 2.68Å
68	L	96.4	Very high	92.7	Very high	87 Å²	87	73.4 Å²	73.4	46%	0.455	37%	0.366	S	S	.	.	H	α-helix	trans	-60.5	-54.2	176.3	-178.6	64.4	0	0	0	111.3	K64 L65 E66 S71 I72 T102	K64-L68 PolarHBondContact O-N 3.23Å; L65-L68 WeakPolarHBondContact O-CB 3.45Å; L65-L68 PolarHBondContact O-N 2.94Å; E66-L68 VanDerWaalsContact C-N 3.31Å; E66-L68 PolarHBondContact O-N 3.49Å; L68-S71 PolarHBondContact O-N 2.86Å; L68-I72 HydrophobicContact CD1-CD1 3.57Å; L68-I72 HydrophobicContact CD1-CG1 4.33Å; L68-I72 HydrophobicContact CG-CD1 3.97Å; L68-I72 WeakPolarHBondContact O-CB 3.49Å; L68-I72 WeakPolarHBondContact O-CG1 3.29Å; L68-I72 PolarHBondContact O-N 3.44Å; L68-T102 HydrophobicContact CD2-CG2 4.24Å
69	S	94.8	Very high	91.7	Very high	6 Å²	6	76 Å²	76	4%	0.042	38%	0.378	C	S	.	.	H	α-helix	trans	-59.4	-49.7	179.4	-178.5	0	0	0	0	112	L65 E66 S71 I72 A73 V99	L65-S69 PolarHBondContact O-N 3.38Å; E66-S69 PolarHBondContact O-N 2.99Å; S69-S71 PolarHBondContact O-N 3.18Å; S69-I72 PolarHBondContact O-N 2.78Å; S69-A73 VanDerWaalsContact O-CB 3.26Å; S69-A73 WeakPolarHBondContact O-CB 3.4Å; S69-A73 PolarHBondContact O-N 3.5Å; S69-V99 PolarHBondContact OG-O 3.16Å
70	K	93.4	Very high	90.4	Very high	110 Å²	110	82.3 Å²	82.3	48%	0.478	40%	0.397	S	S	.	.	H	α-helix	trans	-61.6	-42.2	178.1	-72.3	178.3	-177.6	169.9	0	112.5	E66 Q74	E66-K70 HydrophobicContact CG-CD 3.82Å; E66-K70 VanDerWaalsContact CG-CE 3.4Å; E66-K70 HydrophobicContact CG-CG 4.28Å; E66-K70 WeakPolarHBondContact O-CB 3.46Å; E66-K70 WeakPolarHBondContact O-CG 3.37Å; E66-K70 PolarHBondContact O-N 3.07Å; E66-K70 VanDerWaalsContact OE1-CE 3.24Å; E66-K70 WeakPolarHBondContact OE1-CE 3.44Å; E66-K70 IonicContact OE1-NZ 2.74Å; E66-K70 PolarHBondContact OE1-NZ 2.83Å; E66-K70 IonicContact OE2-NZ 2.79Å; E66-K70 PolarHBondContact OE2-NZ 2.82Å; K70-Q74 VanDerWaalsContact O-CB 3.27Å; K70-Q74 WeakPolarHBondContact O-CB 3.25Å; K70-Q74 PolarHBondContact O-N 3.15Å
71	S	94.1	Very high	88.9	Confident	81 Å²	81	81.4 Å²	81.4	57%	0.566	40%	0.403	S	S	*	.	H	α-helix	trans	-64.6	-47.2	179.4	-176.4	0	0	0	0	111.8	K67 L68 S69 Q74 K75	K67-S71 WeakPolarHBondContact O-CB 3.36Å; K67-S71 PolarHBondContact O-N 2.68Å; L68-S71 PolarHBondContact O-N 2.86Å; S69-S71 PolarHBondContact O-N 3.18Å; S71-Q74 PolarHBondContact O-N 3.22Å; S71-K75 PolarHBondContact O-N 3.5Å
72	I	90.1	Very high	87.3	Confident	58 Å²	58	85.8 Å²	85.8	30%	0.297	42%	0.418	S	S	.	.	H	α-helix	trans	-66	-44.7	179.6	-71.1	174.1	0	0	0	110.9	L68 S69 Q74 K75 H76 W95 V99	L68-I72 HydrophobicContact CD1-CD1 3.57Å; L68-I72 HydrophobicContact CD1-CG1 4.33Å; L68-I72 HydrophobicContact CG-CD1 3.97Å; L68-I72 WeakPolarHBondContact O-CB 3.49Å; L68-I72 WeakPolarHBondContact O-CG1 3.29Å; L68-I72 PolarHBondContact O-N 3.44Å; S69-I72 PolarHBondContact O-N 2.78Å; I72-Q74 PolarHBondContact O-N 2.88Å; I72-K75 PolarHBondContact O-N 3.08Å; I72-H76 PolarHBondContact O-N 2.92Å; I72-W95 HydrophobicContact CG2-CZ2 3.45Å; I72-W95 VanDerWaalsContact CG2-CZ2 3.45Å; I72-V99 HydrophobicContact CB-CG2 4.44Å; I72-V99 HydrophobicContact CG2-CG2 3.48Å; I72-V99 VanDerWaalsContact CG2-CG2 3.48Å
73	A	86.9	Confident	85.6	Confident	42 Å²	42	91 Å²	91	35%	0.347	44%	0.438	S	S	.	.	H	α-helix	trans	-62.5	-40.9	176.8	0	0	0	0	0	112.7	S69 H76 K77 V99	S69-A73 VanDerWaalsContact O-CB 3.26Å; S69-A73 WeakPolarHBondContact O-CB 3.4Å; S69-A73 PolarHBondContact O-N 3.5Å; A73-H76 PolarHBondContact O-N 3.03Å; A73-K77 PolarHBondContact O-N 3.44Å; A73-V99 HydrophobicContact CB-CG1 4.49Å
74	Q	87.6	Confident	83.4	Confident	120 Å²	120	96.9 Å²	96.9	56%	0.561	46%	0.461	S	S	*	.	H	α-helix	trans	-65.9	-40.3	176.4	-179.7	63.7	6.1	0	0	111.9	K70 S71 I72 H76 K77 S78	K70-Q74 VanDerWaalsContact O-CB 3.27Å; K70-Q74 WeakPolarHBondContact O-CB 3.25Å; K70-Q74 PolarHBondContact O-N 3.15Å; S71-Q74 PolarHBondContact O-N 3.22Å; I72-Q74 PolarHBondContact O-N 2.88Å; Q74-H76 VanDerWaalsContact C-N 3.34Å; Q74-H76 PolarHBondContact O-N 3.32Å; Q74-K77 WeakPolarHBondContact O-CB 3.47Å; Q74-K77 PolarHBondContact O-N 2.87Å; Q74-S78 PolarHBondContact O-N 3.24Å; Q74-S78 PolarHBondContact O-OG 3.36Å
75	K	85.9	Confident	81.5	Confident	153 Å²	153	95.1 Å²	95.1	67%	0.665	47%	0.473	S	S	*	.	H	α-helix	trans	-61.9	-40.4	175.5	-173.8	178.2	-179.9	-179.4	0	112.1	S71 I72 S78 E79	S71-K75 PolarHBondContact O-N 3.5Å; I72-K75 PolarHBondContact O-N 3.08Å; K75-S78 WeakPolarHBondContact CA-OG 3.47Å; K75-S78 PolarHBondContact O-N 3.13Å; K75-S78 PolarHBondContact O-OG 3.18Å; K75-E79 PolarHBondContact O-N 3.44Å
76	H	79.8	Confident	79.8	Confident	55 Å²	55	101.9 Å²	101.9	26%	0.255	50%	0.498	S	S	.	.	H	α-helix	trans	-65.7	-40.3	173.8	-174.8	-118.2	0	0	0	112	I72 A73 Q74 S78 E79 R80 W95 H96	I72-H76 PolarHBondContact O-N 2.92Å; A73-H76 PolarHBondContact O-N 3.03Å; Q74-H76 VanDerWaalsContact C-N 3.34Å; Q74-H76 PolarHBondContact O-N 3.32Å; H76-S78 VanDerWaalsContact C-N 3.33Å; H76-S78 PolarHBondContact O-N 3.03Å; H76-E79 PolarHBondContact O-N 2.98Å; H76-R80 PolarHBondContact O-N 2.67Å; H76-W95 HydrophobicContact CB-CH2 3.25Å; H76-W95 HydrophobicContact CB-CZ2 3.45Å; H76-W95 VanDerWaalsContact CB-CZ2 3.45Å; H76-W95 HydrophobicContact CB-CZ3 4.1Å; H76-W95 AromaticContact CD2-CH2 3.99Å; H76-W95 AromaticContact CD2-CZ3 3.99Å; H76-W95 AromaticContact CE1-CZ3 3.64Å; H76-W95 AromaticContact CG-CH2 3.29Å; H76-W95 AromaticContact CG-CZ2 3.83Å; H76-W95 AromaticContact CG-CZ3 3.6Å; H76-W95 AromaticContact ND1-CH2 3.39Å; H76-W95 WeakPolarHBondContact ND1-CH2 3.4Å; H76-W95 AromaticContact ND1-CZ3 3.37Å; H76-W95 WeakPolarHBondContact ND1-CZ3 3.49Å; H76-H96 AromaticContact CE1-NE2 3.55Å
77	K	81.4	Confident	78.1	Confident	153 Å²	153	101.1 Å²	101.1	67%	0.665	50%	0.497	S	S	*	.	H	α-helix	trans	-60.7	-38.1	176	-171.4	176.9	178.6	-179.8	0	112.8	A73 Q74	A73-K77 PolarHBondContact O-N 3.44Å; Q74-K77 WeakPolarHBondContact O-CB 3.47Å; Q74-K77 PolarHBondContact O-N 2.87Å
78	S	81.8	Confident	76.7	Confident	68 Å²	68	99.6 Å²	99.6	48%	0.476	49%	0.492	S	S	.	.	H	α-helix	trans	-71.4	-28.7	175.5	45.7	0	0	0	0	114.3	Q74 K75 H76 S81	Q74-S78 PolarHBondContact O-N 3.24Å; Q74-S78 PolarHBondContact O-OG 3.36Å; K75-S78 WeakPolarHBondContact CA-OG 3.47Å; K75-S78 PolarHBondContact O-N 3.13Å; K75-S78 PolarHBondContact O-OG 3.18Å; H76-S78 VanDerWaalsContact C-N 3.33Å; H76-S78 PolarHBondContact O-N 3.03Å; S78-S81 PolarHBondContact O-OG 3.27Å
79	E	74.8	Confident	75.9	Confident	65 Å²	65	97.6 Å²	97.6	30%	0.304	48%	0.48	S	S	.	.	H	α-helix	trans	-84.4	-19.3	176.8	-74.3	-65.6	135.4	0	0	113	K75 H76 S81 R82	K75-E79 PolarHBondContact O-N 3.44Å; H76-E79 PolarHBondContact O-N 2.98Å; E79-S81 VanDerWaalsContact C-N 3.33Å; E79-S81 PolarHBondContact O-N 3.04Å; E79-R82 WeakPolarHBondContact O-CB 3.49Å; E79-R82 PolarHBondContact O-N 2.97Å; E79-R82 IonicContact OE1-NH1 2.73Å
80	R	70	Confident	75.5	Confident	165 Å²	165	98 Å²	98	62%	0.623	48%	0.482	S	S	*	.	H	α-helix	trans	-60.7	-35.8	-176.3	-172.5	172.3	-179.6	147.4	3.3	113.8	H76 R82 R83 E84	H76-R80 PolarHBondContact O-N 2.67Å; R80-R82 PolarHBondContact O-N 2.91Å; R80-R83 CarbonylContact O-C 3.12Å; R80-R83 PolarHBondContact O-N 2.91Å; R80-E84 PolarHBondContact O-N 2.97Å
81	S	66.6	Low	75.1	Confident	90 Å²	90	96.4 Å²	96.4	63%	0.629	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-14.3	176.2	53.3	0	0	0	0	113.8	S78 E79 R83	S78-S81 PolarHBondContact O-OG 3.27Å; E79-S81 VanDerWaalsContact C-N 3.33Å; E79-S81 PolarHBondContact O-N 3.04Å; S81-R83 VanDerWaalsContact C-N 3.35Å
82	R	64.9	Low	74.6	Confident	188 Å²	188	93.6 Å²	93.6	71%	0.709	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	4.2	174.9	-45.4	-179.4	84.7	175.7	6	112.1	E79 R80	E79-R82 WeakPolarHBondContact O-CB 3.49Å; E79-R82 PolarHBondContact O-N 2.97Å; E79-R82 IonicContact OE1-NH1 2.73Å; R80-R82 PolarHBondContact O-N 2.91Å
83	R	60.4	Low	74.4	Confident	111 Å²	111	93.2 Å²	93.2	42%	0.419	47%	0.466	S	S	.	.			trans	-142	20.6	-168.8	-58.3	-177.9	-174.5	-131.7	-0.2	113.3	R80 S81 G85 W86	R80-R83 CarbonylContact O-C 3.12Å; R80-R83 PolarHBondContact O-N 2.91Å; S81-R83 VanDerWaalsContact C-N 3.35Å; R83-G85 PolarHBondContact O-N 3.4Å; R83-W86 HydrophobicContact CB-CB 4.43Å; R83-W86 HydrophobicContact CB-CG 4.07Å; R83-W86 WeakPolarHBondContact O-CB 3.29Å; R83-W86 PolarHBondContact O-N 2.97Å; R83-W86 VanDerWaalsContact O-N 3.11Å
84	E	52.6	Low	74.6	Confident	170 Å²	170	93.3 Å²	93.3	79%	0.794	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	134.3	174.5	-62.8	-164.1	134.1	0	0	109.8	R80	R80-E84 PolarHBondContact O-N 2.97Å
85	G	58.7	Low	74.7	Confident	70 Å²	70	91 Å²	91	72%	0.722	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.5	-8.8	-173.2	0	0	0	0	0	116.4	R83 P87	R83-G85 PolarHBondContact O-N 3.4Å; G85-P87 WeakPolarHBondContact O-CD 3.13Å
86	W	60.7	Low	74.8	Confident	160 Å²	160	87.1 Å²	87.1	61%	0.606	43%	0.432	S	S	*	.			trans	-69.7	123.5	176	-78.3	48.9	0	0	0	111.1	R83 H89	R83-W86 HydrophobicContact CB-CB 4.43Å; R83-W86 HydrophobicContact CB-CG 4.07Å; R83-W86 WeakPolarHBondContact O-CB 3.29Å; R83-W86 PolarHBondContact O-N 2.97Å; R83-W86 VanDerWaalsContact O-N 3.11Å; W86-H89 AromaticContact CE3-NE2 3.97Å
87	P	63	Low	75.4	Confident	36 Å²	36	86.1 Å²	86.1	23%	0.234	43%	0.43	C	S	.	.			trans	-68.2	153.4	177.5	27.8	-34	0	0	0	111.7	G85 H89 K303 A307	G85-P87 WeakPolarHBondContact O-CD 3.13Å; P87-H89 VanDerWaalsContact C-N 3.34Å; P87-H89 PolarHBondContact O-CD2 2.98Å; P87-H89 VanDerWaalsContact O-CD2 3.3Å; P87-H89 PolarHBondContact O-N 2.95Å; P87-K303 HydrophobicContact CB-CB 4.18Å; P87-K303 HydrophobicContact CG-CB 4.37Å; P87-A307 HydrophobicContact CB-CB 4.42Å; P87-A307 HydrophobicContact CG-CB 4Å
88	Q	66.8	Low	75.9	Confident	103 Å²	103	82.6 Å²	82.6	48%	0.481	42%	0.418	S	S	.	.			trans	-69.8	87.6	179.7	-166.7	85.8	10.4	0	0	110.7	H96 K303	Q88-H96 PolarHBondContact NE2-CD2 3.27Å; Q88-K303 PolarHBondContact O-NZ 2.87Å
89	H	80.4	Confident	76.4	Confident	45 Å²	45	80.2 Å²	80.2	21%	0.208	40%	0.401	C	S	.	.			trans	-77.7	152.4	174.7	54.9	88.4	0	0	0	111.7	W86 P87 S91 S92 T93 D300	W86-H89 AromaticContact CE3-NE2 3.97Å; P87-H89 VanDerWaalsContact C-N 3.34Å; P87-H89 PolarHBondContact O-CD2 2.98Å; P87-H89 VanDerWaalsContact O-CD2 3.3Å; P87-H89 PolarHBondContact O-N 2.95Å; H89-S91 VanDerWaalsContact C-N 3.29Å; H89-S91 PolarHBondContact CE1-OG 2.91Å; H89-S91 PolarHBondContact ND1-OG 2.99Å; H89-S91 PolarHBondContact O-N 3.31Å; H89-S91 VanDerWaalsContact O-N 3.15Å; H89-S92 PolarHBondContact CE1-OG 3.43Å; H89-S92 PolarHBondContact ND1-OG 3.2Å; H89-S92 PolarHBondContact NE2-OG 3.24Å; H89-S92 WeakPolarHBondContact O-CA 3.39Å; H89-S92 WeakPolarHBondContact O-CB 3.35Å; H89-S92 PolarHBondContact O-N 2.95Å; H89-T93 PolarHBondContact O-N 3.1Å; H89-T93 VanDerWaalsContact O-N 3.16Å; H89-D300 WeakPolarHBondContact CA-OD1 3.4Å; H89-D300 HydrophobicContact CB-CB 4.31Å
90	T	86.6	Confident	77.2	Confident	15 Å²	15	81.7 Å²	81.7	9%	0.092	41%	0.407	C	S	.	.	H	α-helix	trans	-46.4	-47	-175	-60.3	0	0	0	0	113.3	S92 T93 V94 V295 D300	T90-S92 VanDerWaalsContact C-N 3.27Å; T90-S92 PolarHBondContact O-N 2.94Å; T90-T93 CarbonylContact O-C 3.56Å; T90-T93 WeakPolarHBondContact O-CA 3.49Å; T90-T93 WeakPolarHBondContact O-CB 3.48Å; T90-T93 PolarHBondContact O-N 3.28Å; T90-V94 HydrophobicContact CG2-CG2 4.32Å; T90-V94 WeakPolarHBondContact O-CG2 3.48Å; T90-V94 PolarHBondContact O-N 3Å; T90-V295 HydrophobicContact CG2-CB 3.95Å; T90-V295 HydrophobicContact CG2-CG1 3.92Å; T90-V295 HydrophobicContact CG2-CG2 3.79Å; T90-D300 WeakPolarHBondContact CA-OD2 3.39Å; T90-D300 WeakPolarHBondContact CB-OD2 3.36Å; T90-D300 VanDerWaalsContact N-CG 3.32Å; T90-D300 PolarHBondContact N-OD1 3.3Å; T90-D300 PolarHBondContact N-OD2 3.48Å; T90-D300 VanDerWaalsContact OG1-CG 3.3Å; T90-D300 PolarHBondContact OG1-OD1 3.15Å; T90-D300 PolarHBondContact OG1-OD2 3.07Å
91	S	84.3	Confident	78.4	Confident	76 Å²	76	75.3 Å²	75.3	53%	0.531	39%	0.385	S	S	.	.	H	α-helix	trans	-65.3	-27.6	-179.2	49	0	0	0	0	113.7	H89 W95	H89-S91 VanDerWaalsContact C-N 3.29Å; H89-S91 PolarHBondContact CE1-OG 2.91Å; H89-S91 PolarHBondContact ND1-OG 2.99Å; H89-S91 PolarHBondContact O-N 3.31Å; H89-S91 VanDerWaalsContact O-N 3.15Å; S91-W95 WeakPolarHBondContact O-CB 3.47Å; S91-W95 PolarHBondContact O-N 3.44Å; S91-W95 VanDerWaalsContact O-N 3.13Å
92	S	83.1	Confident	79.7	Confident	22 Å²	22	72.6 Å²	72.6	15%	0.154	37%	0.365	C	S	.	.	H	α-helix	trans	-73.6	-37.9	169.5	-69.2	0	0	0	0	111.5	H89 T90 W95 H96	H89-S92 PolarHBondContact CE1-OG 3.43Å; H89-S92 PolarHBondContact ND1-OG 3.2Å; H89-S92 PolarHBondContact NE2-OG 3.24Å; H89-S92 WeakPolarHBondContact O-CA 3.39Å; H89-S92 WeakPolarHBondContact O-CB 3.35Å; H89-S92 PolarHBondContact O-N 2.95Å; T90-S92 VanDerWaalsContact C-N 3.27Å; T90-S92 PolarHBondContact O-N 2.94Å; S92-W95 PolarHBondContact O-N 3.05Å; S92-H96 WeakPolarHBondContact O-CB 3.25Å; S92-H96 PolarHBondContact O-CD2 3.1Å; S92-H96 VanDerWaalsContact O-CD2 3.29Å; S92-H96 PolarHBondContact O-N 3.17Å
93	T	87.2	Confident	81.1	Confident	50 Å²	50	66.4 Å²	66.4	31%	0.307	34%	0.343	S	S	.	.	H	α-helix	trans	-62.3	-45.9	172.6	-55.6	0	0	0	0	111.7	H89 T90 W95 H96 T97 L291	H89-T93 PolarHBondContact O-N 3.1Å; H89-T93 VanDerWaalsContact O-N 3.16Å; T90-T93 CarbonylContact O-C 3.56Å; T90-T93 WeakPolarHBondContact O-CA 3.49Å; T90-T93 WeakPolarHBondContact O-CB 3.48Å; T90-T93 PolarHBondContact O-N 3.28Å; T93-W95 PolarHBondContact O-N 2.86Å; T93-H96 WeakPolarHBondContact O-CB 3.49Å; T93-H96 PolarHBondContact O-N 3.07Å; T93-T97 PolarHBondContact O-N 3.5Å; T93-T97 PolarHBondContact O-OG1 3.18Å; T93-L291 HydrophobicContact CG2-CD1 4.17Å
94	V	90.8	Very high	82.7	Confident	44 Å²	44	63.5 Å²	63.5	27%	0.267	33%	0.334	S	S	.	.	H	α-helix	trans	-58.5	-47.4	175.9	171.6	0	0	0	0	111.3	T90 H96 T97 L98 L291	T90-V94 HydrophobicContact CG2-CG2 4.32Å; T90-V94 WeakPolarHBondContact O-CG2 3.48Å; T90-V94 PolarHBondContact O-N 3Å; V94-H96 PolarHBondContact O-N 3.11Å; V94-T97 PolarHBondContact O-N 2.75Å; V94-L98 HydrophobicContact CG1-CD1 3.95Å; V94-L98 WeakPolarHBondContact O-CG 3.21Å; V94-L98 PolarHBondContact O-N 3.36Å; V94-L98 VanDerWaalsContact O-N 3.13Å; V94-L291 HydrophobicContact CB-CD2 4.39Å; V94-L291 HydrophobicContact CG1-CD2 4.38Å; V94-L291 HydrophobicContact CG2-CD1 3.88Å; V94-L291 HydrophobicContact CG2-CD2 4.14Å; V94-L291 HydrophobicContact CG2-CG 4.03Å
95	W	89.5	Confident	84.7	Confident	72 Å²	72	57.5 Å²	57.5	27%	0.273	31%	0.306	S	S	.	.	H	α-helix	trans	-59.9	-44.3	175.1	173.2	87.8	0	0	0	112.2	I72 H76 S91 S92 T93 L98 V99	I72-W95 HydrophobicContact CG2-CZ2 3.45Å; I72-W95 VanDerWaalsContact CG2-CZ2 3.45Å; H76-W95 HydrophobicContact CB-CH2 3.25Å; H76-W95 HydrophobicContact CB-CZ2 3.45Å; H76-W95 VanDerWaalsContact CB-CZ2 3.45Å; H76-W95 HydrophobicContact CB-CZ3 4.1Å; H76-W95 AromaticContact CD2-CH2 3.99Å; H76-W95 AromaticContact CD2-CZ3 3.99Å; H76-W95 AromaticContact CE1-CZ3 3.64Å; H76-W95 AromaticContact CG-CH2 3.29Å; H76-W95 AromaticContact CG-CZ2 3.83Å; H76-W95 AromaticContact CG-CZ3 3.6Å; H76-W95 AromaticContact ND1-CH2 3.39Å; H76-W95 WeakPolarHBondContact ND1-CH2 3.4Å; H76-W95 AromaticContact ND1-CZ3 3.37Å; H76-W95 WeakPolarHBondContact ND1-CZ3 3.49Å; S91-W95 WeakPolarHBondContact O-CB 3.47Å; S91-W95 PolarHBondContact O-N 3.44Å; S91-W95 VanDerWaalsContact O-N 3.13Å; S92-W95 PolarHBondContact O-N 3.05Å; T93-W95 PolarHBondContact O-N 2.86Å; W95-L98 PolarHBondContact O-N 2.97Å; W95-V99 HydrophobicContact CD2-CG2 4.24Å; W95-V99 HydrophobicContact CH2-CG2 4.45Å; W95-V99 HydrophobicContact CZ2-CG2 3.92Å; W95-V99 VanDerWaalsContact O-CG2 3.29Å; W95-V99 WeakPolarHBondContact O-CG2 3.39Å; W95-V99 PolarHBondContact O-N 3.34Å; W95-V99 VanDerWaalsContact O-N 3.1Å
96	H	88.4	Confident	86.4	Confident	72 Å²	72	55.8 Å²	55.8	33%	0.333	28%	0.278	S	S	.	.	H	α-helix	trans	-60.9	-47.5	178.7	-98.3	-81.6	0	0	0	112.1	H76 Q88 S92 T93 V94 V99 E100	H76-H96 AromaticContact CE1-NE2 3.55Å; Q88-H96 PolarHBondContact NE2-CD2 3.27Å; S92-H96 WeakPolarHBondContact O-CB 3.25Å; S92-H96 PolarHBondContact O-CD2 3.1Å; S92-H96 VanDerWaalsContact O-CD2 3.29Å; S92-H96 PolarHBondContact O-N 3.17Å; T93-H96 WeakPolarHBondContact O-CB 3.49Å; T93-H96 PolarHBondContact O-N 3.07Å; V94-H96 PolarHBondContact O-N 3.11Å; H96-V99 PolarHBondContact O-N 2.81Å; H96-E100 WeakPolarHBondContact O-CB 3.37Å; H96-E100 PolarHBondContact O-N 3.08Å
97	T	91.1	Very high	88.1	Confident	33 Å²	33	52.1 Å²	52.1	20%	0.202	27%	0.266	C	S	.	.	H	α-helix	trans	-61.9	-44.9	179.5	-58.5	0	0	0	0	111.5	T93 V94 V99 E100 Q101 L291	T93-T97 PolarHBondContact O-N 3.5Å; T93-T97 PolarHBondContact O-OG1 3.18Å; V94-T97 PolarHBondContact O-N 2.75Å; T97-V99 PolarHBondContact O-N 3.41Å; T97-E100 PolarHBondContact O-N 3.41Å; T97-Q101 HydrophobicContact CG2-CG 4.29Å; T97-Q101 WeakPolarHBondContact O-CB 3.49Å; T97-Q101 WeakPolarHBondContact O-CG 3.41Å; T97-Q101 PolarHBondContact O-N 3.48Å; T97-L291 HydrophobicContact CG2-CD2 4.02Å
98	L	92.8	Very high	89.6	Confident	80 Å²	80	54.7 Å²	54.7	42%	0.419	27%	0.274	S	S	.	.	H	α-helix	trans	-62.6	-39.7	178.6	-70.2	168	0	0	0	112.6	V94 W95 T102 L288	V94-L98 HydrophobicContact CG1-CD1 3.95Å; V94-L98 WeakPolarHBondContact O-CG 3.21Å; V94-L98 PolarHBondContact O-N 3.36Å; V94-L98 VanDerWaalsContact O-N 3.13Å; W95-L98 PolarHBondContact O-N 2.97Å; L98-T102 WeakPolarHBondContact O-CB 3.22Å; L98-T102 PolarHBondContact O-N 3.49Å; L98-T102 PolarHBondContact O-OG1 3Å; L98-L288 HydrophobicContact CD2-CD2 3.87Å
99	V	92.4	Very high	90.9	Very high	17 Å²	17	51.7 Å²	51.7	10%	0.103	26%	0.258	C	S	.	.	H	α-helix	trans	-69.5	-35	177.8	172.3	0	0	0	0	112	S69 I72 A73 W95 H96 T97 K103	S69-V99 PolarHBondContact OG-O 3.16Å; I72-V99 HydrophobicContact CB-CG2 4.44Å; I72-V99 HydrophobicContact CG2-CG2 3.48Å; I72-V99 VanDerWaalsContact CG2-CG2 3.48Å; A73-V99 HydrophobicContact CB-CG1 4.49Å; W95-V99 HydrophobicContact CD2-CG2 4.24Å; W95-V99 HydrophobicContact CH2-CG2 4.45Å; W95-V99 HydrophobicContact CZ2-CG2 3.92Å; W95-V99 VanDerWaalsContact O-CG2 3.29Å; W95-V99 WeakPolarHBondContact O-CG2 3.39Å; W95-V99 PolarHBondContact O-N 3.34Å; W95-V99 VanDerWaalsContact O-N 3.1Å; H96-V99 PolarHBondContact O-N 2.81Å; T97-V99 PolarHBondContact O-N 3.41Å; V99-K103 WeakPolarHBondContact O-CB 3.41Å; V99-K103 PolarHBondContact O-N 2.99Å; V99-K103 VanDerWaalsContact O-N 3.08Å
100	E	91.9	Very high	91.6	Very high	96 Å²	96	52.6 Å²	52.6	45%	0.449	26%	0.262	S	S	.	.	H	α-helix	trans	-76.7	-38.5	177.6	-169.1	68.3	176.3	0	0	112.1	H96 T97 T102 K103 E104	H96-E100 WeakPolarHBondContact O-CB 3.37Å; H96-E100 PolarHBondContact O-N 3.08Å; T97-E100 PolarHBondContact O-N 3.41Å; E100-T102 PolarHBondContact O-N 3.49Å; E100-K103 CarbonylContact O-C 3.42Å; E100-K103 WeakPolarHBondContact O-CA 3.37Å; E100-K103 VanDerWaalsContact O-CB 3.3Å; E100-K103 WeakPolarHBondContact O-CB 3.41Å; E100-K103 PolarHBondContact O-N 3.2Å; E100-K103 IonicContact OE1-NZ 3.97Å; E100-K103 PolarHBondContact OE1-NZ 2.93Å; E100-K103 WeakPolarHBondContact OE2-CD 3.36Å; E100-K103 WeakPolarHBondContact OE2-CE 3.27Å; E100-K103 IonicContact OE2-NZ 2.77Å; E100-K103 PolarHBondContact OE2-NZ 2.95Å; E100-E104 PolarHBondContact O-N 2.83Å
101	Q	93.4	Very high	92	Very high	31 Å²	31	55 Å²	55	15%	0.145	28%	0.28	C	S	.	.	H	α-helix	trans	-61.4	-43.6	170.8	-74.2	178.5	-14.6	0	0	111.5	T97 K103 E104 E105 S284	T97-Q101 HydrophobicContact CG2-CG 4.29Å; T97-Q101 WeakPolarHBondContact O-CB 3.49Å; T97-Q101 WeakPolarHBondContact O-CG 3.41Å; T97-Q101 PolarHBondContact O-N 3.48Å; Q101-K103 PolarHBondContact O-N 2.9Å; Q101-E104 PolarHBondContact O-N 3.28Å; Q101-E105 WeakPolarHBondContact O-CB 3.33Å; Q101-E105 PolarHBondContact O-N 3.42Å; Q101-S284 PolarHBondContact NE2-O 3.49Å; Q101-S284 VanDerWaalsContact NE2-O 3.11Å; Q101-S284 PolarHBondContact NE2-OG 3.29Å; Q101-S284 PolarHBondContact OE1-OG 2.91Å
102	T	95.1	Very high	92.6	Very high	34 Å²	34	51.6 Å²	51.6	21%	0.209	26%	0.256	C	S	.	.	H	α-helix	trans	-58.1	-35.4	171.4	-55	0	0	0	0	111.7	L65 L68 L98 E100 Y106	L65-T102 HydrophobicContact CB-CG2 4.42Å; L65-T102 HydrophobicContact CD2-CG2 4.24Å; L68-T102 HydrophobicContact CD2-CG2 4.24Å; L98-T102 WeakPolarHBondContact O-CB 3.22Å; L98-T102 PolarHBondContact O-N 3.49Å; L98-T102 PolarHBondContact O-OG1 3Å; E100-T102 PolarHBondContact O-N 3.49Å; T102-Y106 PolarHBondContact O-N 3.09Å
103	K	94.3	Very high	93.2	Very high	57 Å²	57	50.6 Å²	50.6	25%	0.248	25%	0.249	C	C	.	.	H	α-helix	trans	-72.2	-39.3	179.4	179.6	166.3	135	-66.7	0	112.9	V99 E100 Q101 Y106 K107	V99-K103 WeakPolarHBondContact O-CB 3.41Å; V99-K103 PolarHBondContact O-N 2.99Å; V99-K103 VanDerWaalsContact O-N 3.08Å; E100-K103 CarbonylContact O-C 3.42Å; E100-K103 WeakPolarHBondContact O-CA 3.37Å; E100-K103 VanDerWaalsContact O-CB 3.3Å; E100-K103 WeakPolarHBondContact O-CB 3.41Å; E100-K103 PolarHBondContact O-N 3.2Å; E100-K103 IonicContact OE1-NZ 3.97Å; E100-K103 PolarHBondContact OE1-NZ 2.93Å; E100-K103 WeakPolarHBondContact OE2-CD 3.36Å; E100-K103 WeakPolarHBondContact OE2-CE 3.27Å; E100-K103 IonicContact OE2-NZ 2.77Å; E100-K103 PolarHBondContact OE2-NZ 2.95Å; Q101-K103 PolarHBondContact O-N 2.9Å; K103-Y106 HydrophobicContact CB-CE1 4.27Å; K103-Y106 HydrophobicContact CG-CE1 3.86Å; K103-Y106 WeakPolarHBondContact O-CD1 3.46Å; K103-Y106 WeakPolarHBondContact O-CE1 3.41Å; K103-K107 WeakPolarHBondContact O-CG 3.19Å
104	E	93.7	Very high	93.7	Very high	50 Å²	50	51.4 Å²	51.4	23%	0.234	25%	0.249	C	C	.	.	H	α-helix	trans	-77	-37.2	176.3	-59.6	-46.6	121.7	0	0	111.8	E100 Q101 Y106 K107 K108	E100-E104 PolarHBondContact O-N 2.83Å; Q101-E104 PolarHBondContact O-N 3.28Å; E104-Y106 PolarHBondContact O-N 3.48Å; E104-K107 PolarHBondContact O-N 2.93Å; E104-K107 VanDerWaalsContact OE1-CE 3.29Å; E104-K107 WeakPolarHBondContact OE1-CE 3.33Å; E104-K107 IonicContact OE1-NZ 3.88Å; E104-K107 PolarHBondContact OE1-NZ 3.26Å; E104-K107 WeakPolarHBondContact OE2-CD 3.42Å; E104-K107 WeakPolarHBondContact OE2-CE 3.35Å; E104-K107 IonicContact OE2-NZ 2.65Å; E104-K107 PolarHBondContact OE2-NZ 2.75Å; E104-K108 WeakPolarHBondContact O-CG 3.43Å; E104-K108 PolarHBondContact O-N 2.83Å
105	E	94.1	Very high	93.9	Very high	44 Å²	44	49.6 Å²	49.6	21%	0.206	24%	0.238	C	C	.	.	H	α-helix	trans	-55.6	-49.5	175.1	-171.2	-172.1	172.8	0	0	111.6	Y61 L65 Q101 K107 K108 R109	Y61-E105 WeakPolarHBondContact CE1-OE1 3.24Å; L65-E105 HydrophobicContact CD1-CB 4.31Å; L65-E105 HydrophobicContact CD1-CG 3.97Å; Q101-E105 WeakPolarHBondContact O-CB 3.33Å; Q101-E105 PolarHBondContact O-N 3.42Å; E105-K107 PolarHBondContact O-N 3.24Å; E105-K108 WeakPolarHBondContact O-CB 3.5Å; E105-K108 PolarHBondContact O-N 3.37Å; E105-R109 HydrophobicContact CG-CG 4.06Å; E105-R109 WeakPolarHBondContact O-CG 3.41Å; E105-R109 PolarHBondContact O-N 3.29Å; E105-R109 IonicContact OE1-CZ 2.77Å; E105-R109 IonicContact OE1-NE 3.2Å; E105-R109 PolarHBondContact OE1-NE 3.48Å; E105-R109 IonicContact OE1-NH2 3.14Å; E105-R109 PolarHBondContact OE1-NH2 2.92Å
106	Y	95.4	Very high	94.3	Very high	34 Å²	34	46.7 Å²	46.7	13%	0.133	23%	0.227	C	C	.	.	H	α-helix	trans	-61.4	-33.1	-177.1	89.8	-113.7	0	0	0	112.6	A62 E66 T102 K103 E104 R109 Q110	A62-Y106 WeakPolarHBondContact CB-O 3.48Å; E66-Y106 HydrophobicContact CB-CD1 3.89Å; E66-Y106 HydrophobicContact CB-CD2 3.74Å; E66-Y106 HydrophobicContact CB-CE1 3.95Å; E66-Y106 HydrophobicContact CB-CE2 3.79Å; E66-Y106 HydrophobicContact CB-CG 3.83Å; E66-Y106 HydrophobicContact CG-CD1 4.27Å; E66-Y106 HydrophobicContact CG-CD2 4.15Å; E66-Y106 HydrophobicContact CG-CE1 3.79Å; E66-Y106 HydrophobicContact CG-CE2 3.66Å; E66-Y106 HydrophobicContact CG-CG 4.47Å; E66-Y106 VanDerWaalsContact CG-CZ 3.47Å; E66-Y106 WeakPolarHBondContact OE1-CE2 3.32Å; E66-Y106 PolarHBondContact OE1-OH 2.94Å; T102-Y106 PolarHBondContact O-N 3.09Å; K103-Y106 HydrophobicContact CB-CE1 4.27Å; K103-Y106 HydrophobicContact CG-CE1 3.86Å; K103-Y106 WeakPolarHBondContact O-CD1 3.46Å; K103-Y106 WeakPolarHBondContact O-CE1 3.41Å; E104-Y106 PolarHBondContact O-N 3.48Å; Y106-R109 PolarHBondContact O-N 3.17Å; Y106-Q110 VanDerWaalsContact O-CB 3.24Å; Y106-Q110 WeakPolarHBondContact O-CB 3.48Å; Y106-Q110 PolarHBondContact O-N 2.73Å
107	K	95.1	Very high	94.7	Very high	84 Å²	84	44.3 Å²	44.3	37%	0.365	22%	0.222	S	C	.	.	H	α-helix	trans	-65.5	-40.5	174.7	-62.3	177.5	-161.4	168.7	0	111.6	K103 E104 E105 Q110 S111	K103-K107 WeakPolarHBondContact O-CG 3.19Å; E104-K107 PolarHBondContact O-N 2.93Å; E104-K107 VanDerWaalsContact OE1-CE 3.29Å; E104-K107 WeakPolarHBondContact OE1-CE 3.33Å; E104-K107 IonicContact OE1-NZ 3.88Å; E104-K107 PolarHBondContact OE1-NZ 3.26Å; E104-K107 WeakPolarHBondContact OE2-CD 3.42Å; E104-K107 WeakPolarHBondContact OE2-CE 3.35Å; E104-K107 IonicContact OE2-NZ 2.65Å; E104-K107 PolarHBondContact OE2-NZ 2.75Å; E105-K107 PolarHBondContact O-N 3.24Å; K107-Q110 PolarHBondContact O-N 3.42Å; K107-S111 WeakPolarHBondContact O-CB 3.36Å; K107-S111 PolarHBondContact O-N 2.93Å
108	K	94.3	Very high	94.9	Very high	89 Å²	89	48.7 Å²	48.7	39%	0.387	24%	0.238	S	C	.	.	H	α-helix	trans	-65.7	-46.3	176.7	-55.7	-64.2	-179.2	171.8	0	110.7	E104 E105 Q110 S111 L112 I277	E104-K108 WeakPolarHBondContact O-CG 3.43Å; E104-K108 PolarHBondContact O-N 2.83Å; E105-K108 WeakPolarHBondContact O-CB 3.5Å; E105-K108 PolarHBondContact O-N 3.37Å; K108-Q110 PolarHBondContact O-N 3.21Å; K108-S111 PolarHBondContact O-N 3.27Å; K108-L112 PolarHBondContact O-N 2.86Å; K108-I277 HydrophobicContact CB-CG1 4.21Å
109	R	95.1	Very high	95.1	Very high	40 Å²	40	50.5 Å²	50.5	15%	0.151	24%	0.244	C	C	.	.	H	α-helix	trans	-61	-41.9	175.2	-58.8	-68.9	-176.9	-150.3	-8.4	111.7	Y61 A62 L65 E105 Y106 L112 G113 E281	Y61-R109 HydrophobicContact CD1-CB 4.5Å; Y61-R109 HydrophobicContact CD1-CG 3.89Å; Y61-R109 HydrophobicContact CE1-CG 4.09Å; A62-R109 HydrophobicContact CB-CB 3.91Å; L65-R109 HydrophobicContact CD1-CG 4.42Å; E105-R109 HydrophobicContact CG-CG 4.06Å; E105-R109 WeakPolarHBondContact O-CG 3.41Å; E105-R109 PolarHBondContact O-N 3.29Å; E105-R109 IonicContact OE1-CZ 2.77Å; E105-R109 IonicContact OE1-NE 3.2Å; E105-R109 PolarHBondContact OE1-NE 3.48Å; E105-R109 IonicContact OE1-NH2 3.14Å; E105-R109 PolarHBondContact OE1-NH2 2.92Å; Y106-R109 PolarHBondContact O-N 3.17Å; R109-L112 WeakPolarHBondContact O-CB 3.35Å; R109-L112 PolarHBondContact O-N 3.29Å; R109-G113 PolarHBondContact O-N 2.64Å; R109-E281 IonicContact CZ-OE1 2.7Å; R109-E281 IonicContact NH1-OE1 2.79Å; R109-E281 PolarHBondContact NH1-OE1 3.11Å; R109-E281 IonicContact NH2-OE1 3.17Å; R109-E281 PolarHBondContact NH2-OE1 2.91Å
110	Q	95.9	Very high	95.3	Very high	65 Å²	65	49.9 Å²	49.9	30%	0.304	24%	0.241	S	C	.	.	H	α-helix	trans	-61.1	-47	174.8	-178.7	61.9	30	0	0	111.7	A62 Y106 K107 K108 L112 G113 E114	A62-Q110 HydrophobicContact CB-CB 3.91Å; Y106-Q110 VanDerWaalsContact O-CB 3.24Å; Y106-Q110 WeakPolarHBondContact O-CB 3.48Å; Y106-Q110 PolarHBondContact O-N 2.73Å; K107-Q110 PolarHBondContact O-N 3.42Å; K108-Q110 PolarHBondContact O-N 3.21Å; Q110-L112 VanDerWaalsContact C-N 3.29Å; Q110-L112 PolarHBondContact O-N 3.44Å; Q110-G113 PolarHBondContact O-N 3.14Å; Q110-G113 VanDerWaalsContact O-N 3.16Å; Q110-E114 PolarHBondContact NE2-OE1 2.76Å; Q110-E114 WeakPolarHBondContact O-CG 3.49Å; Q110-E114 PolarHBondContact O-N 2.78Å
111	S	94.8	Very high	95.6	Very high	65 Å²	65	45.9 Å²	45.9	46%	0.455	22%	0.223	S	C	.	.	H	α-helix	trans	-60.4	-38.6	177	-169.1	0	0	0	0	112.1	K107 K108 E114 L115	K107-S111 WeakPolarHBondContact O-CB 3.36Å; K107-S111 PolarHBondContact O-N 2.93Å; K108-S111 PolarHBondContact O-N 3.27Å; S111-E114 PolarHBondContact O-N 3.11Å; S111-L115 PolarHBondContact O-N 2.9Å
112	L	95.8	Very high	95.8	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-66.8	-42.8	173.8	-166.3	70.6	0	0	0	112	E58 K108 R109 Q110 E114 L115 Y116 E273 I277	E58-L112 HydrophobicContact CG-CD2 3.95Å; E58-L112 HydrophobicContact CG-CG 4.35Å; K108-L112 PolarHBondContact O-N 2.86Å; R109-L112 WeakPolarHBondContact O-CB 3.35Å; R109-L112 PolarHBondContact O-N 3.29Å; Q110-L112 VanDerWaalsContact C-N 3.29Å; Q110-L112 PolarHBondContact O-N 3.44Å; L112-E114 VanDerWaalsContact C-N 3.29Å; L112-E114 PolarHBondContact O-N 3.1Å; L112-L115 HydrophobicContact CD1-CD2 4.48Å; L112-L115 PolarHBondContact O-N 2.69Å; L112-Y116 HydrophobicContact CD1-CE1 3.85Å; L112-Y116 HydrophobicContact CD1-CE2 3.96Å; L112-Y116 HydrophobicContact CD2-CE2 3.77Å; L112-Y116 HydrophobicContact CG-CD2 4.05Å; L112-Y116 HydrophobicContact CG-CE1 4.32Å; L112-Y116 HydrophobicContact CG-CE2 3.6Å; L112-Y116 PolarHBondContact O-N 3.13Å; L112-E273 HydrophobicContact CD1-CB 3.89Å; L112-E273 HydrophobicContact CD1-CG 3.99Å; L112-I277 HydrophobicContact CB-CD1 3.97Å; L112-I277 HydrophobicContact CD1-CD1 3.99Å; L112-I277 HydrophobicContact CD2-CD1 3.7Å; L112-I277 HydrophobicContact CG-CD1 4.11Å
113	G	96.9	Very high	95.9	Very high	1 Å²	1	47 Å²	47	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-58.3	-39.5	175.1	0	0	0	0	0	112.9	G55 R109 Q110 G117	G55-G113 WeakPolarHBondContact CA-O 3.34Å; G55-G113 WeakPolarHBondContact O-CA 2.97Å; R109-G113 PolarHBondContact O-N 2.64Å; Q110-G113 PolarHBondContact O-N 3.14Å; Q110-G113 VanDerWaalsContact O-N 3.16Å; G113-G117 WeakPolarHBondContact O-CA 3.32Å; G113-G117 PolarHBondContact O-N 3.37Å
114	E	96.5	Very high	96.1	Very high	67 Å²	67	44.3 Å²	44.3	31%	0.313	23%	0.226	S	C	.	.	H	α-helix	trans	-76.1	-35.3	176.5	-67	-167.4	-143.9	0	0	113.6	Q110 S111 L112 K118 Q119	Q110-E114 PolarHBondContact NE2-OE1 2.76Å; Q110-E114 WeakPolarHBondContact O-CG 3.49Å; Q110-E114 PolarHBondContact O-N 2.78Å; S111-E114 PolarHBondContact O-N 3.11Å; L112-E114 VanDerWaalsContact C-N 3.29Å; L112-E114 PolarHBondContact O-N 3.1Å; E114-K118 HydrophobicContact CB-CD 4.32Å; E114-K118 VanDerWaalsContact CD-NZ 3.28Å; E114-K118 HydrophobicContact CG-CD 4.37Å; E114-K118 VanDerWaalsContact O-CB 3.32Å; E114-K118 WeakPolarHBondContact O-CB 3.47Å; E114-K118 PolarHBondContact O-N 3.2Å; E114-K118 IonicContact OE1-NZ 3.58Å; E114-K118 IonicContact OE2-NZ 3.37Å; E114-K118 PolarHBondContact OE2-NZ 3.12Å; E114-Q119 PolarHBondContact O-N 2.71Å
115	L	96.1	Very high	96.2	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.026	24%	0.24	C	C	.	.	I	π-helix	trans	-58.1	-54.5	170.6	173.9	61.7	0	0	0	110.5	S111 L112 Q119 M120 K269 E273	S111-L115 PolarHBondContact O-N 2.9Å; L112-L115 HydrophobicContact CD1-CD2 4.48Å; L112-L115 PolarHBondContact O-N 2.69Å; L115-Q119 HydrophobicContact CD1-CB 4.14Å; L115-Q119 WeakPolarHBondContact O-CB 3.21Å; L115-Q119 PolarHBondContact O-N 3.16Å; L115-Q119 VanDerWaalsContact O-N 3.16Å; L115-M120 HydrophobicContact CD1-CG 4.24Å; L115-M120 HydrophobicContact CG-CG 4.38Å; L115-M120 HydrophobicContact CG-SD 4.41Å; L115-M120 WeakPolarHBondContact O-CG 3.37Å; L115-M120 PolarHBondContact O-N 3.02Å; L115-K269 HydrophobicContact CD1-CD 4.41Å; L115-K269 HydrophobicContact CD1-CG 3.98Å; L115-K269 HydrophobicContact CD2-CG 4.38Å; L115-E273 HydrophobicContact CD2-CB 3.57Å; L115-E273 HydrophobicContact CD2-CG 3.71Å
116	Y	97.5	Very high	96.4	Very high	11 Å²	11	48.8 Å²	48.8	4%	0.043	25%	0.253	C	S	.	.	I	π-helix	trans	-68.2	-50.6	-178.1	-65	-14.3	0	0	0	112	F51 R54 E58 L112 M120 T121 V270	F51-Y116 AromaticContact CD1-CD1 4Å; F51-Y116 HydrophobicContact CD1-CD1 4Å; F51-Y116 HydrophobicContact CD1-CG 4.14Å; F51-Y116 HydrophobicContact CE1-CD1 4.27Å; F51-Y116 HydrophobicContact CE1-CE1 4.36Å; F51-Y116 CarbonylContact O-C 3.22Å; R54-Y116 HydrophobicContact CB-CD2 4.09Å; R54-Y116 HydrophobicContact CG-CD2 3.51Å; R54-Y116 HydrophobicContact CG-CE2 3.66Å; E58-Y116 HydrophobicContact CG-CD2 4.28Å; E58-Y116 HydrophobicContact CG-CE2 4.42Å; L112-Y116 HydrophobicContact CD1-CE1 3.85Å; L112-Y116 HydrophobicContact CD1-CE2 3.96Å; L112-Y116 HydrophobicContact CD2-CE2 3.77Å; L112-Y116 HydrophobicContact CG-CD2 4.05Å; L112-Y116 HydrophobicContact CG-CE1 4.32Å; L112-Y116 HydrophobicContact CG-CE2 3.6Å; L112-Y116 PolarHBondContact O-N 3.13Å; Y116-M120 HydrophobicContact CD1-SD 3.57Å; Y116-M120 VanDerWaalsContact CD1-SD 3.57Å; Y116-M120 HydrophobicContact CE1-SD 4.04Å; Y116-T121 WeakPolarHBondContact O-CG2 3.5Å; Y116-V270 HydrophobicContact CE1-CG1 4.34Å; Y116-V270 HydrophobicContact CE1-CG2 4.13Å
117	G	96.6	Very high	96.4	Very high	23 Å²	23	48.9 Å²	48.9	24%	0.237	25%	0.253	C	S	.	.	I	π-helix	trans	-75.6	-24.6	-171.8	0	0	0	0	0	115.4	G113 T121	G113-G117 WeakPolarHBondContact O-CA 3.32Å; G113-G117 PolarHBondContact O-N 3.37Å; G117-T121 PolarHBondContact O-OG1 3.35Å
118	K	95.6	Very high	96.5	Very high	124 Å²	124	45.9 Å²	45.9	54%	0.539	24%	0.242	S	C	.	.	I	π-helix	trans	-117.4	-51.3	-177.5	-51.9	175.7	-175.1	173	0	113.8	E114 T121 A122	E114-K118 HydrophobicContact CB-CD 4.32Å; E114-K118 VanDerWaalsContact CD-NZ 3.28Å; E114-K118 HydrophobicContact CG-CD 4.37Å; E114-K118 VanDerWaalsContact O-CB 3.32Å; E114-K118 WeakPolarHBondContact O-CB 3.47Å; E114-K118 PolarHBondContact O-N 3.2Å; E114-K118 IonicContact OE1-NZ 3.58Å; E114-K118 IonicContact OE2-NZ 3.37Å; E114-K118 PolarHBondContact OE2-NZ 3.12Å; K118-T121 VanDerWaalsContact C-OG1 3.28Å; K118-T121 WeakPolarHBondContact CA-OG1 3.48Å; K118-T121 PolarHBondContact N-OG1 3.46Å; K118-T121 PolarHBondContact O-OG1 3.45Å; K118-T121 VanDerWaalsContact O-OG1 3.11Å; K118-A122 VanDerWaalsContact O-CB 3.28Å; K118-A122 WeakPolarHBondContact O-CB 3.42Å; K118-A122 PolarHBondContact O-N 2.9Å
119	Q	96.6	Very high	96.6	Very high	118 Å²	118	46.9 Å²	46.9	55%	0.551	25%	0.248	S	C	*	.	I	π-helix	trans	-79.5	-46.8	-168.9	-56.3	178.5	17.1	0	0	111.4	E114 L115 S123	E114-Q119 PolarHBondContact O-N 2.71Å; L115-Q119 HydrophobicContact CD1-CB 4.14Å; L115-Q119 WeakPolarHBondContact O-CB 3.21Å; L115-Q119 PolarHBondContact O-N 3.16Å; L115-Q119 VanDerWaalsContact O-N 3.16Å; Q119-S123 WeakPolarHBondContact O-CB 3.29Å; Q119-S123 PolarHBondContact O-N 3.43Å; Q119-S123 VanDerWaalsContact O-N 3.09Å
120	M	96.6	Very high	96.6	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.025	26%	0.255	C	S	.	.	I	π-helix	trans	-70.6	-43.7	179.5	-65.7	-170	74.8	0	0	111.9	F51 L115 Y116 A122 S123 I124 L266 V270	F51-M120 HydrophobicContact CB-CB 4.42Å; F51-M120 HydrophobicContact CD1-CE 4Å; F51-M120 HydrophobicContact CD1-SD 3.77Å; F51-M120 HydrophobicContact CD2-CE 4.07Å; F51-M120 HydrophobicContact CE1-CE 3.55Å; F51-M120 HydrophobicContact CE1-SD 3.7Å; F51-M120 HydrophobicContact CE2-CE 3.62Å; F51-M120 HydrophobicContact CG-CB 4.31Å; F51-M120 HydrophobicContact CG-CE 4.26Å; F51-M120 HydrophobicContact CG-SD 4.3Å; F51-M120 HydrophobicContact CZ-CE 3.36Å; F51-M120 HydrophobicContact CZ-SD 4.17Å; L115-M120 HydrophobicContact CD1-CG 4.24Å; L115-M120 HydrophobicContact CG-CG 4.38Å; L115-M120 HydrophobicContact CG-SD 4.41Å; L115-M120 WeakPolarHBondContact O-CG 3.37Å; L115-M120 PolarHBondContact O-N 3.02Å; Y116-M120 HydrophobicContact CD1-SD 3.57Å; Y116-M120 VanDerWaalsContact CD1-SD 3.57Å; Y116-M120 HydrophobicContact CE1-SD 4.04Å; M120-A122 PolarHBondContact O-N 2.58Å; M120-S123 PolarHBondContact O-N 3.28Å; M120-I124 WeakPolarHBondContact O-CD1 3.37Å; M120-I124 WeakPolarHBondContact O-CG1 3.34Å; M120-I124 PolarHBondContact O-N 2.86Å; M120-L266 HydrophobicContact CB-CD1 4.42Å; M120-L266 HydrophobicContact CE-CD1 3.41Å; M120-L266 VanDerWaalsContact CE-CD1 3.41Å; M120-L266 HydrophobicContact CE-CD2 4.37Å; M120-L266 HydrophobicContact CE-CG 3.53Å; M120-L266 HydrophobicContact CG-CD1 4.33Å; M120-V270 HydrophobicContact CE-CG2 3.33Å; M120-V270 HydrophobicContact SD-CG2 3.62Å
121	T	97.7	Very high	96.6	Very high	11 Å²	11	44.5 Å²	44.5	7%	0.067	24%	0.241	C	C	.	.	H	α-helix	trans	-55.5	-48	175.7	44.4	0	0	0	0	112.2	Q48 F51 R52 Y116 G117 K118 I124 E125	Q48-T121 HydrophobicContact CG-CG2 4.12Å; Q48-T121 WeakPolarHBondContact CG-O 3.42Å; Q48-T121 PolarHBondContact NE2-O 3.43Å; F51-T121 HydrophobicContact CB-CG2 4.46Å; R52-T121 HydrophobicContact CB-CG2 3.86Å; R52-T121 HydrophobicContact CG-CG2 4.15Å; Y116-T121 WeakPolarHBondContact O-CG2 3.5Å; G117-T121 PolarHBondContact O-OG1 3.35Å; K118-T121 VanDerWaalsContact C-OG1 3.28Å; K118-T121 WeakPolarHBondContact CA-OG1 3.48Å; K118-T121 PolarHBondContact N-OG1 3.46Å; K118-T121 PolarHBondContact O-OG1 3.45Å; K118-T121 VanDerWaalsContact O-OG1 3.11Å; T121-I124 PolarHBondContact O-N 2.87Å; T121-E125 WeakPolarHBondContact O-CB 3.23Å; T121-E125 PolarHBondContact O-N 2.86Å
122	A	97.6	Very high	96.7	Very high	45 Å²	45	43.1 Å²	43.1	37%	0.372	23%	0.233	S	C	.	.	H	α-helix	trans	-68.8	-34.7	177.6	0	0	0	0	0	113.2	K118 M120 E125 T126	K118-A122 VanDerWaalsContact O-CB 3.28Å; K118-A122 WeakPolarHBondContact O-CB 3.42Å; K118-A122 PolarHBondContact O-N 2.9Å; M120-A122 PolarHBondContact O-N 2.58Å; A122-E125 PolarHBondContact O-N 3.33Å; A122-T126 WeakPolarHBondContact O-CB 3.49Å; A122-T126 PolarHBondContact O-N 3.15Å; A122-T126 PolarHBondContact O-OG1 2.99Å
123	S	97.6	Very high	96.7	Very high	44 Å²	44	48 Å²	48	31%	0.308	25%	0.254	S	S	.	.	H	α-helix	trans	-66.1	-41.7	175.5	-170	0	0	0	0	111.9	Q119 M120 R127 W262	Q119-S123 WeakPolarHBondContact O-CB 3.29Å; Q119-S123 PolarHBondContact O-N 3.43Å; Q119-S123 VanDerWaalsContact O-N 3.09Å; M120-S123 PolarHBondContact O-N 3.28Å; S123-R127 WeakPolarHBondContact O-CB 3.46Å; S123-R127 PolarHBondContact O-N 2.77Å; S123-W262 PolarHBondContact OG-NE1 2.94Å; S123-W262 VanDerWaalsContact OG-NE1 3.14Å
124	I	98.1	Very high	96.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66.3	-40.8	176	-62	159.7	0	0	0	110.6	L44 L47 Q48 F51 M120 T121 R127 C128 W262 L266	L44-I124 HydrophobicContact CB-CG2 4.07Å; L44-I124 VanDerWaalsContact O-CG2 3.24Å; L44-I124 WeakPolarHBondContact O-CG2 3.48Å; L47-I124 HydrophobicContact CD2-CD1 4.45Å; L47-I124 HydrophobicContact CG-CD1 4.24Å; Q48-I124 HydrophobicContact CB-CB 4.3Å; Q48-I124 HydrophobicContact CB-CD1 4.45Å; Q48-I124 HydrophobicContact CB-CG2 3.84Å; Q48-I124 HydrophobicContact CG-CB 4.17Å; Q48-I124 HydrophobicContact CG-CG2 4.2Å; F51-I124 HydrophobicContact CD2-CD1 3.71Å; F51-I124 HydrophobicContact CE2-CD1 4.32Å; M120-I124 WeakPolarHBondContact O-CD1 3.37Å; M120-I124 WeakPolarHBondContact O-CG1 3.34Å; M120-I124 PolarHBondContact O-N 2.86Å; T121-I124 PolarHBondContact O-N 2.87Å; I124-R127 PolarHBondContact O-N 2.98Å; I124-C128 PolarHBondContact O-N 2.86Å; I124-C128 PolarHBondContact O-SG 3.43Å; I124-W262 HydrophobicContact CB-CH2 4.26Å; I124-W262 HydrophobicContact CB-CZ2 4.36Å; I124-W262 HydrophobicContact CG1-CH2 3.82Å; I124-W262 HydrophobicContact CG1-CZ2 3.91Å; I124-W262 HydrophobicContact CG2-CH2 4.43Å; I124-L266 HydrophobicContact CD1-CD2 4.26Å; I124-L266 HydrophobicContact CG1-CD1 4.42Å; I124-L266 HydrophobicContact CG1-CD2 4.02Å
125	E	97.4	Very high	96.7	Very high	112 Å²	112	47.2 Å²	47.2	52%	0.523	25%	0.251	S	S	.	.	H	α-helix	trans	-58.9	-52.3	175.4	-161.2	163.5	179.1	0	0	111.9	Q48 T121 A122 R127 C128 E129	Q48-E125 PolarHBondContact NE2-OE2 2.81Å; T121-E125 WeakPolarHBondContact O-CB 3.23Å; T121-E125 PolarHBondContact O-N 2.86Å; A122-E125 PolarHBondContact O-N 3.33Å; E125-R127 VanDerWaalsContact C-N 3.26Å; E125-R127 PolarHBondContact O-N 3.02Å; E125-C128 WeakPolarHBondContact O-CB 3.15Å; E125-C128 PolarHBondContact O-N 3.32Å; E125-C128 VanDerWaalsContact O-N 3.09Å; E125-E129 PolarHBondContact O-N 3.09Å
126	T	97.1	Very high	96.7	Very high	76 Å²	76	52.9 Å²	52.9	47%	0.466	28%	0.276	S	S	.	.	H	α-helix	trans	-54.5	-44.5	175.5	-50.9	0	0	0	0	111	A122 E129 D130	A122-T126 WeakPolarHBondContact O-CB 3.49Å; A122-T126 PolarHBondContact O-N 3.15Å; A122-T126 PolarHBondContact O-OG1 2.99Å; T126-E129 PolarHBondContact O-N 3.03Å; T126-D130 PolarHBondContact O-N 3.05Å
127	R	96.1	Very high	96.7	Very high	36 Å²	36	58.5 Å²	58.5	14%	0.136	30%	0.297	C	S	.	.	H	α-helix	trans	-70.9	-31	-179.9	-170.5	58.2	-179.5	175.3	2	113.2	S123 I124 E125 D130 L131 L257 M259 W262	S123-R127 WeakPolarHBondContact O-CB 3.46Å; S123-R127 PolarHBondContact O-N 2.77Å; I124-R127 PolarHBondContact O-N 2.98Å; E125-R127 VanDerWaalsContact C-N 3.26Å; E125-R127 PolarHBondContact O-N 3.02Å; R127-D130 PolarHBondContact O-N 2.98Å; R127-L131 VanDerWaalsContact O-CB 3.27Å; R127-L131 WeakPolarHBondContact O-CB 3.15Å; R127-L131 PolarHBondContact O-N 2.71Å; R127-L257 PolarHBondContact NH2-O 2.86Å; R127-M259 HydrophobicContact CG-SD 4.19Å; R127-M259 PolarHBondContact NE-SD 3.02Å; R127-M259 PolarHBondContact NH2-SD 3.26Å; R127-W262 HydrophobicContact CB-CD2 4.28Å; R127-W262 HydrophobicContact CB-CE3 4.45Å; R127-W262 HydrophobicContact CB-CH2 3.93Å; R127-W262 HydrophobicContact CB-CZ2 3.75Å; R127-W262 HydrophobicContact CB-CZ3 4.29Å; R127-W262 HydrophobicContact CG-CD2 3.89Å; R127-W262 HydrophobicContact CG-CE3 3.8Å; R127-W262 HydrophobicContact CG-CH2 4.07Å; R127-W262 HydrophobicContact CG-CZ2 4.17Å; R127-W262 HydrophobicContact CG-CZ3 3.89Å
128	C	96.7	Very high	96.7	Very high	21 Å²	21	57.7 Å²	57.7	14%	0.142	29%	0.288	C	S	.	.	H	α-helix	trans	-64	-45.1	171.5	-67.3	0	0	0	0	111.4	L44 I124 E125 D130 A132	L44-C128 WeakPolarHBondContact CB-SG 3.43Å; I124-C128 PolarHBondContact O-N 2.86Å; I124-C128 PolarHBondContact O-SG 3.43Å; E125-C128 WeakPolarHBondContact O-CB 3.15Å; E125-C128 PolarHBondContact O-N 3.32Å; E125-C128 VanDerWaalsContact O-N 3.09Å; C128-D130 PolarHBondContact O-N 3.03Å; C128-A132 PolarHBondContact O-N 3.07Å
129	E	96.6	Very high	96.7	Very high	110 Å²	110	55.3 Å²	55.3	51%	0.514	28%	0.275	S	S	.	.	H	α-helix	trans	-60.7	-45.4	175.1	-65.2	-164.9	175.4	0	0	111.8	E125 T126 A132 K133	E125-E129 PolarHBondContact O-N 3.09Å; T126-E129 PolarHBondContact O-N 3.03Å; E129-A132 WeakPolarHBondContact O-CB 3.28Å; E129-A132 PolarHBondContact O-N 2.7Å; E129-K133 VanDerWaalsContact O-CG 3.24Å; E129-K133 WeakPolarHBondContact O-CG 3.34Å; E129-K133 PolarHBondContact O-N 3.34Å; E129-K133 WeakPolarHBondContact OE2-CE 2.98Å; E129-K133 IonicContact OE2-NZ 3.8Å; E129-K133 PolarHBondContact OE2-NZ 2.86Å
130	D	95.8	Very high	96.8	Very high	56 Å²	56	52.6 Å²	52.6	30%	0.299	26%	0.263	S	S	.	.	H	α-helix	trans	-68.2	-38.7	-177	-72.2	-10.9	0	0	0	112	T126 R127 C128 A132 K133 I134	T126-D130 PolarHBondContact O-N 3.05Å; R127-D130 PolarHBondContact O-N 2.98Å; C128-D130 PolarHBondContact O-N 3.03Å; D130-A132 VanDerWaalsContact C-N 3.31Å; D130-A132 PolarHBondContact O-N 3.01Å; D130-K133 PolarHBondContact O-N 3.25Å; D130-K133 IonicContact OD1-NZ 3.27Å; D130-K133 PolarHBondContact OD1-NZ 3.48Å; D130-I134 WeakPolarHBondContact O-CB 3.48Å; D130-I134 WeakPolarHBondContact O-CD1 3.46Å; D130-I134 WeakPolarHBondContact O-CG1 3.26Å; D130-I134 PolarHBondContact O-N 3.43Å
131	L	96.1	Very high	96.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.2	-40.7	171.3	-177.5	62	0	0	0	111.4	T37 Q40 M41 L44 R127 S135 M259	T37-L131 HydrophobicContact CG2-CD2 4.42Å; T37-L131 HydrophobicContact CG2-CG 4.02Å; Q40-L131 HydrophobicContact CB-CD2 3.81Å; M41-L131 HydrophobicContact CG-CD2 4.08Å; L44-L131 HydrophobicContact CD1-CD2 4.12Å; R127-L131 VanDerWaalsContact O-CB 3.27Å; R127-L131 WeakPolarHBondContact O-CB 3.15Å; R127-L131 PolarHBondContact O-N 2.71Å; L131-S135 WeakPolarHBondContact O-CB 3.49Å; L131-S135 PolarHBondContact O-N 2.84Å; L131-M259 HydrophobicContact CD1-SD 4.45Å
132	A	95.9	Very high	96.7	Very high	36 Å²	36	55.3 Å²	55.3	30%	0.298	28%	0.276	S	S	.	.	H	α-helix	trans	-64.8	-43.7	174.7	0	0	0	0	0	112.5	M41 C128 E129 D130 K136	M41-A132 HydrophobicContact CE-CB 4.03Å; M41-A132 HydrophobicContact SD-CB 3.82Å; C128-A132 PolarHBondContact O-N 3.07Å; E129-A132 WeakPolarHBondContact O-CB 3.28Å; E129-A132 PolarHBondContact O-N 2.7Å; D130-A132 VanDerWaalsContact C-N 3.31Å; D130-A132 PolarHBondContact O-N 3.01Å; A132-K136 WeakPolarHBondContact O-CB 3.46Å; A132-K136 PolarHBondContact O-N 3.27Å
133	K	96.5	Very high	96.6	Very high	106 Å²	106	55.4 Å²	55.4	46%	0.461	27%	0.274	S	S	.	.	H	α-helix	trans	-61.6	-49.6	176.7	-66.9	161.7	-153.9	156.2	0	111.2	E129 D130 R137	E129-K133 VanDerWaalsContact O-CG 3.24Å; E129-K133 WeakPolarHBondContact O-CG 3.34Å; E129-K133 PolarHBondContact O-N 3.34Å; E129-K133 WeakPolarHBondContact OE2-CE 2.98Å; E129-K133 IonicContact OE2-NZ 3.8Å; E129-K133 PolarHBondContact OE2-NZ 2.86Å; D130-K133 PolarHBondContact O-N 3.25Å; D130-K133 IonicContact OD1-NZ 3.27Å; D130-K133 PolarHBondContact OD1-NZ 3.48Å; K133-R137 PolarHBondContact O-N 3.44Å; K133-R137 VanDerWaalsContact O-N 3.16Å
134	I	96	Very high	96.6	Very high	53 Å²	53	59.9 Å²	59.9	27%	0.272	29%	0.285	S	S	.	.	H	α-helix	trans	-63.2	-52.7	179.3	-68.3	164.5	0	0	0	110.1	D130 K136 R137 C138	D130-I134 WeakPolarHBondContact O-CB 3.48Å; D130-I134 WeakPolarHBondContact O-CD1 3.46Å; D130-I134 WeakPolarHBondContact O-CG1 3.26Å; D130-I134 PolarHBondContact O-N 3.43Å; I134-K136 VanDerWaalsContact C-N 3.34Å; I134-K136 PolarHBondContact O-N 3.45Å; I134-R137 CarbonylContact O-C 3.4Å; I134-R137 WeakPolarHBondContact O-CA 3.43Å; I134-R137 WeakPolarHBondContact O-CB 3.38Å; I134-R137 PolarHBondContact O-N 3.34Å; I134-C138 PolarHBondContact O-N 3.49Å; I134-C138 PolarHBondContact O-SG 3.22Å; I134-C138 VanDerWaalsContact O-SG 3.34Å
135	S	95.9	Very high	96.4	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.3	-41.9	-178.9	-177.5	0	0	0	0	112.4	T37 L131 R137 C138 R139 M255	T37-S135 WeakPolarHBondContact CB-OG 3.4Å; T37-S135 VanDerWaalsContact OG1-CB 3.26Å; T37-S135 WeakPolarHBondContact OG1-CB 3.01Å; T37-S135 PolarHBondContact OG1-OG 3.27Å; L131-S135 WeakPolarHBondContact O-CB 3.49Å; L131-S135 PolarHBondContact O-N 2.84Å; S135-R137 VanDerWaalsContact C-N 3.33Å; S135-R137 PolarHBondContact O-N 2.74Å; S135-C138 PolarHBondContact O-N 3.27Å; S135-R139 WeakPolarHBondContact O-CG 3.47Å; S135-R139 PolarHBondContact O-N 2.96Å; S135-R139 PolarHBondContact OG-NH1 2.72Å; S135-M255 WeakPolarHBondContact OG-CE 3.49Å
136	K	96.6	Very high	96.2	Very high	123 Å²	123	56.6 Å²	56.6	54%	0.535	27%	0.273	S	S	.	.	H	α-helix	trans	-55.8	-48	171.5	-179	-174.4	171.6	-168.1	0	111.2	A132 I134 R139 E140	A132-K136 WeakPolarHBondContact O-CB 3.46Å; A132-K136 PolarHBondContact O-N 3.27Å; I134-K136 VanDerWaalsContact C-N 3.34Å; I134-K136 PolarHBondContact O-N 3.45Å; K136-R139 PolarHBondContact O-N 2.86Å; K136-E140 WeakPolarHBondContact CE-OE1 3.46Å; K136-E140 IonicContact NZ-OE1 3.57Å; K136-E140 WeakPolarHBondContact O-CG 3.41Å; K136-E140 PolarHBondContact O-N 3.34Å
137	R	97.4	Very high	96.1	Very high	130 Å²	130	57.4 Å²	57.4	49%	0.491	28%	0.275	S	S	.	.	H	α-helix	trans	-67.2	-37.8	-178.6	-171.8	54.6	172.8	174.6	1.7	112.8	K133 I134 S135 E140 I141	K133-R137 PolarHBondContact O-N 3.44Å; K133-R137 VanDerWaalsContact O-N 3.16Å; I134-R137 CarbonylContact O-C 3.4Å; I134-R137 WeakPolarHBondContact O-CA 3.43Å; I134-R137 WeakPolarHBondContact O-CB 3.38Å; I134-R137 PolarHBondContact O-N 3.34Å; S135-R137 VanDerWaalsContact C-N 3.33Å; S135-R137 PolarHBondContact O-N 2.74Å; R137-E140 WeakPolarHBondContact CD-OE2 3.15Å; R137-E140 IonicContact CZ-OE2 2.89Å; R137-E140 IonicContact NE-OE2 2.8Å; R137-E140 IonicContact NH1-OE2 2.71Å; R137-E140 PolarHBondContact NH1-OE2 2.94Å; R137-E140 WeakPolarHBondContact O-CB 3.46Å; R137-E140 PolarHBondContact O-N 3.13Å; R137-I141 HydrophobicContact CG-CD1 4.36Å; R137-I141 WeakPolarHBondContact O-CG1 3.22Å; R137-I141 PolarHBondContact O-N 2.69Å
138	C	97.3	Very high	96	Very high	6 Å²	6	59.7 Å²	59.7	4%	0.041	29%	0.287	C	S	.	.	H	α-helix	trans	-64.9	-38.1	174.1	-63.9	0	0	0	0	111.7	I134 S135 I141 G142 L251 M255	I134-C138 PolarHBondContact O-N 3.49Å; I134-C138 PolarHBondContact O-SG 3.22Å; I134-C138 VanDerWaalsContact O-SG 3.34Å; S135-C138 PolarHBondContact O-N 3.27Å; C138-I141 PolarHBondContact O-N 3.11Å; C138-G142 PolarHBondContact O-N 2.83Å; C138-L251 HydrophobicContact CB-CD2 4.48Å; C138-M255 HydrophobicContact CB-CG 3.39Å; C138-M255 HydrophobicContact CB-SD 3.82Å; C138-M255 VanDerWaalsContact SG-CG 3.56Å
139	R	96.2	Very high	95.8	Very high	74 Å²	74	59.2 Å²	59.2	28%	0.279	28%	0.283	S	S	.	.	H	α-helix	trans	-67.2	-34	172.9	-66.5	-170	-51.6	-104.4	19.3	113.1	L30 L33 S135 K136 S143	L30-R139 VanDerWaalsContact O-CD 3.25Å; L30-R139 WeakPolarHBondContact O-CD 3.16Å; L33-R139 HydrophobicContact CB-CG 4.37Å; S135-R139 WeakPolarHBondContact O-CG 3.47Å; S135-R139 PolarHBondContact O-N 2.96Å; S135-R139 PolarHBondContact OG-NH1 2.72Å; K136-R139 PolarHBondContact O-N 2.86Å; R139-S143 WeakPolarHBondContact O-CB 3.18Å; R139-S143 PolarHBondContact O-N 2.9Å
140	E	97.3	Very high	95.5	Very high	61 Å²	61	55.8 Å²	55.8	29%	0.285	27%	0.268	S	S	.	.	H	α-helix	trans	-62.2	-45.2	170.1	-70.3	168.6	-173	0	0	111.3	K136 R137 S143 Y144	K136-E140 WeakPolarHBondContact CE-OE1 3.46Å; K136-E140 IonicContact NZ-OE1 3.57Å; K136-E140 WeakPolarHBondContact O-CG 3.41Å; K136-E140 PolarHBondContact O-N 3.34Å; R137-E140 WeakPolarHBondContact CD-OE2 3.15Å; R137-E140 IonicContact CZ-OE2 2.89Å; R137-E140 IonicContact NE-OE2 2.8Å; R137-E140 IonicContact NH1-OE2 2.71Å; R137-E140 PolarHBondContact NH1-OE2 2.94Å; R137-E140 WeakPolarHBondContact O-CB 3.46Å; R137-E140 PolarHBondContact O-N 3.13Å; E140-S143 WeakPolarHBondContact O-CB 3.3Å; E140-S143 PolarHBondContact O-N 3.46Å; E140-Y144 WeakPolarHBondContact O-CD2 3.47Å; E140-Y144 PolarHBondContact O-N 2.69Å; E140-Y144 VanDerWaalsContact O-N 3.11Å
141	I	97.1	Very high	95.4	Very high	72 Å²	72	59.6 Å²	59.6	37%	0.369	28%	0.278	S	S	.	.	H	α-helix	trans	-63.6	-46.1	177.5	-64.4	164	0	0	0	111.2	R137 C138 S143 Y144 S145 L251	R137-I141 HydrophobicContact CG-CD1 4.36Å; R137-I141 WeakPolarHBondContact O-CG1 3.22Å; R137-I141 PolarHBondContact O-N 2.69Å; C138-I141 PolarHBondContact O-N 3.11Å; I141-S143 VanDerWaalsContact C-N 3.26Å; I141-S143 PolarHBondContact O-N 2.91Å; I141-Y144 WeakPolarHBondContact O-CB 3.27Å; I141-Y144 PolarHBondContact O-N 3.47Å; I141-S145 PolarHBondContact O-N 3.33Å; I141-S145 PolarHBondContact O-OG 3.37Å; I141-L251 HydrophobicContact CB-CD2 4.15Å; I141-L251 HydrophobicContact CG2-CD2 3.94Å
142	G	96	Very high	95.2	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.1	-35.7	174.4	0	0	0	0	0	113	C138 S145 H146	C138-G142 PolarHBondContact O-N 2.83Å; G142-S145 WeakPolarHBondContact O-CB 3.38Å; G142-S145 PolarHBondContact O-N 3.15Å; G142-H146 PolarHBondContact O-CD2 3.11Å; G142-H146 VanDerWaalsContact O-CD2 3.22Å; G142-H146 PolarHBondContact O-N 2.91Å
143	S	95.9	Very high	94.8	Very high	47 Å²	47	59.4 Å²	59.4	33%	0.329	27%	0.273	S	S	.	.	H	α-helix	trans	-63.4	-40.5	172.4	-170.2	0	0	0	0	112.5	R139 E140 I141 H146 N147	R139-S143 WeakPolarHBondContact O-CB 3.18Å; R139-S143 PolarHBondContact O-N 2.9Å; E140-S143 WeakPolarHBondContact O-CB 3.3Å; E140-S143 PolarHBondContact O-N 3.46Å; I141-S143 VanDerWaalsContact C-N 3.26Å; I141-S143 PolarHBondContact O-N 2.91Å; S143-H146 PolarHBondContact O-N 3.41Å; S143-N147 VanDerWaalsContact O-CG 3.26Å; S143-N147 PolarHBondContact O-N 3.4Å; S143-N147 PolarHBondContact O-ND2 3.48Å
144	Y	95.8	Very high	94.5	Very high	138 Å²	138	58 Å²	58	54%	0.541	27%	0.273	S	S	.	.	H	α-helix	trans	-63.2	-42.5	172.4	-56.1	-43.5	0	0	0	111.8	E140 I141 H146 N147 E148	E140-Y144 WeakPolarHBondContact O-CD2 3.47Å; E140-Y144 PolarHBondContact O-N 2.69Å; E140-Y144 VanDerWaalsContact O-N 3.11Å; I141-Y144 WeakPolarHBondContact O-CB 3.27Å; I141-Y144 PolarHBondContact O-N 3.47Å; Y144-H146 PolarHBondContact O-N 3.29Å; Y144-N147 PolarHBondContact O-N 2.98Å; Y144-E148 PolarHBondContact O-N 3.25Å
145	S	94.7	Very high	94.4	Very high	34 Å²	34	59.9 Å²	59.9	24%	0.238	28%	0.281	C	S	.	.	H	α-helix	trans	-60.5	-42.2	173.9	-55.8	0	0	0	0	112.6	I141 G142 E148 L149	I141-S145 PolarHBondContact O-N 3.33Å; I141-S145 PolarHBondContact O-OG 3.37Å; G142-S145 WeakPolarHBondContact O-CB 3.38Å; G142-S145 PolarHBondContact O-N 3.15Å; S145-E148 PolarHBondContact O-N 3.3Å; S145-L149 WeakPolarHBondContact O-CG 3.27Å; S145-L149 PolarHBondContact O-N 3.02Å
146	H	94.2	Very high	94.2	Very high	10 Å²	10	61 Å²	61	5%	0.046	29%	0.287	C	S	.	.	H	α-helix	trans	-65.9	-37.4	176.7	-67.2	-177.8	0	0	0	112.1	M26 G142 S143 Y144 L149 N150 F243	M26-H146 PolarHBondContact O-CE1 3.23Å; M26-H146 PolarHBondContact O-ND1 2.95Å; M26-H146 VanDerWaalsContact O-ND1 3.15Å; G142-H146 PolarHBondContact O-CD2 3.11Å; G142-H146 VanDerWaalsContact O-CD2 3.22Å; G142-H146 PolarHBondContact O-N 2.91Å; S143-H146 PolarHBondContact O-N 3.41Å; Y144-H146 PolarHBondContact O-N 3.29Å; H146-L149 PolarHBondContact O-N 2.98Å; H146-N150 WeakPolarHBondContact O-CB 2.99Å; H146-N150 VanDerWaalsContact O-CG 3.3Å; H146-N150 PolarHBondContact O-N 3.34Å; H146-N150 PolarHBondContact O-ND2 3.48Å; H146-F243 AromaticContact CD2-CE2 3.97Å; H146-F243 AromaticContact CD2-CZ 3.51Å; H146-F243 AromaticContact NE2-CE1 3.78Å; H146-F243 AromaticContact NE2-CZ 3.19Å; H146-F243 WeakPolarHBondContact NE2-CZ 3.24Å
147	N	93.9	Very high	93.8	Very high	93 Å²	93	57.1 Å²	57.1	50%	0.497	27%	0.271	S	S	.	.	H	α-helix	trans	-65.6	-38.8	175	-71.9	-36.2	0	0	0	112	S143 Y144 N150 R151	S143-N147 VanDerWaalsContact O-CG 3.26Å; S143-N147 PolarHBondContact O-N 3.4Å; S143-N147 PolarHBondContact O-ND2 3.48Å; Y144-N147 PolarHBondContact O-N 2.98Å; N147-N150 PolarHBondContact O-N 3.13Å; N147-R151 PolarHBondContact O-N 3.42Å
148	E	94.3	Very high	93.5	Very high	83 Å²	83	54.7 Å²	54.7	39%	0.388	27%	0.271	S	S	.	.	H	α-helix	trans	-66.6	-43.5	175.3	-178.8	58.4	-168.2	0	0	112.3	Y144 S145 N150 R151 V152	Y144-E148 PolarHBondContact O-N 3.25Å; S145-E148 PolarHBondContact O-N 3.3Å; E148-N150 VanDerWaalsContact C-N 3.31Å; E148-N150 PolarHBondContact O-N 3.22Å; E148-R151 WeakPolarHBondContact O-CB 3.33Å; E148-R151 PolarHBondContact O-N 3.07Å; E148-R151 VanDerWaalsContact O-N 3.11Å; E148-R151 IonicContact OE1-CZ 2.68Å; E148-R151 IonicContact OE1-NE 2.74Å; E148-R151 IonicContact OE1-NH2 2.76Å; E148-R151 PolarHBondContact OE1-NH2 2.95Å; E148-R151 IonicContact OE2-CZ 3.95Å; E148-R151 VanDerWaalsContact OE2-CZ 3.27Å; E148-R151 IonicContact OE2-NE 2.73Å; E148-R151 PolarHBondContact OE2-NE 2.68Å; E148-R151 IonicContact OE2-NH2 3.14Å; E148-R151 PolarHBondContact OE2-NH2 2.83Å; E148-V152 PolarHBondContact O-N 3.42Å; E148-V152 VanDerWaalsContact O-N 3.12Å
149	L	92.5	Very high	93.4	Very high	11 Å²	11	55 Å²	55	6%	0.058	27%	0.273	C	S	.	.	H	α-helix	trans	-59.5	-42	172.3	-69.9	178.1	0	0	0	111.9	M26 S145 H146 R151 V152 L153 A239 L240 F243	M26-L149 HydrophobicContact CE-CD1 3.52Å; S145-L149 WeakPolarHBondContact O-CG 3.27Å; S145-L149 PolarHBondContact O-N 3.02Å; H146-L149 PolarHBondContact O-N 2.98Å; L149-R151 VanDerWaalsContact C-N 3.27Å; L149-R151 PolarHBondContact O-N 3.48Å; L149-V152 PolarHBondContact O-N 3.04Å; L149-L153 WeakPolarHBondContact O-CB 3.17Å; L149-L153 VanDerWaalsContact O-CG 3.26Å; L149-L153 WeakPolarHBondContact O-CG 3.35Å; L149-L153 PolarHBondContact O-N 2.93Å; L149-A239 HydrophobicContact CD2-CB 3.89Å; L149-L240 HydrophobicContact CD1-CD2 4.47Å; L149-L240 HydrophobicContact CD2-CD2 4.31Å; L149-F243 HydrophobicContact CD1-CB 3.86Å; L149-F243 HydrophobicContact CD1-CD1 3.71Å; L149-F243 HydrophobicContact CD1-CD2 4.17Å; L149-F243 HydrophobicContact CD1-CE1 4.35Å; L149-F243 HydrophobicContact CD1-CG 3.62Å; L149-F243 HydrophobicContact CD2-CB 4.36Å
150	N	90.7	Very high	93.2	Very high	39 Å²	39	54 Å²	54	21%	0.209	27%	0.273	C	S	.	.	H	α-helix	trans	-62.5	-32.8	175.7	-77.6	-44.1	0	0	0	112.8	R23 H146 N147 E148 T154	R23-N150 WeakPolarHBondContact CG-OD1 3.21Å; H146-N150 WeakPolarHBondContact O-CB 2.99Å; H146-N150 VanDerWaalsContact O-CG 3.3Å; H146-N150 PolarHBondContact O-N 3.34Å; H146-N150 PolarHBondContact O-ND2 3.48Å; N147-N150 PolarHBondContact O-N 3.13Å; E148-N150 VanDerWaalsContact C-N 3.31Å; E148-N150 PolarHBondContact O-N 3.22Å; N150-T154 WeakPolarHBondContact O-CB 3.43Å; N150-T154 PolarHBondContact O-N 2.9Å; N150-T154 PolarHBondContact O-OG1 2.53Å
151	R	93.1	Very high	92.9	Very high	135 Å²	135	56.2 Å²	56.2	51%	0.509	28%	0.281	S	S	.	.	H	α-helix	trans	-64	-54.4	173.2	-178.1	167.3	72.2	109.4	-10.3	111.1	N147 E148 L149 L153 T154 E155	N147-R151 PolarHBondContact O-N 3.42Å; E148-R151 WeakPolarHBondContact O-CB 3.33Å; E148-R151 PolarHBondContact O-N 3.07Å; E148-R151 VanDerWaalsContact O-N 3.11Å; E148-R151 IonicContact OE1-CZ 2.68Å; E148-R151 IonicContact OE1-NE 2.74Å; E148-R151 IonicContact OE1-NH2 2.76Å; E148-R151 PolarHBondContact OE1-NH2 2.95Å; E148-R151 IonicContact OE2-CZ 3.95Å; E148-R151 VanDerWaalsContact OE2-CZ 3.27Å; E148-R151 IonicContact OE2-NE 2.73Å; E148-R151 PolarHBondContact OE2-NE 2.68Å; E148-R151 IonicContact OE2-NH2 3.14Å; E148-R151 PolarHBondContact OE2-NH2 2.83Å; L149-R151 VanDerWaalsContact C-N 3.27Å; L149-R151 PolarHBondContact O-N 3.48Å; R151-L153 VanDerWaalsContact C-N 3.29Å; R151-L153 PolarHBondContact O-N 3.21Å; R151-T154 WeakPolarHBondContact O-CA 3.44Å; R151-T154 WeakPolarHBondContact O-CB 3.49Å; R151-T154 PolarHBondContact O-N 2.65Å; R151-E155 WeakPolarHBondContact CG-OE1 3.42Å; R151-E155 IonicContact NH1-OE1 3.79Å; R151-E155 PolarHBondContact O-N 3.04Å
152	V	91.8	Very high	92.8	Very high	22 Å²	22	56 Å²	56	13%	0.133	28%	0.283	C	S	.	.	H	α-helix	trans	-60.2	-37.4	179.5	-178.8	0	0	0	0	112	E148 L149 E155 L156 A236	E148-V152 PolarHBondContact O-N 3.42Å; E148-V152 VanDerWaalsContact O-N 3.12Å; L149-V152 PolarHBondContact O-N 3.04Å; V152-E155 PolarHBondContact O-N 3.25Å; V152-L156 WeakPolarHBondContact O-CB 3.34Å; V152-L156 PolarHBondContact O-N 3.36Å; V152-A236 HydrophobicContact CG1-CB 3.96Å
153	L	88.6	Confident	92.8	Very high	10 Å²	10	58.6 Å²	58.6	5%	0.052	29%	0.294	C	S	.	.	H	α-helix	trans	-69.5	-30.8	174.6	-67.9	173.8	0	0	0	113.2	F19 F22 L149 R151 L156 Q157 A236 L240	F19-L153 HydrophobicContact CD1-CB 4.21Å; F19-L153 HydrophobicContact CD1-CD1 4.48Å; F19-L153 HydrophobicContact CE1-CB 3.99Å; F19-L153 HydrophobicContact CE1-CD2 4.16Å; F19-L153 HydrophobicContact CE1-CG 4.47Å; F22-L153 HydrophobicContact CD1-CD1 3.76Å; F22-L153 HydrophobicContact CE1-CD1 3.33Å; F22-L153 HydrophobicContact CZ-CD1 3.89Å; L149-L153 WeakPolarHBondContact O-CB 3.17Å; L149-L153 VanDerWaalsContact O-CG 3.26Å; L149-L153 WeakPolarHBondContact O-CG 3.35Å; L149-L153 PolarHBondContact O-N 2.93Å; R151-L153 VanDerWaalsContact C-N 3.29Å; R151-L153 PolarHBondContact O-N 3.21Å; L153-L156 HydrophobicContact CD2-CD2 4.33Å; L153-Q157 WeakPolarHBondContact O-CG 3.27Å; L153-Q157 PolarHBondContact O-N 3.46Å; L153-A236 HydrophobicContact CD2-CB 4.3Å; L153-L240 HydrophobicContact CD2-CD1 4.32Å
154	T	90.1	Very high	92.7	Very high	76 Å²	76	61.3 Å²	61.3	47%	0.466	30%	0.301	S	S	.	.	H	α-helix	trans	-73.3	-37.6	175.3	-58.2	0	0	0	0	111.6	N150 R151 Q157 T158	N150-T154 WeakPolarHBondContact O-CB 3.43Å; N150-T154 PolarHBondContact O-N 2.9Å; N150-T154 PolarHBondContact O-OG1 2.53Å; R151-T154 WeakPolarHBondContact O-CA 3.44Å; R151-T154 WeakPolarHBondContact O-CB 3.49Å; R151-T154 PolarHBondContact O-N 2.65Å; T154-Q157 PolarHBondContact O-N 3.26Å; T154-T158 WeakPolarHBondContact O-CB 3.36Å; T154-T158 PolarHBondContact O-N 2.91Å; T154-T158 VanDerWaalsContact O-N 3.08Å; T154-T158 PolarHBondContact O-OG1 3.41Å
155	E	92.7	Very high	92.6	Very high	93 Å²	93	60.7 Å²	60.7	44%	0.435	31%	0.307	S	S	.	.	H	α-helix	trans	-60.5	-47.6	171	-68.9	168.2	-169.9	0	0	110.5	R151 V152 Q157 T158 A159	R151-E155 WeakPolarHBondContact CG-OE1 3.42Å; R151-E155 IonicContact NH1-OE1 3.79Å; R151-E155 PolarHBondContact O-N 3.04Å; V152-E155 PolarHBondContact O-N 3.25Å; E155-Q157 PolarHBondContact O-N 3.12Å; E155-T158 WeakPolarHBondContact O-CB 3.41Å; E155-T158 PolarHBondContact O-N 3.4Å; E155-T158 VanDerWaalsContact O-N 3.08Å; E155-A159 PolarHBondContact O-N 3.47Å
156	L	91.2	Very high	92.6	Very high	25 Å²	25	59.6 Å²	59.6	13%	0.131	30%	0.299	C	S	.	.	H	α-helix	trans	-55.5	-48.5	174.1	173.3	62.7	0	0	0	113.1	V152 L153 T158 A159 M160 Y229 C232 V233 A236	V152-L156 WeakPolarHBondContact O-CB 3.34Å; V152-L156 PolarHBondContact O-N 3.36Å; L153-L156 HydrophobicContact CD2-CD2 4.33Å; L156-T158 PolarHBondContact O-N 3.04Å; L156-A159 PolarHBondContact O-N 3.27Å; L156-M160 WeakPolarHBondContact O-CB 3.45Å; L156-M160 PolarHBondContact O-N 2.79Å; L156-Y229 HydrophobicContact CD1-CD2 3.89Å; L156-Y229 HydrophobicContact CD1-CE2 3.62Å; L156-C232 HydrophobicContact CB-CB 4.31Å; L156-C232 HydrophobicContact CD1-CB 3.91Å; L156-V233 HydrophobicContact CD1-CB 4.35Å; L156-V233 HydrophobicContact CD1-CG2 3.56Å; L156-A236 HydrophobicContact CD2-CB 3.82Å
157	Q	88.5	Confident	92.6	Very high	40 Å²	40	64.6 Å²	64.6	19%	0.187	32%	0.318	C	S	.	.	H	α-helix	trans	-58.8	-38	175.5	-74.9	-179.3	33.5	0	0	112.5	F19 L153 T154 E155 M160 K161	F19-Q157 HydrophobicContact CD2-CG 4.17Å; F19-Q157 HydrophobicContact CE1-CG 4.1Å; F19-Q157 HydrophobicContact CE2-CG 3.64Å; F19-Q157 HydrophobicContact CZ-CG 3.6Å; L153-Q157 WeakPolarHBondContact O-CG 3.27Å; L153-Q157 PolarHBondContact O-N 3.46Å; T154-Q157 PolarHBondContact O-N 3.26Å; E155-Q157 PolarHBondContact O-N 3.12Å; Q157-M160 PolarHBondContact O-N 3.1Å; Q157-K161 WeakPolarHBondContact O-CG 3.35Å; Q157-K161 PolarHBondContact O-N 3.45Å
158	T	92.9	Very high	92.7	Very high	80 Å²	80	63.2 Å²	63.2	49%	0.491	32%	0.319	S	S	.	.	H	α-helix	trans	-71.8	-42.6	-176.4	-57.2	0	0	0	0	110.8	T154 E155 L156 T162	T154-T158 WeakPolarHBondContact O-CB 3.36Å; T154-T158 PolarHBondContact O-N 2.91Å; T154-T158 VanDerWaalsContact O-N 3.08Å; T154-T158 PolarHBondContact O-OG1 3.41Å; E155-T158 WeakPolarHBondContact O-CB 3.41Å; E155-T158 PolarHBondContact O-N 3.4Å; E155-T158 VanDerWaalsContact O-N 3.08Å; L156-T158 PolarHBondContact O-N 3.04Å; T158-T162 WeakPolarHBondContact O-CB 3.36Å; T158-T162 PolarHBondContact O-N 3.02Å; T158-T162 PolarHBondContact O-OG1 3.14Å
159	A	93.4	Very high	92.7	Very high	12 Å²	12	62.7 Å²	62.7	10%	0.099	32%	0.317	C	S	.	.	H	α-helix	trans	-62.8	-42.6	172	0	0	0	0	0	111.9	E155 L156 T162 Y163 Y229 C232	E155-A159 PolarHBondContact O-N 3.47Å; L156-A159 PolarHBondContact O-N 3.27Å; A159-T162 PolarHBondContact O-N 2.89Å; A159-Y163 PolarHBondContact O-N 2.94Å; A159-Y229 HydrophobicContact CB-CD2 4.42Å; A159-C232 HydrophobicContact CB-CB 4.24Å
160	M	92.5	Very high	92.9	Very high	53 Å²	53	63.3 Å²	63.3	26%	0.261	32%	0.32	S	S	.	.	H	α-helix	trans	-58.8	-51.9	177.1	-170.6	178.5	71.5	0	0	112.3	L156 Q157 T162 Y163 Q164 Y229	L156-M160 WeakPolarHBondContact O-CB 3.45Å; L156-M160 PolarHBondContact O-N 2.79Å; Q157-M160 PolarHBondContact O-N 3.1Å; M160-T162 VanDerWaalsContact C-N 3.29Å; M160-T162 PolarHBondContact O-N 2.69Å; M160-Y163 PolarHBondContact O-N 3.36Å; M160-Q164 WeakPolarHBondContact O-CG 3.41Å; M160-Q164 PolarHBondContact O-N 3.16Å; M160-Y229 HydrophobicContact CB-CD2 3.73Å; M160-Y229 HydrophobicContact CB-CE2 3.47Å; M160-Y229 VanDerWaalsContact CB-CE2 3.47Å; M160-Y229 HydrophobicContact CG-CD2 4.28Å; M160-Y229 HydrophobicContact CG-CE2 3.67Å; M160-Y229 HydrophobicContact SD-CE2 4.26Å
161	K	92.2	Very high	93.1	Very high	107 Å²	107	63 Å²	63	47%	0.465	32%	0.32	S	S	.	.	H	α-helix	trans	-59.9	-40.3	177.5	-72.7	164.7	-179.4	164.6	0	111.4	Q157 Q164 L165	Q157-K161 WeakPolarHBondContact O-CG 3.35Å; Q157-K161 PolarHBondContact O-N 3.45Å; K161-Q164 PolarHBondContact O-N 3.07Å; K161-L165 WeakPolarHBondContact O-CG 3.29Å; K161-L165 PolarHBondContact O-N 2.9Å
162	T	94.6	Very high	93.1	Very high	68 Å²	68	57.3 Å²	57.3	42%	0.417	30%	0.304	S	S	.	.	H	α-helix	trans	-64.3	-42.7	177.2	-57.4	0	0	0	0	112	T158 A159 M160 C166 A225	T158-T162 WeakPolarHBondContact O-CB 3.36Å; T158-T162 PolarHBondContact O-N 3.02Å; T158-T162 PolarHBondContact O-OG1 3.14Å; A159-T162 PolarHBondContact O-N 2.89Å; M160-T162 VanDerWaalsContact C-N 3.29Å; M160-T162 PolarHBondContact O-N 2.69Å; T162-C166 PolarHBondContact O-N 2.75Å; T162-C166 VanDerWaalsContact O-N 3.09Å; T162-C166 PolarHBondContact O-SG 3.34Å; T162-A225 HydrophobicContact CG2-CB 4.33Å
163	Y	95.7	Very high	93.2	Very high	55 Å²	55	57 Å²	57	22%	0.216	30%	0.301	C	S	.	.	H	α-helix	trans	-62.9	-48.8	173.7	167.6	-122	0	0	0	111.9	A159 M160 L165 C166 Y167 R226 Y229	A159-Y163 PolarHBondContact O-N 2.94Å; M160-Y163 PolarHBondContact O-N 3.36Å; Y163-L165 VanDerWaalsContact C-N 3.34Å; Y163-L165 PolarHBondContact O-N 3.13Å; Y163-C166 PolarHBondContact O-N 3.42Å; Y163-C166 VanDerWaalsContact O-N 3.16Å; Y163-Y167 HydrophobicContact CE2-CD2 4.32Å; Y163-Y167 WeakPolarHBondContact O-CB 3.39Å; Y163-Y167 PolarHBondContact O-N 2.88Å; Y163-R226 HydrophobicContact CD2-CB 3.59Å; Y163-R226 HydrophobicContact CD2-CG 4.11Å; Y163-R226 HydrophobicContact CE2-CB 3.58Å; Y163-R226 HydrophobicContact CE2-CG 3.73Å; Y163-R226 HydrophobicContact CG-CB 4.38Å; Y163-Y229 AromaticContact CD1-CD1 3.95Å; Y163-Y229 HydrophobicContact CD1-CD1 3.95Å; Y163-Y229 HydrophobicContact CD1-CE1 4.41Å
164	Q	92.8	Very high	93.5	Very high	104 Å²	104	59.4 Å²	59.4	49%	0.486	31%	0.312	S	S	.	.	H	α-helix	trans	-55.4	-46	178.3	-73.3	169.9	-19.2	0	0	112.1	M160 K161 Y167 A168	M160-Q164 WeakPolarHBondContact O-CG 3.41Å; M160-Q164 PolarHBondContact O-N 3.16Å; K161-Q164 PolarHBondContact O-N 3.07Å; Q164-Y167 PolarHBondContact O-N 3.48Å; Q164-A168 WeakPolarHBondContact O-CB 3.49Å; Q164-A168 PolarHBondContact O-N 3.31Å
165	L	94.6	Very high	93.7	Very high	125 Å²	125	63.8 Å²	63.8	65%	0.654	32%	0.32	S	S	*	.	H	α-helix	trans	-63.1	-44.4	176.3	-71.4	169.9	0	0	0	112.5	K161 Y163 Y167 A168 E169	K161-L165 WeakPolarHBondContact O-CG 3.29Å; K161-L165 PolarHBondContact O-N 2.9Å; Y163-L165 VanDerWaalsContact C-N 3.34Å; Y163-L165 PolarHBondContact O-N 3.13Å; L165-Y167 VanDerWaalsContact C-N 3.33Å; L165-Y167 PolarHBondContact O-N 3.15Å; L165-A168 PolarHBondContact O-N 2.74Å; L165-E169 PolarHBondContact O-N 2.98Å
166	C	95.1	Very high	93.7	Very high	10 Å²	10	64.8 Å²	64.8	7%	0.068	32%	0.323	C	S	.	.	H	α-helix	trans	-67.7	-32.8	177.9	-64.8	0	0	0	0	112.6	T162 Y163 M170 C222 A225	T162-C166 PolarHBondContact O-N 2.75Å; T162-C166 VanDerWaalsContact O-N 3.09Å; T162-C166 PolarHBondContact O-SG 3.34Å; Y163-C166 PolarHBondContact O-N 3.42Å; Y163-C166 VanDerWaalsContact O-N 3.16Å; C166-M170 WeakPolarHBondContact O-CB 3.25Å; C166-M170 PolarHBondContact O-N 3.48Å; C166-C222 HydrophobicContact CB-CB 4.12Å; C166-A225 HydrophobicContact CB-CB 4.27Å
167	Y	94.4	Very high	93.9	Very high	116 Å²	116	65.1 Å²	65.1	46%	0.455	32%	0.323	S	S	.	.	H	α-helix	trans	-70.1	-43.5	175.5	-174.1	-102.9	0	0	0	111.5	Y163 Q164 L165 E169 M170 C171	Y163-Y167 HydrophobicContact CE2-CD2 4.32Å; Y163-Y167 WeakPolarHBondContact O-CB 3.39Å; Y163-Y167 PolarHBondContact O-N 2.88Å; Q164-Y167 PolarHBondContact O-N 3.48Å; L165-Y167 VanDerWaalsContact C-N 3.33Å; L165-Y167 PolarHBondContact O-N 3.15Å; Y167-E169 VanDerWaalsContact C-N 3.34Å; Y167-E169 PolarHBondContact O-N 3.18Å; Y167-M170 HydrophobicContact CD2-CE 3.75Å; Y167-M170 HydrophobicContact CE2-CE 3.67Å; Y167-M170 WeakPolarHBondContact O-CB 3.49Å; Y167-M170 PolarHBondContact O-N 3.09Å; Y167-C171 PolarHBondContact O-N 3.38Å; Y167-C171 PolarHBondContact O-SG 2.97Å; Y167-C171 VanDerWaalsContact O-SG 3.33Å
168	A	94.7	Very high	94.1	Very high	63 Å²	63	69.1 Å²	69.1	52%	0.521	34%	0.337	S	S	.	.	H	α-helix	trans	-61.2	-40.8	172.7	0	0	0	0	0	112.4	Q164 L165 G172	Q164-A168 WeakPolarHBondContact O-CB 3.49Å; Q164-A168 PolarHBondContact O-N 3.31Å; L165-A168 PolarHBondContact O-N 2.74Å; A168-G172 PolarHBondContact O-N 2.97Å
169	E	94.8	Very high	94.1	Very high	73 Å²	73	67.9 Å²	67.9	34%	0.341	33%	0.331	S	S	.	.	H	α-helix	trans	-60.6	-48.4	172.3	-170.8	-174.3	-174.6	0	0	111.2	L165 Y167 G172 I173 V218 K221	L165-E169 PolarHBondContact O-N 2.98Å; Y167-E169 VanDerWaalsContact C-N 3.34Å; Y167-E169 PolarHBondContact O-N 3.18Å; E169-G172 CarbonylContact O-C 3.4Å; E169-G172 WeakPolarHBondContact O-CA 3.48Å; E169-G172 PolarHBondContact O-N 3.35Å; E169-G172 VanDerWaalsContact O-N 3.1Å; E169-I173 WeakPolarHBondContact O-CG1 3.43Å; E169-I173 PolarHBondContact O-N 2.93Å; E169-V218 HydrophobicContact CB-CG1 4.33Å; E169-V218 HydrophobicContact CG-CG1 3.94Å; E169-K221 IonicContact OE2-NZ 3.46Å; E169-K221 PolarHBondContact OE2-NZ 3.23Å
170	M	95.8	Very high	94	Very high	24 Å²	24	67.4 Å²	67.4	12%	0.118	33%	0.327	C	S	.	.	H	α-helix	trans	-57.1	-52.6	178.2	-172.7	-168.3	74.7	0	0	111.6	C166 Y167 G172 I173 E174 F215 V218 R219 C222	C166-M170 WeakPolarHBondContact O-CB 3.25Å; C166-M170 PolarHBondContact O-N 3.48Å; Y167-M170 HydrophobicContact CD2-CE 3.75Å; Y167-M170 HydrophobicContact CE2-CE 3.67Å; Y167-M170 WeakPolarHBondContact O-CB 3.49Å; Y167-M170 PolarHBondContact O-N 3.09Å; M170-G172 PolarHBondContact O-N 3.21Å; M170-I173 CarbonylContact O-C 3.53Å; M170-I173 PolarHBondContact O-N 3.13Å; M170-E174 WeakPolarHBondContact O-CB 3.38Å; M170-E174 PolarHBondContact O-N 3.2Å; M170-F215 HydrophobicContact CG-CE2 3.97Å; M170-V218 HydrophobicContact CB-CG1 4.03Å; M170-R219 HydrophobicContact SD-CB 4.33Å; M170-R219 HydrophobicContact SD-CG 3.98Å; M170-C222 HydrophobicContact CB-CB 4.29Å; M170-C222 HydrophobicContact SD-CB 4.1Å
171	C	94.9	Very high	94	Very high	32 Å²	32	69.2 Å²	69.2	22%	0.216	34%	0.335	C	S	.	.	H	α-helix	trans	-64.2	-23.3	177.5	-64.1	0	0	0	0	112.9	Y167 R175	Y167-C171 PolarHBondContact O-N 3.38Å; Y167-C171 PolarHBondContact O-SG 2.97Å; Y167-C171 VanDerWaalsContact O-SG 3.33Å; C171-R175 PolarHBondContact O-NE 3.24Å
172	G	93.6	Very high	94.1	Very high	16 Å²	16	68.1 Å²	68.1	17%	0.165	33%	0.332	C	S	.	.	H	α-helix	trans	-77.2	-28.7	171.2	0	0	0	0	0	114.4	A168 E169 M170 K176	A168-G172 PolarHBondContact O-N 2.97Å; E169-G172 CarbonylContact O-C 3.4Å; E169-G172 WeakPolarHBondContact O-CA 3.48Å; E169-G172 PolarHBondContact O-N 3.35Å; E169-G172 VanDerWaalsContact O-N 3.1Å; M170-G172 PolarHBondContact O-N 3.21Å; G172-K176 WeakPolarHBondContact O-CD 3.28Å; G172-K176 WeakPolarHBondContact O-CE 3.4Å; G172-K176 WeakPolarHBondContact O-CG 3.37Å
173	I	94.4	Very high	93.8	Very high	16 Å²	16	67.7 Å²	67.7	8%	0.082	33%	0.327	C	S	.	.	H	α-helix	trans	-85.8	-38.5	174.3	-64.5	-61.9	0	0	0	111.3	E169 M170 R175 K176 K177 K214 F215 V218	E169-I173 WeakPolarHBondContact O-CG1 3.43Å; E169-I173 PolarHBondContact O-N 2.93Å; M170-I173 CarbonylContact O-C 3.53Å; M170-I173 PolarHBondContact O-N 3.13Å; I173-R175 PolarHBondContact O-N 2.85Å; I173-K176 CarbonylContact O-C 3.59Å; I173-K176 WeakPolarHBondContact O-CA 3.33Å; I173-K176 WeakPolarHBondContact O-CB 3.28Å; I173-K176 PolarHBondContact O-N 3.29Å; I173-K177 PolarHBondContact O-N 2.88Å; I173-K214 HydrophobicContact CD1-CD 4.37Å; I173-K214 HydrophobicContact CG2-CG 4.38Å; I173-F215 HydrophobicContact CG2-CB 4.03Å; I173-F215 HydrophobicContact CG2-CD2 4.44Å; I173-V218 HydrophobicContact CG1-CG2 4.4Å
174	E	94.5	Very high	93.4	Very high	60 Å²	60	65.8 Å²	65.8	28%	0.28	32%	0.321	S	S	.	.	H	α-helix	trans	-58.8	-47.6	179.6	-164.3	-161.3	140.7	0	0	111.8	M170 K176 K177 R178 F215	M170-E174 WeakPolarHBondContact O-CB 3.38Å; M170-E174 PolarHBondContact O-N 3.2Å; E174-K176 PolarHBondContact O-N 3.47Å; E174-K176 VanDerWaalsContact O-N 3.16Å; E174-K177 WeakPolarHBondContact O-CA 3.27Å; E174-K177 WeakPolarHBondContact O-CB 3.49Å; E174-K177 PolarHBondContact O-N 3.3Å; E174-R178 PolarHBondContact O-N 3.04Å; E174-R178 IonicContact OE1-CZ 2.79Å; E174-R178 IonicContact OE1-NH2 2.61Å; E174-R178 PolarHBondContact OE1-NH2 3.18Å; E174-F215 HydrophobicContact CB-CD2 4.02Å; E174-F215 HydrophobicContact CB-CE2 3.71Å; E174-F215 HydrophobicContact CG-CD2 4.26Å; E174-F215 HydrophobicContact CG-CE2 3.69Å; E174-F215 HydrophobicContact CG-CZ 4.21Å
175	R	94.6	Very high	93.2	Very high	167 Å²	167	66.7 Å²	66.7	63%	0.63	32%	0.323	S	S	*	.	H	α-helix	trans	-55.4	-32.7	173	-74.7	179	-74.5	165.5	-7.3	112.7	C171 I173 S179	C171-R175 PolarHBondContact O-NE 3.24Å; I173-R175 PolarHBondContact O-N 2.85Å; R175-S179 WeakPolarHBondContact O-CB 3.28Å; R175-S179 PolarHBondContact O-N 2.88Å
176	K	93.6	Very high	92.8	Very high	115 Å²	115	66.1 Å²	66.1	50%	0.5	31%	0.312	S	S	.	.	H	α-helix	trans	-83	-21.7	177.7	-63.9	172.4	-174.3	172.6	0	113.2	G172 I173 E174	G172-K176 WeakPolarHBondContact O-CD 3.28Å; G172-K176 WeakPolarHBondContact O-CE 3.4Å; G172-K176 WeakPolarHBondContact O-CG 3.37Å; I173-K176 CarbonylContact O-C 3.59Å; I173-K176 WeakPolarHBondContact O-CA 3.33Å; I173-K176 WeakPolarHBondContact O-CB 3.28Å; I173-K176 PolarHBondContact O-N 3.29Å; E174-K176 PolarHBondContact O-N 3.47Å; E174-K176 VanDerWaalsContact O-N 3.16Å
177	K	94.1	Very high	92.4	Very high	31 Å²	31	67.4 Å²	67.4	14%	0.135	32%	0.316	C	S	.	.	H	α-helix	trans	-70.9	-55.1	163.8	-179.6	-171.7	165.3	177.6	0	109.1	I173 E174 S179 A180 E181 F208 R211 E212 F215	I173-K177 PolarHBondContact O-N 2.88Å; E174-K177 WeakPolarHBondContact O-CA 3.27Å; E174-K177 WeakPolarHBondContact O-CB 3.49Å; E174-K177 PolarHBondContact O-N 3.3Å; K177-S179 PolarHBondContact O-N 3.16Å; K177-A180 CarbonylContact O-C 3.54Å; K177-A180 WeakPolarHBondContact O-CA 3.13Å; K177-A180 WeakPolarHBondContact O-CB 3.18Å; K177-A180 PolarHBondContact O-N 3.26Å; K177-E181 WeakPolarHBondContact CE-OE2 3.16Å; K177-E181 PolarHBondContact O-N 3.44Å; K177-F208 HydrophobicContact CD-CE2 4.28Å; K177-F208 HydrophobicContact CG-CD2 4.32Å; K177-F208 HydrophobicContact CG-CE2 3.81Å; K177-R211 HydrophobicContact CB-CB 4.37Å; K177-E212 HydrophobicContact CD-CB 4.3Å; K177-E212 WeakPolarHBondContact CE-OE1 3.49Å; K177-E212 IonicContact NZ-OE1 2.7Å; K177-E212 PolarHBondContact NZ-OE1 3.47Å; K177-F215 HydrophobicContact CD-CB 4.39Å; K177-F215 HydrophobicContact CD-CD1 4.32Å; K177-F215 HydrophobicContact CD-CG 4.4Å
178	R	93.8	Very high	91.9	Very high	124 Å²	124	64.7 Å²	64.7	47%	0.468	31%	0.307	S	S	.	.	H	α-helix	trans	-55.8	-46.9	-176.8	-159.4	-174.7	-58.3	166.9	-0.5	112.5	E174 A180 E181 E182	E174-R178 PolarHBondContact O-N 3.04Å; E174-R178 IonicContact OE1-CZ 2.79Å; E174-R178 IonicContact OE1-NH2 2.61Å; E174-R178 PolarHBondContact OE1-NH2 3.18Å; R178-A180 VanDerWaalsContact C-N 3.29Å; R178-A180 PolarHBondContact O-N 3.2Å; R178-E181 VanDerWaalsContact O-CB 3.31Å; R178-E181 WeakPolarHBondContact O-CB 3.33Å; R178-E181 PolarHBondContact O-N 2.81Å; R178-E181 VanDerWaalsContact O-N 3.15Å; R178-E182 WeakPolarHBondContact O-CG 3.45Å; R178-E182 PolarHBondContact O-N 3.32Å
179	S	93.1	Very high	91.5	Very high	54 Å²	54	66.8 Å²	66.8	38%	0.378	31%	0.31	S	S	.	.	H	α-helix	trans	-58.2	-37.9	173.5	-179.4	0	0	0	0	113.2	R175 K177 D183	R175-S179 WeakPolarHBondContact O-CB 3.28Å; R175-S179 PolarHBondContact O-N 2.88Å; K177-S179 PolarHBondContact O-N 3.16Å; S179-D183 WeakPolarHBondContact O-CB 3.36Å; S179-D183 PolarHBondContact O-N 3.45Å
180	A	90.8	Very high	90.9	Very high	2 Å²	2	67.4 Å²	67.4	2%	0.017	32%	0.323	C	S	.	.	H	α-helix	trans	-75.8	-29.3	178.6	0	0	0	0	0	112.7	K177 R178 D183 V184 Y207 F208 R211	K177-A180 CarbonylContact O-C 3.54Å; K177-A180 WeakPolarHBondContact O-CA 3.13Å; K177-A180 WeakPolarHBondContact O-CB 3.18Å; K177-A180 PolarHBondContact O-N 3.26Å; R178-A180 VanDerWaalsContact C-N 3.29Å; R178-A180 PolarHBondContact O-N 3.2Å; A180-D183 PolarHBondContact O-N 2.86Å; A180-V184 WeakPolarHBondContact O-CG2 3.48Å; A180-V184 PolarHBondContact O-N 3.35Å; A180-V184 VanDerWaalsContact O-N 3.11Å; A180-Y207 HydrophobicContact CB-CD1 3.74Å; A180-Y207 HydrophobicContact CB-CE1 3.65Å; A180-F208 HydrophobicContact CB-CB 4.43Å; A180-R211 HydrophobicContact CB-CG 4.32Å
181	E	92.7	Very high	90.2	Very high	92 Å²	92	69.2 Å²	69.2	43%	0.43	33%	0.333	S	S	.	.	H	α-helix	trans	-67.7	-47.4	172.8	-159.9	170.5	155.7	0	0	110.3	K177 R178 D183 V184 K185 F208	K177-E181 WeakPolarHBondContact CE-OE2 3.16Å; K177-E181 PolarHBondContact O-N 3.44Å; R178-E181 VanDerWaalsContact O-CB 3.31Å; R178-E181 WeakPolarHBondContact O-CB 3.33Å; R178-E181 PolarHBondContact O-N 2.81Å; R178-E181 VanDerWaalsContact O-N 3.15Å; E181-D183 VanDerWaalsContact C-N 3.33Å; E181-D183 PolarHBondContact O-N 3.02Å; E181-V184 PolarHBondContact O-N 3.23Å; E181-K185 PolarHBondContact O-N 2.86Å; E181-F208 HydrophobicContact CB-CD2 3.74Å; E181-F208 HydrophobicContact CB-CE2 3.54Å; E181-F208 HydrophobicContact CG-CD2 4.09Å; E181-F208 HydrophobicContact CG-CE2 3.5Å; E181-F208 VanDerWaalsContact CG-CE2 3.5Å; E181-F208 HydrophobicContact CG-CZ 4.07Å; E181-F208 WeakPolarHBondContact OE2-CE2 3.43Å
182	E	92.6	Very high	89.3	Confident	84 Å²	84	72.6 Å²	72.6	39%	0.393	35%	0.354	S	S	.	.	H	α-helix	trans	-62.6	-36.1	171.8	-65.7	168.2	-147	0	0	112.6	R178 K185 R186	R178-E182 WeakPolarHBondContact O-CG 3.45Å; R178-E182 PolarHBondContact O-N 3.32Å; E182-K185 PolarHBondContact O-N 2.94Å; E182-R186 VanDerWaalsContact CB-CZ 3.5Å; E182-R186 WeakPolarHBondContact O-CB 3.42Å; E182-R186 VanDerWaalsContact O-CG 3.23Å; E182-R186 WeakPolarHBondContact O-CG 3.36Å; E182-R186 PolarHBondContact O-N 2.83Å; E182-R186 PolarHBondContact O-NE 3.06Å; E182-R186 IonicContact OE2-CZ 3.38Å; E182-R186 IonicContact OE2-NH1 3.42Å; E182-R186 PolarHBondContact OE2-NH1 3.01Å; E182-R186 IonicContact OE2-NH2 2.68Å; E182-R186 PolarHBondContact OE2-NH2 2.85Å
183	D	89.3	Confident	88.1	Confident	59 Å²	59	75.4 Å²	75.4	32%	0.316	38%	0.383	S	S	.	.	H	α-helix	trans	-67.8	-34.4	176.2	-73.8	-27.4	0	0	0	112.8	S179 A180 E181 R186 Y187 L204	S179-D183 WeakPolarHBondContact O-CB 3.36Å; S179-D183 PolarHBondContact O-N 3.45Å; A180-D183 PolarHBondContact O-N 2.86Å; E181-D183 VanDerWaalsContact C-N 3.33Å; E181-D183 PolarHBondContact O-N 3.02Å; D183-R186 IonicContact OD1-CZ 2.64Å; D183-R186 IonicContact OD1-NE 3.45Å; D183-R186 IonicContact OD1-NH2 2.64Å; D183-R186 PolarHBondContact OD1-NH2 3.3Å; D183-Y187 PolarHBondContact O-N 2.84Å; D183-L204 HydrophobicContact CB-CD2 4.37Å
184	V	87.1	Confident	86.8	Confident	14 Å²	14	83.3 Å²	83.3	9%	0.085	42%	0.417	C	S	.	.	H	α-helix	trans	-65.5	-53.4	170	167.7	0	0	0	0	109.6	A180 E181 R186 Y187 E188 L204 V205 F208	A180-V184 WeakPolarHBondContact O-CG2 3.48Å; A180-V184 PolarHBondContact O-N 3.35Å; A180-V184 VanDerWaalsContact O-N 3.11Å; E181-V184 PolarHBondContact O-N 3.23Å; V184-R186 PolarHBondContact O-N 2.79Å; V184-Y187 WeakPolarHBondContact O-CB 2.95Å; V184-Y187 PolarHBondContact O-N 2.9Å; V184-E188 WeakPolarHBondContact CG1-OE1 3.42Å; V184-E188 WeakPolarHBondContact O-CG 3.34Å; V184-E188 PolarHBondContact O-N 2.9Å; V184-L204 HydrophobicContact CG2-CB 3.79Å; V184-V205 HydrophobicContact CG1-CG2 4Å; V184-V205 HydrophobicContact CG2-CG2 4.2Å; V184-F208 HydrophobicContact CG2-CB 4Å
185	K	87.9	Confident	85.5	Confident	123 Å²	123	83.5 Å²	83.5	54%	0.535	42%	0.416	S	S	.	.	H	α-helix	trans	-61.6	-45.4	-177.7	-172.9	178.5	176.6	179.8	0	112.8	E181 E182 Y187 E188 D189	E181-K185 PolarHBondContact O-N 2.86Å; E182-K185 PolarHBondContact O-N 2.94Å; K185-Y187 PolarHBondContact O-N 3.07Å; K185-E188 PolarHBondContact O-N 2.77Å; K185-D189 WeakPolarHBondContact CE-OD2 3.09Å; K185-D189 WeakPolarHBondContact O-CB 3.32Å; K185-D189 PolarHBondContact O-N 3.41Å
186	R	87.9	Confident	84	Confident	114 Å²	114	82.7 Å²	82.7	43%	0.43	42%	0.419	S	S	.	.	H	α-helix	trans	-56.6	-33.4	174.4	-78.6	-175.4	-76.1	-102.1	1.6	112	E182 D183 V184 S190	E182-R186 VanDerWaalsContact CB-CZ 3.5Å; E182-R186 WeakPolarHBondContact O-CB 3.42Å; E182-R186 VanDerWaalsContact O-CG 3.23Å; E182-R186 WeakPolarHBondContact O-CG 3.36Å; E182-R186 PolarHBondContact O-N 2.83Å; E182-R186 PolarHBondContact O-NE 3.06Å; E182-R186 IonicContact OE2-CZ 3.38Å; E182-R186 IonicContact OE2-NH1 3.42Å; E182-R186 PolarHBondContact OE2-NH1 3.01Å; E182-R186 IonicContact OE2-NH2 2.68Å; E182-R186 PolarHBondContact OE2-NH2 2.85Å; D183-R186 IonicContact OD1-CZ 2.64Å; D183-R186 IonicContact OD1-NE 3.45Å; D183-R186 IonicContact OD1-NH2 2.64Å; D183-R186 PolarHBondContact OD1-NH2 3.3Å; V184-R186 PolarHBondContact O-N 2.79Å; R186-S190 WeakPolarHBondContact O-CB 3.39Å; R186-S190 PolarHBondContact O-N 2.82Å; R186-S190 VanDerWaalsContact O-N 3.17Å; R186-S190 PolarHBondContact O-OG 3.4Å
187	Y	85.2	Confident	82.7	Confident	37 Å²	37	79.4 Å²	79.4	15%	0.145	42%	0.418	C	S	.	.	H	α-helix	trans	-75.2	-38.4	176.2	-172.7	-89	0	0	0	112.3	D183 V184 K185 S190 N191 S198 R200 H201 L204	D183-Y187 PolarHBondContact O-N 2.84Å; V184-Y187 WeakPolarHBondContact O-CB 2.95Å; V184-Y187 PolarHBondContact O-N 2.9Å; K185-Y187 PolarHBondContact O-N 3.07Å; Y187-S190 PolarHBondContact O-N 3.46Å; Y187-N191 WeakPolarHBondContact CE2-OD1 3.13Å; Y187-N191 VanDerWaalsContact CZ-OD1 3.32Å; Y187-N191 WeakPolarHBondContact O-CB 3.36Å; Y187-N191 PolarHBondContact O-N 2.94Å; Y187-N191 VanDerWaalsContact O-N 3.15Å; Y187-S198 PolarHBondContact OH-OG 3.32Å; Y187-R200 HydrophobicContact CD2-CG 4.27Å; Y187-R200 HydrophobicContact CE2-CB 4.17Å; Y187-R200 HydrophobicContact CE2-CG 3.86Å; Y187-H201 HydrophobicContact CD1-CB 3.84Å; Y187-H201 HydrophobicContact CE1-CB 3.6Å; Y187-L204 HydrophobicContact CD2-CD1 4.22Å; Y187-L204 HydrophobicContact CG-CD1 4Å
188	E	85.4	Confident	81.9	Confident	58 Å²	58	79.3 Å²	79.3	27%	0.271	42%	0.421	S	S	.	.	H	α-helix	trans	-65.1	-51.3	175.3	-68.1	161.5	171.7	0	0	111	V184 K185 S190 N191 Y195 H201	V184-E188 WeakPolarHBondContact CG1-OE1 3.42Å; V184-E188 WeakPolarHBondContact O-CG 3.34Å; V184-E188 PolarHBondContact O-N 2.9Å; K185-E188 PolarHBondContact O-N 2.77Å; E188-S190 PolarHBondContact O-N 3.46Å; E188-N191 CarbonylContact O-C 3.59Å; E188-N191 PolarHBondContact O-N 3.04Å; E188-Y195 HydrophobicContact CB-CD1 4.25Å; E188-Y195 HydrophobicContact CB-CE1 4.47Å; E188-Y195 HydrophobicContact CB-CG 4.45Å; E188-Y195 HydrophobicContact CG-CD1 4.35Å; E188-Y195 HydrophobicContact CG-CD2 4.02Å; E188-Y195 HydrophobicContact CG-CE2 4.29Å; E188-Y195 HydrophobicContact CG-CG 4.09Å; E188-H201 IonicContact OE1-CE1 2.65Å; E188-H201 PolarHBondContact OE1-CE1 3.21Å; E188-H201 VanDerWaalsContact OE1-CE1 3.24Å; E188-H201 IonicContact OE1-ND1 2.89Å
189	D	84.8	Confident	81.3	Confident	107 Å²	107	83.8 Å²	83.8	57%	0.572	44%	0.438	S	S	*	.	H	α-helix	trans	-57.8	-33.5	175.9	-68.5	-23.3	0	0	0	112.1	K185	K185-D189 WeakPolarHBondContact CE-OD2 3.09Å; K185-D189 WeakPolarHBondContact O-CB 3.32Å; K185-D189 PolarHBondContact O-N 3.41Å
190	S	83	Confident	80.7	Confident	87 Å²	87	89.5 Å²	89.5	61%	0.608	45%	0.451	S	S	*	.	H	α-helix	trans	-83.1	-13.4	178	-60.1	0	0	0	0	114.5	R186 Y187 E188 P192	R186-S190 WeakPolarHBondContact O-CB 3.39Å; R186-S190 PolarHBondContact O-N 2.82Å; R186-S190 VanDerWaalsContact O-N 3.17Å; R186-S190 PolarHBondContact O-OG 3.4Å; Y187-S190 PolarHBondContact O-N 3.46Å; E188-S190 PolarHBondContact O-N 3.46Å; S190-P192 VanDerWaalsContact C-CD 3.48Å
191	N	80.2	Confident	80.4	Confident	62 Å²	62	90.5 Å²	90.5	33%	0.332	46%	0.456	S	S	.	.	S	Bend	trans	-134.5	50.7	-176.8	-71.1	130.1	0	0	0	113	Y187 E188 G193 K194 Y195	Y187-N191 WeakPolarHBondContact CE2-OD1 3.13Å; Y187-N191 VanDerWaalsContact CZ-OD1 3.32Å; Y187-N191 WeakPolarHBondContact O-CB 3.36Å; Y187-N191 PolarHBondContact O-N 2.94Å; Y187-N191 VanDerWaalsContact O-N 3.15Å; E188-N191 CarbonylContact O-C 3.59Å; E188-N191 PolarHBondContact O-N 3.04Å; N191-G193 PolarHBondContact O-N 3.3Å; N191-K194 PolarHBondContact O-N 3.16Å; N191-Y195 WeakPolarHBondContact O-CD1 3.46Å; N191-Y195 PolarHBondContact O-N 2.99Å; N191-Y195 VanDerWaalsContact O-N 3.12Å
192	P	76	Confident	80	Confident	102 Å²	102	93.7 Å²	93.7	66%	0.662	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	131.7	-173.7	23.9	-35	0	0	0	112.2	S190 K194	S190-P192 VanDerWaalsContact C-CD 3.48Å; P192-K194 PolarHBondContact O-N 3.23Å; P192-K194 VanDerWaalsContact O-N 3.12Å
193	G	69.8	Low	79.7	Confident	76 Å²	76	93.3 Å²	93.3	78%	0.784	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	3.8	-179.9	0	0	0	0	0	116	N191	N191-G193 PolarHBondContact O-N 3.3Å
194	K	67.2	Low	79.7	Confident	182 Å²	182	92.4 Å²	92.4	79%	0.791	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.7	5.8	-179.8	-65.8	-174.2	-179.8	177.4	0	114.6	N191 P192	N191-K194 PolarHBondContact O-N 3.16Å; P192-K194 PolarHBondContact O-N 3.23Å; P192-K194 VanDerWaalsContact O-N 3.12Å
195	Y	66.8	Low	79.7	Confident	64 Å²	64	93.5 Å²	93.5	25%	0.251	47%	0.472	S	S	.	.			trans	-76.4	-30.3	176.5	62.4	-99.2	0	0	0	113	E188 N191 G197 S198 H201	E188-Y195 HydrophobicContact CB-CD1 4.25Å; E188-Y195 HydrophobicContact CB-CE1 4.47Å; E188-Y195 HydrophobicContact CB-CG 4.45Å; E188-Y195 HydrophobicContact CG-CD1 4.35Å; E188-Y195 HydrophobicContact CG-CD2 4.02Å; E188-Y195 HydrophobicContact CG-CE2 4.29Å; E188-Y195 HydrophobicContact CG-CG 4.09Å; N191-Y195 WeakPolarHBondContact O-CD1 3.46Å; N191-Y195 PolarHBondContact O-N 2.99Å; N191-Y195 VanDerWaalsContact O-N 3.12Å; Y195-G197 PolarHBondContact O-N 3.42Å; Y195-S198 WeakPolarHBondContact O-CB 3.33Å; Y195-S198 PolarHBondContact O-N 3.23Å; Y195-S198 VanDerWaalsContact O-N 3.08Å; Y195-H201 AromaticContact CD2-CE1 3.66Å; Y195-H201 AromaticContact CD2-ND1 3.91Å; Y195-H201 AromaticContact CD2-NE2 3.95Å; Y195-H201 WeakPolarHBondContact O-CB 3.41Å
196	E	63.2	Low	79.9	Confident	149 Å²	149	94.9 Å²	94.9	70%	0.696	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	135.9	-177.5	-62.3	-163.8	148.4	0	0	111.5	S198	E196-S198 PolarHBondContact O-N 3.38Å; E196-S198 VanDerWaalsContact O-N 3.16Å
197	G	65.6	Low	80	Confident	46 Å²	46	94 Å²	94	47%	0.474	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	-11.4	-174	0	0	0	0	0	115.7	Y195 R199 R202	Y195-G197 PolarHBondContact O-N 3.42Å; G197-R199 PolarHBondContact O-N 3.08Å; G197-R202 PolarHBondContact O-NE 3.41Å; G197-R202 PolarHBondContact O-NH2 3.48Å
198	S	77.9	Confident	80.3	Confident	30 Å²	30	93.7 Å²	93.7	21%	0.21	48%	0.475	C	S	.	.			trans	-56.7	136.9	176.5	170.2	0	0	0	0	111.8	Y187 Y195 E196 R200 H201 R202	Y187-S198 PolarHBondContact OH-OG 3.32Å; Y195-S198 WeakPolarHBondContact O-CB 3.33Å; Y195-S198 PolarHBondContact O-N 3.23Å; Y195-S198 VanDerWaalsContact O-N 3.08Å; E196-S198 PolarHBondContact O-N 3.38Å; E196-S198 VanDerWaalsContact O-N 3.16Å; S198-R200 PolarHBondContact O-N 2.9Å; S198-R200 PolarHBondContact OG-N 2.87Å; S198-H201 PolarHBondContact O-N 3.36Å; S198-R202 WeakPolarHBondContact O-CB 3.41Å; S198-R202 WeakPolarHBondContact O-CG 3.44Å; S198-R202 PolarHBondContact O-N 2.98Å
199	R	80.8	Confident	80.6	Confident	217 Å²	217	96.6 Å²	96.6	82%	0.819	49%	0.486	S	S	*	.	H	α-helix	trans	-61.4	-35.1	175.6	-173.4	178	179.7	-177.8	0.5	110.9	G197 S203	G197-R199 PolarHBondContact O-N 3.08Å; R199-S203 PolarHBondContact O-N 3.11Å; R199-S203 VanDerWaalsContact O-N 3.16Å; R199-S203 PolarHBondContact O-OG 2.95Å; R199-S203 VanDerWaalsContact O-OG 3.07Å
200	R	80.6	Confident	81	Confident	174 Å²	174	99.6 Å²	99.6	66%	0.657	49%	0.49	S	S	*	.	H	α-helix	trans	-73.1	-46.9	179.6	-174.7	166.8	173.4	178	-1.4	111.7	Y187 S198 S203 L204	Y187-R200 HydrophobicContact CD2-CG 4.27Å; Y187-R200 HydrophobicContact CE2-CB 4.17Å; Y187-R200 HydrophobicContact CE2-CG 3.86Å; S198-R200 PolarHBondContact O-N 2.9Å; S198-R200 PolarHBondContact OG-N 2.87Å; R200-S203 WeakPolarHBondContact O-CB 3.47Å; R200-S203 PolarHBondContact O-N 3.04Å; R200-L204 HydrophobicContact CG-CD1 4.34Å; R200-L204 WeakPolarHBondContact O-CG 3.45Å; R200-L204 PolarHBondContact O-N 3.43Å
201	H	84.4	Confident	81.4	Confident	24 Å²	24	98.7 Å²	98.7	11%	0.111	47%	0.473	C	S	.	.	H	α-helix	trans	-56	-52	173.1	173.1	75.3	0	0	0	111.5	Y187 E188 Y195 S198 S203 L204 V205	Y187-H201 HydrophobicContact CD1-CB 3.84Å; Y187-H201 HydrophobicContact CE1-CB 3.6Å; E188-H201 IonicContact OE1-CE1 2.65Å; E188-H201 PolarHBondContact OE1-CE1 3.21Å; E188-H201 VanDerWaalsContact OE1-CE1 3.24Å; E188-H201 IonicContact OE1-ND1 2.89Å; Y195-H201 AromaticContact CD2-CE1 3.66Å; Y195-H201 AromaticContact CD2-ND1 3.91Å; Y195-H201 AromaticContact CD2-NE2 3.95Å; Y195-H201 WeakPolarHBondContact O-CB 3.41Å; S198-H201 PolarHBondContact O-N 3.36Å; H201-S203 PolarHBondContact O-N 3.47Å; H201-L204 PolarHBondContact O-N 3.46Å; H201-V205 WeakPolarHBondContact O-CG2 3.49Å; H201-V205 PolarHBondContact O-N 3.08Å
202	R	83.4	Confident	82	Confident	159 Å²	159	98.8 Å²	98.8	60%	0.6	47%	0.471	S	S	*	.	H	α-helix	trans	-59.1	-32.7	178.3	-72.9	-173.5	-77.9	178.2	-4.4	113.2	G197 S198 K206	G197-R202 PolarHBondContact O-NE 3.41Å; G197-R202 PolarHBondContact O-NH2 3.48Å; S198-R202 WeakPolarHBondContact O-CB 3.41Å; S198-R202 WeakPolarHBondContact O-CG 3.44Å; S198-R202 PolarHBondContact O-N 2.98Å; R202-K206 VanDerWaalsContact O-CB 3.28Å; R202-K206 WeakPolarHBondContact O-CB 3.37Å; R202-K206 PolarHBondContact O-N 3.25Å; R202-K206 VanDerWaalsContact O-N 3.15Å
203	S	87.6	Confident	82.9	Confident	75 Å²	75	99.8 Å²	99.8	52%	0.524	47%	0.467	S	S	.	.	H	α-helix	trans	-70.8	-42.1	172.9	-68.7	0	0	0	0	113.1	R199 R200 H201 K206 Y207	R199-S203 PolarHBondContact O-N 3.11Å; R199-S203 VanDerWaalsContact O-N 3.16Å; R199-S203 PolarHBondContact O-OG 2.95Å; R199-S203 VanDerWaalsContact O-OG 3.07Å; R200-S203 WeakPolarHBondContact O-CB 3.47Å; R200-S203 PolarHBondContact O-N 3.04Å; H201-S203 PolarHBondContact O-N 3.47Å; S203-K206 PolarHBondContact O-N 3.34Å; S203-Y207 WeakPolarHBondContact O-CB 3.41Å; S203-Y207 PolarHBondContact O-N 2.9Å
204	L	88	Confident	84	Confident	40 Å²	40	101.1 Å²	101.1	21%	0.209	45%	0.452	C	S	.	.	H	α-helix	trans	-65.7	-47.2	176.9	-69.2	170.2	0	0	0	111.4	D183 V184 Y187 R200 H201 K206 Y207 F208	D183-L204 HydrophobicContact CB-CD2 4.37Å; V184-L204 HydrophobicContact CG2-CB 3.79Å; Y187-L204 HydrophobicContact CD2-CD1 4.22Å; Y187-L204 HydrophobicContact CG-CD1 4Å; R200-L204 HydrophobicContact CG-CD1 4.34Å; R200-L204 WeakPolarHBondContact O-CG 3.45Å; R200-L204 PolarHBondContact O-N 3.43Å; H201-L204 PolarHBondContact O-N 3.46Å; L204-K206 VanDerWaalsContact C-N 3.32Å; L204-K206 PolarHBondContact O-N 2.62Å; L204-Y207 CarbonylContact O-C 3.58Å; L204-Y207 WeakPolarHBondContact O-CA 3.24Å; L204-Y207 WeakPolarHBondContact O-CB 3.14Å; L204-Y207 PolarHBondContact O-N 3Å; L204-F208 PolarHBondContact O-N 3.12Å
205	V	88.5	Confident	85.3	Confident	38 Å²	38	93.6 Å²	93.6	23%	0.23	42%	0.419	C	S	.	.	H	α-helix	trans	-60.2	-40.2	176.2	174.3	0	0	0	0	111.5	V184 H201 Y207 F208 K209	V184-V205 HydrophobicContact CG1-CG2 4Å; V184-V205 HydrophobicContact CG2-CG2 4.2Å; H201-V205 WeakPolarHBondContact O-CG2 3.49Å; H201-V205 PolarHBondContact O-N 3.08Å; V205-Y207 VanDerWaalsContact C-N 3.32Å; V205-Y207 PolarHBondContact O-N 2.9Å; V205-F208 PolarHBondContact O-N 3.3Å; V205-K209 WeakPolarHBondContact O-CG 3.45Å; V205-K209 PolarHBondContact O-N 2.86Å
206	K	91	Very high	86.7	Confident	152 Å²	152	93.9 Å²	93.9	66%	0.661	42%	0.422	S	S	*	.	H	α-helix	trans	-67.4	-31.2	174.8	-172.2	169.4	-175.9	171.4	0	112.8	R202 S203 L204 R210	R202-K206 VanDerWaalsContact O-CB 3.28Å; R202-K206 WeakPolarHBondContact O-CB 3.37Å; R202-K206 PolarHBondContact O-N 3.25Å; R202-K206 VanDerWaalsContact O-N 3.15Å; S203-K206 PolarHBondContact O-N 3.34Å; L204-K206 VanDerWaalsContact C-N 3.32Å; L204-K206 PolarHBondContact O-N 2.62Å; K206-R210 WeakPolarHBondContact O-CB 3.48Å; K206-R210 PolarHBondContact O-N 3.22Å
207	Y	89.9	Confident	88.2	Confident	94 Å²	94	91.6 Å²	91.6	37%	0.369	42%	0.419	S	S	.	.	H	α-helix	trans	-73	-43.6	173.8	177.4	-112.7	0	0	0	111.9	A180 S203 L204 V205 R210 R211	A180-Y207 HydrophobicContact CB-CD1 3.74Å; A180-Y207 HydrophobicContact CB-CE1 3.65Å; S203-Y207 WeakPolarHBondContact O-CB 3.41Å; S203-Y207 PolarHBondContact O-N 2.9Å; L204-Y207 CarbonylContact O-C 3.58Å; L204-Y207 WeakPolarHBondContact O-CA 3.24Å; L204-Y207 WeakPolarHBondContact O-CB 3.14Å; L204-Y207 PolarHBondContact O-N 3Å; V205-Y207 VanDerWaalsContact C-N 3.32Å; V205-Y207 PolarHBondContact O-N 2.9Å; Y207-R210 PolarHBondContact O-N 3.22Å; Y207-R211 HydrophobicContact CE1-CG 4.36Å; Y207-R211 HydrophobicContact CE2-CG 4.26Å; Y207-R211 WeakPolarHBondContact O-CG 3.34Å; Y207-R211 PolarHBondContact O-N 2.66Å; Y207-R211 PolarHBondContact OH-NE 3.15Å; Y207-R211 PolarHBondContact OH-NH2 3.41Å
208	F	92.1	Very high	89.6	Confident	31 Å²	31	89.8 Å²	89.8	14%	0.136	40%	0.398	C	S	.	.	H	α-helix	trans	-57.2	-52.7	172.6	169	-100.8	0	0	0	111.6	K177 A180 E181 V184 L204 V205 R210 R211 E212	K177-F208 HydrophobicContact CD-CE2 4.28Å; K177-F208 HydrophobicContact CG-CD2 4.32Å; K177-F208 HydrophobicContact CG-CE2 3.81Å; A180-F208 HydrophobicContact CB-CB 4.43Å; E181-F208 HydrophobicContact CB-CD2 3.74Å; E181-F208 HydrophobicContact CB-CE2 3.54Å; E181-F208 HydrophobicContact CG-CD2 4.09Å; E181-F208 HydrophobicContact CG-CE2 3.5Å; E181-F208 VanDerWaalsContact CG-CE2 3.5Å; E181-F208 HydrophobicContact CG-CZ 4.07Å; E181-F208 WeakPolarHBondContact OE2-CE2 3.43Å; V184-F208 HydrophobicContact CG2-CB 4Å; L204-F208 PolarHBondContact O-N 3.12Å; V205-F208 PolarHBondContact O-N 3.3Å; F208-R210 VanDerWaalsContact C-N 3.31Å; F208-R210 PolarHBondContact O-N 3.18Å; F208-R211 CarbonylContact O-C 3.57Å; F208-R211 WeakPolarHBondContact O-CA 3.03Å; F208-R211 WeakPolarHBondContact O-CB 3.32Å; F208-R211 PolarHBondContact O-N 3.14Å; F208-E212 PolarHBondContact O-N 3.26Å
209	K	91.7	Very high	90.5	Very high	119 Å²	119	93.2 Å²	93.2	52%	0.517	41%	0.407	S	S	.	.	H	α-helix	trans	-57.7	-41	178.4	-72.6	-169.6	174.9	-167.3	0	112.8	V205 R211 E212 E213	V205-K209 WeakPolarHBondContact O-CG 3.45Å; V205-K209 PolarHBondContact O-N 2.86Å; K209-R211 VanDerWaalsContact C-N 3.31Å; K209-R211 PolarHBondContact O-N 2.73Å; K209-E212 WeakPolarHBondContact O-CB 3.41Å; K209-E212 PolarHBondContact O-N 3.01Å; K209-E213 WeakPolarHBondContact O-CB 3.44Å; K209-E213 VanDerWaalsContact O-CG 3.28Å; K209-E213 WeakPolarHBondContact O-CG 3.43Å; K209-E213 PolarHBondContact O-N 3.5Å
210	R	92.6	Very high	91.2	Very high	171 Å²	171	87.6 Å²	87.6	65%	0.645	39%	0.392	S	S	*	.	H	α-helix	trans	-64.3	-30.2	172.9	178.6	178.5	-77.7	-173.2	-8.3	113.5	K206 Y207 F208 K214	K206-R210 WeakPolarHBondContact O-CB 3.48Å; K206-R210 PolarHBondContact O-N 3.22Å; Y207-R210 PolarHBondContact O-N 3.22Å; F208-R210 VanDerWaalsContact C-N 3.31Å; F208-R210 PolarHBondContact O-N 3.18Å; R210-K214 PolarHBondContact O-N 3.21Å
211	R	92.1	Very high	92	Very high	67 Å²	67	84.2 Å²	84.2	25%	0.253	38%	0.382	S	S	.	.	H	α-helix	trans	-76.4	-35.3	173.2	-70.7	-65.9	-175.9	-154.2	-1.1	111.9	K177 A180 Y207 F208 K209 F215	K177-R211 HydrophobicContact CB-CB 4.37Å; A180-R211 HydrophobicContact CB-CG 4.32Å; Y207-R211 HydrophobicContact CE1-CG 4.36Å; Y207-R211 HydrophobicContact CE2-CG 4.26Å; Y207-R211 WeakPolarHBondContact O-CG 3.34Å; Y207-R211 PolarHBondContact O-N 2.66Å; Y207-R211 PolarHBondContact OH-NE 3.15Å; Y207-R211 PolarHBondContact OH-NH2 3.41Å; F208-R211 CarbonylContact O-C 3.57Å; F208-R211 WeakPolarHBondContact O-CA 3.03Å; F208-R211 WeakPolarHBondContact O-CB 3.32Å; F208-R211 PolarHBondContact O-N 3.14Å; K209-R211 VanDerWaalsContact C-N 3.31Å; K209-R211 PolarHBondContact O-N 2.73Å; R211-F215 WeakPolarHBondContact O-CB 3.44Å; R211-F215 PolarHBondContact O-N 3.39Å
212	E	92.6	Very high	92.5	Very high	64 Å²	64	83.4 Å²	83.4	30%	0.299	38%	0.379	S	S	.	.	H	α-helix	trans	-65.9	-51.8	173.7	178.7	160.8	-107.3	0	0	111.9	K177 F208 K209 K214 F215 E216	K177-E212 HydrophobicContact CD-CB 4.3Å; K177-E212 WeakPolarHBondContact CE-OE1 3.49Å; K177-E212 IonicContact NZ-OE1 2.7Å; K177-E212 PolarHBondContact NZ-OE1 3.47Å; F208-E212 PolarHBondContact O-N 3.26Å; K209-E212 WeakPolarHBondContact O-CB 3.41Å; K209-E212 PolarHBondContact O-N 3.01Å; E212-K214 VanDerWaalsContact C-N 3.27Å; E212-K214 PolarHBondContact O-N 2.8Å; E212-F215 CarbonylContact O-C 3.59Å; E212-F215 WeakPolarHBondContact O-CA 3.41Å; E212-F215 WeakPolarHBondContact O-CB 3.24Å; E212-F215 PolarHBondContact O-N 2.72Å; E212-E216 WeakPolarHBondContact O-CG 3.46Å; E212-E216 PolarHBondContact O-N 2.67Å
213	E	94.4	Very high	93.1	Very high	124 Å²	124	77.9 Å²	77.9	58%	0.579	36%	0.363	S	S	*	.	H	α-helix	trans	-50.2	-47	172.1	-71.9	160.3	-169.8	0	0	111.7	K209 E216 V217	K209-E213 WeakPolarHBondContact O-CB 3.44Å; K209-E213 VanDerWaalsContact O-CG 3.28Å; K209-E213 WeakPolarHBondContact O-CG 3.43Å; K209-E213 PolarHBondContact O-N 3.5Å; E213-E216 PolarHBondContact O-N 3.31Å; E213-V217 WeakPolarHBondContact O-CG2 3.29Å; E213-V217 PolarHBondContact O-N 3.23Å
214	K	93.3	Very high	93.6	Very high	104 Å²	104	81.2 Å²	81.2	45%	0.452	37%	0.368	S	S	.	.	H	α-helix	trans	-69.3	-33.5	177	-177.4	160.1	-177.3	161.5	0	112.9	I173 R210 E212 V218	I173-K214 HydrophobicContact CD1-CD 4.37Å; I173-K214 HydrophobicContact CG2-CG 4.38Å; R210-K214 PolarHBondContact O-N 3.21Å; E212-K214 VanDerWaalsContact C-N 3.27Å; E212-K214 PolarHBondContact O-N 2.8Å; K214-V218 HydrophobicContact CG-CG2 4.44Å; K214-V218 WeakPolarHBondContact O-CG2 3.39Å; K214-V218 PolarHBondContact O-N 3.47Å; K214-V218 VanDerWaalsContact O-N 3.17Å
215	F	95.3	Very high	93.9	Very high	24 Å²	24	80 Å²	80	11%	0.105	36%	0.363	C	S	.	.	H	α-helix	trans	-65.3	-46.3	174.5	173	-102.6	0	0	0	111.1	M170 I173 E174 K177 R211 E212 V217 V218 R219	M170-F215 HydrophobicContact CG-CE2 3.97Å; I173-F215 HydrophobicContact CG2-CB 4.03Å; I173-F215 HydrophobicContact CG2-CD2 4.44Å; E174-F215 HydrophobicContact CB-CD2 4.02Å; E174-F215 HydrophobicContact CB-CE2 3.71Å; E174-F215 HydrophobicContact CG-CD2 4.26Å; E174-F215 HydrophobicContact CG-CE2 3.69Å; E174-F215 HydrophobicContact CG-CZ 4.21Å; K177-F215 HydrophobicContact CD-CB 4.39Å; K177-F215 HydrophobicContact CD-CD1 4.32Å; K177-F215 HydrophobicContact CD-CG 4.4Å; R211-F215 WeakPolarHBondContact O-CB 3.44Å; R211-F215 PolarHBondContact O-N 3.39Å; E212-F215 CarbonylContact O-C 3.59Å; E212-F215 WeakPolarHBondContact O-CA 3.41Å; E212-F215 WeakPolarHBondContact O-CB 3.24Å; E212-F215 PolarHBondContact O-N 2.72Å; F215-V217 VanDerWaalsContact C-N 3.34Å; F215-V217 PolarHBondContact O-N 2.91Å; F215-V218 PolarHBondContact O-N 3.45Å; F215-R219 HydrophobicContact CE1-CB 4.46Å; F215-R219 HydrophobicContact CZ-CB 4.38Å; F215-R219 HydrophobicContact CZ-CG 4.38Å; F215-R219 VanDerWaalsContact O-CB 3.3Å; F215-R219 WeakPolarHBondContact O-CB 3.42Å; F215-R219 PolarHBondContact O-N 3.08Å
216	E	94.8	Very high	94.3	Very high	69 Å²	69	83.4 Å²	83.4	32%	0.322	37%	0.372	S	S	.	.	H	α-helix	trans	-58.5	-43.8	178.9	-66.4	-58.2	103.8	0	0	112.1	E212 E213 R219 L220	E212-E216 WeakPolarHBondContact O-CG 3.46Å; E212-E216 PolarHBondContact O-N 2.67Å; E213-E216 PolarHBondContact O-N 3.31Å; E216-R219 PolarHBondContact O-N 2.8Å; E216-R219 IonicContact OE1-CZ 3.47Å; E216-R219 IonicContact OE1-NH1 2.67Å; E216-R219 PolarHBondContact OE1-NH1 2.92Å; E216-R219 IonicContact OE1-NH2 3.85Å; E216-R219 IonicContact OE2-CZ 3.09Å; E216-R219 IonicContact OE2-NH1 3.57Å; E216-R219 PolarHBondContact OE2-NH1 3.4Å; E216-R219 IonicContact OE2-NH2 2.66Å; E216-R219 PolarHBondContact OE2-NH2 3.37Å; E216-L220 WeakPolarHBondContact O-CB 3.44Å; E216-L220 PolarHBondContact O-N 2.91Å
217	V	95.6	Very high	94.6	Very high	102 Å²	102	80 Å²	80	62%	0.618	36%	0.361	S	S	*	.	H	α-helix	trans	-62.4	-45	176.6	172.8	0	0	0	0	111.8	E213 F215 L220 K221	E213-V217 WeakPolarHBondContact O-CG2 3.29Å; E213-V217 PolarHBondContact O-N 3.23Å; F215-V217 VanDerWaalsContact C-N 3.34Å; F215-V217 PolarHBondContact O-N 2.91Å; V217-L220 PolarHBondContact O-N 2.97Å; V217-K221 PolarHBondContact O-N 3.1Å
218	V	95.3	Very high	95	Very high	7 Å²	7	80.8 Å²	80.8	4%	0.042	37%	0.368	C	S	.	.	H	α-helix	trans	-72.9	-35.2	179.6	176	0	0	0	0	111.6	E169 M170 I173 K214 F215 K221 C222	E169-V218 HydrophobicContact CB-CG1 4.33Å; E169-V218 HydrophobicContact CG-CG1 3.94Å; M170-V218 HydrophobicContact CB-CG1 4.03Å; I173-V218 HydrophobicContact CG1-CG2 4.4Å; K214-V218 HydrophobicContact CG-CG2 4.44Å; K214-V218 WeakPolarHBondContact O-CG2 3.39Å; K214-V218 PolarHBondContact O-N 3.47Å; K214-V218 VanDerWaalsContact O-N 3.17Å; F215-V218 PolarHBondContact O-N 3.45Å; V218-K221 WeakPolarHBondContact O-CB 3.2Å; V218-K221 PolarHBondContact O-N 2.9Å; V218-C222 WeakPolarHBondContact O-CB 3.46Å; V218-C222 PolarHBondContact O-N 3.43Å
219	R	96.5	Very high	95.1	Very high	103 Å²	103	81.9 Å²	81.9	39%	0.389	37%	0.372	S	S	.	.	H	α-helix	trans	-61.4	-44.5	172.2	-167	-169.7	75.2	-141.4	-11.9	110.4	M170 F215 E216 C222 T223	M170-R219 HydrophobicContact SD-CB 4.33Å; M170-R219 HydrophobicContact SD-CG 3.98Å; F215-R219 HydrophobicContact CE1-CB 4.46Å; F215-R219 HydrophobicContact CZ-CB 4.38Å; F215-R219 HydrophobicContact CZ-CG 4.38Å; F215-R219 VanDerWaalsContact O-CB 3.3Å; F215-R219 WeakPolarHBondContact O-CB 3.42Å; F215-R219 PolarHBondContact O-N 3.08Å; E216-R219 PolarHBondContact O-N 2.8Å; E216-R219 IonicContact OE1-CZ 3.47Å; E216-R219 IonicContact OE1-NH1 2.67Å; E216-R219 PolarHBondContact OE1-NH1 2.92Å; E216-R219 IonicContact OE1-NH2 3.85Å; E216-R219 IonicContact OE2-CZ 3.09Å; E216-R219 IonicContact OE2-NH1 3.57Å; E216-R219 PolarHBondContact OE2-NH1 3.4Å; E216-R219 IonicContact OE2-NH2 2.66Å; E216-R219 PolarHBondContact OE2-NH2 3.37Å; R219-C222 PolarHBondContact O-N 2.7Å; R219-T223 WeakPolarHBondContact O-CB 3.45Å; R219-T223 PolarHBondContact O-N 3.1Å; R219-T223 PolarHBondContact O-OG1 2.72Å
220	L	96.5	Very high	95.3	Very high	99 Å²	99	80.4 Å²	80.4	52%	0.518	37%	0.369	S	S	.	.	H	α-helix	trans	-64.6	-40.9	176.7	-175.1	61.1	0	0	0	112.1	E216 V217 T223 K224	E216-L220 WeakPolarHBondContact O-CB 3.44Å; E216-L220 PolarHBondContact O-N 2.91Å; V217-L220 PolarHBondContact O-N 2.97Å; L220-T223 PolarHBondContact O-N 2.77Å; L220-K224 WeakPolarHBondContact O-CG 3.36Å; L220-K224 PolarHBondContact O-N 3.13Å
221	K	95.9	Very high	95.4	Very high	103 Å²	103	77.1 Å²	77.1	45%	0.448	36%	0.364	S	S	.	.	H	α-helix	trans	-58.1	-48.6	172.1	-180	-169.5	174.7	-167.7	0	111.5	E169 V217 V218 K224 A225	E169-K221 IonicContact OE2-NZ 3.46Å; E169-K221 PolarHBondContact OE2-NZ 3.23Å; V217-K221 PolarHBondContact O-N 3.1Å; V218-K221 WeakPolarHBondContact O-CB 3.2Å; V218-K221 PolarHBondContact O-N 2.9Å; K221-K224 PolarHBondContact O-N 3.46Å; K221-A225 PolarHBondContact O-N 3.45Å; K221-A225 VanDerWaalsContact O-N 3.07Å
222	C	96.4	Very high	95.5	Very high	6 Å²	6	74.8 Å²	74.8	4%	0.041	36%	0.358	C	S	.	.	H	α-helix	trans	-62.2	-42.9	176.7	-177	0	0	0	0	112.1	C166 M170 V218 R219 K224 A225 R226	C166-C222 HydrophobicContact CB-CB 4.12Å; M170-C222 HydrophobicContact CB-CB 4.29Å; M170-C222 HydrophobicContact SD-CB 4.1Å; V218-C222 WeakPolarHBondContact O-CB 3.46Å; V218-C222 PolarHBondContact O-N 3.43Å; R219-C222 PolarHBondContact O-N 2.7Å; C222-K224 PolarHBondContact O-N 3.46Å; C222-A225 PolarHBondContact O-N 3.45Å; C222-R226 WeakPolarHBondContact O-CB 3.47Å; C222-R226 PolarHBondContact O-N 3.48Å
223	T	95.6	Very high	95.5	Very high	44 Å²	44	73.6 Å²	73.6	27%	0.27	36%	0.355	S	S	.	.	H	α-helix	trans	-61.3	-41.2	175.8	-61.4	0	0	0	0	112.1	R219 L220 R226 N227	R219-T223 WeakPolarHBondContact O-CB 3.45Å; R219-T223 PolarHBondContact O-N 3.1Å; R219-T223 PolarHBondContact O-OG1 2.72Å; L220-T223 PolarHBondContact O-N 2.77Å; T223-R226 PolarHBondContact O-N 2.83Å; T223-N227 WeakPolarHBondContact O-CB 3.39Å; T223-N227 PolarHBondContact O-N 3.03Å; T223-N227 PolarHBondContact O-OD1 3.18Å
224	K	97	Very high	95.4	Very high	145 Å²	145	75 Å²	75	63%	0.63	36%	0.359	S	S	*	.	H	α-helix	trans	-61.2	-50.1	173.9	-73.6	-176.3	177.7	-169.9	0	111.4	L220 K221 C222 R226 N227 E228	L220-K224 WeakPolarHBondContact O-CG 3.36Å; L220-K224 PolarHBondContact O-N 3.13Å; K221-K224 PolarHBondContact O-N 3.46Å; C222-K224 PolarHBondContact O-N 3.46Å; K224-R226 VanDerWaalsContact C-N 3.31Å; K224-R226 PolarHBondContact O-N 3.19Å; K224-N227 PolarHBondContact O-N 2.93Å; K224-E228 PolarHBondContact O-N 3.03Å
225	A	95.9	Very high	95.4	Very high	13 Å²	13	72.6 Å²	72.6	11%	0.107	36%	0.359	C	S	.	.	H	α-helix	trans	-61.4	-37.2	178.2	0	0	0	0	0	113	T162 C166 K221 C222 Y229	T162-A225 HydrophobicContact CG2-CB 4.33Å; C166-A225 HydrophobicContact CB-CB 4.27Å; K221-A225 PolarHBondContact O-N 3.45Å; K221-A225 VanDerWaalsContact O-N 3.07Å; C222-A225 PolarHBondContact O-N 3.45Å; A225-Y229 WeakPolarHBondContact O-CB 3.31Å; A225-Y229 PolarHBondContact O-N 2.84Å
226	R	96.6	Very high	95.3	Very high	111 Å²	111	71.5 Å²	71.5	42%	0.419	35%	0.354	S	S	.	.	H	α-helix	trans	-64.3	-45.1	173.9	-170.7	-170.5	66.2	177	-0.2	111.9	Y163 C222 T223 K224 E228 Y229 L230	Y163-R226 HydrophobicContact CD2-CB 3.59Å; Y163-R226 HydrophobicContact CD2-CG 4.11Å; Y163-R226 HydrophobicContact CE2-CB 3.58Å; Y163-R226 HydrophobicContact CE2-CG 3.73Å; Y163-R226 HydrophobicContact CG-CB 4.38Å; C222-R226 WeakPolarHBondContact O-CB 3.47Å; C222-R226 PolarHBondContact O-N 3.48Å; T223-R226 PolarHBondContact O-N 2.83Å; K224-R226 VanDerWaalsContact C-N 3.31Å; K224-R226 PolarHBondContact O-N 3.19Å; R226-E228 VanDerWaalsContact C-N 3.34Å; R226-Y229 PolarHBondContact O-N 3.42Å; R226-L230 HydrophobicContact CG-CD1 4.3Å; R226-L230 VanDerWaalsContact O-CG 3.32Å; R226-L230 WeakPolarHBondContact O-CG 3.5Å; R226-L230 PolarHBondContact O-N 2.94Å
227	N	97.1	Very high	95.2	Very high	79 Å²	79	70.7 Å²	70.7	42%	0.422	35%	0.352	S	S	.	.	H	α-helix	trans	-64.9	-41.2	179.9	-70.6	7.5	0	0	0	110.8	T223 K224 L230 L231	T223-N227 WeakPolarHBondContact O-CB 3.39Å; T223-N227 PolarHBondContact O-N 3.03Å; T223-N227 PolarHBondContact O-OD1 3.18Å; K224-N227 PolarHBondContact O-N 2.93Å; N227-L230 PolarHBondContact O-N 3.1Å; N227-L231 WeakPolarHBondContact O-CG 3.4Å; N227-L231 PolarHBondContact O-N 2.9Å
228	E	97.1	Very high	95.1	Very high	112 Å²	112	68.9 Å²	68.9	52%	0.523	35%	0.348	S	S	.	.	H	α-helix	trans	-59.9	-49.6	174.6	-165.4	62	-156.8	0	0	111.5	K224 R226 L230 L231 C232	K224-E228 PolarHBondContact O-N 3.03Å; R226-E228 VanDerWaalsContact C-N 3.34Å; E228-L230 VanDerWaalsContact C-N 3.29Å; E228-L230 PolarHBondContact O-N 3.36Å; E228-L231 WeakPolarHBondContact O-CA 3.43Å; E228-L231 WeakPolarHBondContact O-CB 3.39Å; E228-L231 PolarHBondContact O-N 3.29Å; E228-C232 PolarHBondContact O-N 2.74Å; E228-C232 PolarHBondContact O-SG 3.16Å; E228-C232 VanDerWaalsContact O-SG 3.35Å
229	Y	95.7	Very high	95	Very high	53 Å²	53	70 Å²	70	21%	0.208	36%	0.358	C	S	.	.	H	α-helix	trans	-56.3	-41.4	175.2	172.1	-123.9	0	0	0	112.5	L156 A159 M160 Y163 A225 R226 L231 C232 V233	L156-Y229 HydrophobicContact CD1-CD2 3.89Å; L156-Y229 HydrophobicContact CD1-CE2 3.62Å; A159-Y229 HydrophobicContact CB-CD2 4.42Å; M160-Y229 HydrophobicContact CB-CD2 3.73Å; M160-Y229 HydrophobicContact CB-CE2 3.47Å; M160-Y229 VanDerWaalsContact CB-CE2 3.47Å; M160-Y229 HydrophobicContact CG-CD2 4.28Å; M160-Y229 HydrophobicContact CG-CE2 3.67Å; M160-Y229 HydrophobicContact SD-CE2 4.26Å; Y163-Y229 AromaticContact CD1-CD1 3.95Å; Y163-Y229 HydrophobicContact CD1-CD1 3.95Å; Y163-Y229 HydrophobicContact CD1-CE1 4.41Å; A225-Y229 WeakPolarHBondContact O-CB 3.31Å; A225-Y229 PolarHBondContact O-N 2.84Å; R226-Y229 PolarHBondContact O-N 3.42Å; Y229-L231 VanDerWaalsContact C-N 3.31Å; Y229-L231 PolarHBondContact O-N 3.39Å; Y229-C232 PolarHBondContact O-N 2.7Å; Y229-V233 HydrophobicContact CD2-CG2 4.14Å; Y229-V233 HydrophobicContact CE1-CG2 4.46Å; Y229-V233 HydrophobicContact CE2-CG2 3.73Å; Y229-V233 VanDerWaalsContact O-CG2 3.31Å; Y229-V233 WeakPolarHBondContact O-CG2 3.22Å; Y229-V233 PolarHBondContact O-N 3.39Å
230	L	95.3	Very high	94.7	Very high	88 Å²	88	66.2 Å²	66.2	46%	0.461	35%	0.345	S	S	.	.	H	α-helix	trans	-67	-27.6	175.5	-70.4	169.8	0	0	0	113.6	R226 N227 E228 K234	R226-L230 HydrophobicContact CG-CD1 4.3Å; R226-L230 VanDerWaalsContact O-CG 3.32Å; R226-L230 WeakPolarHBondContact O-CG 3.5Å; R226-L230 PolarHBondContact O-N 2.94Å; N227-L230 PolarHBondContact O-N 3.1Å; E228-L230 VanDerWaalsContact C-N 3.29Å; E228-L230 PolarHBondContact O-N 3.36Å; L230-K234 WeakPolarHBondContact O-CG 3.24Å; L230-K234 PolarHBondContact O-N 3.44Å
231	L	95.3	Very high	94.5	Very high	102 Å²	102	65.9 Å²	65.9	53%	0.534	34%	0.341	S	S	.	.	H	α-helix	trans	-73.4	-45.8	171.3	-67.7	172.8	0	0	0	110.8	N227 E228 Y229 V233 K234 A235	N227-L231 WeakPolarHBondContact O-CG 3.4Å; N227-L231 PolarHBondContact O-N 2.9Å; E228-L231 WeakPolarHBondContact O-CA 3.43Å; E228-L231 WeakPolarHBondContact O-CB 3.39Å; E228-L231 PolarHBondContact O-N 3.29Å; Y229-L231 VanDerWaalsContact C-N 3.31Å; Y229-L231 PolarHBondContact O-N 3.39Å; L231-V233 VanDerWaalsContact C-N 3.3Å; L231-V233 PolarHBondContact O-N 3.03Å; L231-K234 PolarHBondContact O-N 3.29Å; L231-K234 VanDerWaalsContact O-N 3.12Å; L231-A235 PolarHBondContact O-N 3.44Å
232	C	94.2	Very high	94.4	Very high	19 Å²	19	67 Å²	67	13%	0.128	34%	0.342	C	S	.	.	H	α-helix	trans	-58.9	-39.6	174.7	-58.8	0	0	0	0	112.3	L156 A159 E228 Y229 K234 A235 A236	L156-C232 HydrophobicContact CB-CB 4.31Å; L156-C232 HydrophobicContact CD1-CB 3.91Å; A159-C232 HydrophobicContact CB-CB 4.24Å; E228-C232 PolarHBondContact O-N 2.74Å; E228-C232 PolarHBondContact O-SG 3.16Å; E228-C232 VanDerWaalsContact O-SG 3.35Å; Y229-C232 PolarHBondContact O-N 2.7Å; C232-K234 VanDerWaalsContact C-N 3.34Å; C232-K234 PolarHBondContact O-N 3.43Å; C232-A235 PolarHBondContact O-N 3.34Å; C232-A236 VanDerWaalsContact O-CB 3.29Å; C232-A236 WeakPolarHBondContact O-CB 3.37Å; C232-A236 PolarHBondContact O-N 2.92Å
233	V	92.4	Very high	94.3	Very high	38 Å²	38	67 Å²	67	23%	0.23	34%	0.341	C	S	.	.	H	α-helix	trans	-59.5	-44.5	174.8	167.6	0	0	0	0	111	L156 Y229 L231 N237	L156-V233 HydrophobicContact CD1-CB 4.35Å; L156-V233 HydrophobicContact CD1-CG2 3.56Å; Y229-V233 HydrophobicContact CD2-CG2 4.14Å; Y229-V233 HydrophobicContact CE1-CG2 4.46Å; Y229-V233 HydrophobicContact CE2-CG2 3.73Å; Y229-V233 VanDerWaalsContact O-CG2 3.31Å; Y229-V233 WeakPolarHBondContact O-CG2 3.22Å; Y229-V233 PolarHBondContact O-N 3.39Å; L231-V233 VanDerWaalsContact C-N 3.3Å; L231-V233 PolarHBondContact O-N 3.03Å; V233-N237 WeakPolarHBondContact O-CB 3.41Å; V233-N237 VanDerWaalsContact O-CG 3.26Å; V233-N237 PolarHBondContact O-N 3.07Å; V233-N237 PolarHBondContact O-ND2 3.31Å
234	K	91.9	Very high	94.1	Very high	153 Å²	153	67.4 Å²	67.4	67%	0.665	34%	0.339	S	S	*	.	H	α-helix	trans	-65.4	-44.3	177.2	-73.5	179.2	177.1	-174.2	0	112	L230 L231 C232 A238	L230-K234 WeakPolarHBondContact O-CG 3.24Å; L230-K234 PolarHBondContact O-N 3.44Å; L231-K234 PolarHBondContact O-N 3.29Å; L231-K234 VanDerWaalsContact O-N 3.12Å; C232-K234 VanDerWaalsContact C-N 3.34Å; C232-K234 PolarHBondContact O-N 3.43Å; K234-A238 WeakPolarHBondContact O-CB 3.49Å; K234-A238 PolarHBondContact O-N 3Å
235	A	93.8	Very high	93.8	Very high	54 Å²	54	63.7 Å²	63.7	45%	0.446	34%	0.336	S	S	.	.	H	α-helix	trans	-63.4	-47.5	179	0	0	0	0	0	112	L231 C232 A238 A239	L231-A235 PolarHBondContact O-N 3.44Å; C232-A235 PolarHBondContact O-N 3.34Å; A235-A238 PolarHBondContact O-N 3.47Å; A235-A239 WeakPolarHBondContact O-CB 3.24Å; A235-A239 PolarHBondContact O-N 3.11Å
236	A	92.3	Very high	93.7	Very high	2 Å²	2	66.9 Å²	66.9	2%	0.017	35%	0.349	C	S	.	.	H	α-helix	trans	-60.9	-47.1	177.3	0	0	0	0	0	112.1	V152 L153 L156 C232 A238 A239 L240	V152-A236 HydrophobicContact CG1-CB 3.96Å; L153-A236 HydrophobicContact CD2-CB 4.3Å; L156-A236 HydrophobicContact CD2-CB 3.82Å; C232-A236 VanDerWaalsContact O-CB 3.29Å; C232-A236 WeakPolarHBondContact O-CB 3.37Å; C232-A236 PolarHBondContact O-N 2.92Å; A236-A238 VanDerWaalsContact C-N 3.33Å; A236-A238 PolarHBondContact O-N 3.4Å; A236-A239 PolarHBondContact O-N 2.93Å; A236-L240 WeakPolarHBondContact O-CB 3.48Å; A236-L240 VanDerWaalsContact O-CG 3.26Å; A236-L240 WeakPolarHBondContact O-CG 3.32Å; A236-L240 PolarHBondContact O-N 3.36Å
237	N	92.1	Very high	93.7	Very high	52 Å²	52	63.2 Å²	63.2	28%	0.278	34%	0.338	S	S	.	.	H	α-helix	trans	-62.8	-39.5	177.5	-73.3	-16.6	0	0	0	111.9	V233 H241	V233-N237 WeakPolarHBondContact O-CB 3.41Å; V233-N237 VanDerWaalsContact O-CG 3.26Å; V233-N237 PolarHBondContact O-N 3.07Å; V233-N237 PolarHBondContact O-ND2 3.31Å; N237-H241 WeakPolarHBondContact O-CB 3.34Å; N237-H241 PolarHBondContact O-CD2 3.47Å; N237-H241 VanDerWaalsContact O-CD2 3.24Å; N237-H241 PolarHBondContact O-N 3.43Å
238	A	93.9	Very high	93.5	Very high	63 Å²	63	61 Å²	61	52%	0.521	33%	0.326	S	S	.	.	H	α-helix	trans	-64.9	-43.9	176.2	0	0	0	0	0	112.4	K234 A235 A236 H241 R242	K234-A238 WeakPolarHBondContact O-CB 3.49Å; K234-A238 PolarHBondContact O-N 3Å; A235-A238 PolarHBondContact O-N 3.47Å; A236-A238 VanDerWaalsContact C-N 3.33Å; A236-A238 PolarHBondContact O-N 3.4Å; A238-H241 PolarHBondContact O-N 2.98Å; A238-R242 PolarHBondContact O-N 3.39Å
239	A	93.3	Very high	93.4	Very high	31 Å²	31	58.4 Å²	58.4	26%	0.256	32%	0.32	S	S	.	.	H	α-helix	trans	-63.8	-45.3	177.4	0	0	0	0	0	112.1	L149 A235 A236 R242 F243	L149-A239 HydrophobicContact CD2-CB 3.89Å; A235-A239 WeakPolarHBondContact O-CB 3.24Å; A235-A239 PolarHBondContact O-N 3.11Å; A236-A239 PolarHBondContact O-N 2.93Å; A239-R242 PolarHBondContact O-N 3.27Å; A239-F243 PolarHBondContact O-N 3.36Å
240	L	91.4	Very high	93.4	Very high	24 Å²	24	62.1 Å²	62.1	13%	0.126	33%	0.334	C	S	.	.	H	α-helix	trans	-60.6	-47.6	174.7	-70.7	171.3	0	0	0	111.8	F22 L149 L153 A236 R242 F243 F244	F22-L240 HydrophobicContact CE2-CD2 4.01Å; F22-L240 HydrophobicContact CZ-CD2 3.52Å; L149-L240 HydrophobicContact CD1-CD2 4.47Å; L149-L240 HydrophobicContact CD2-CD2 4.31Å; L153-L240 HydrophobicContact CD2-CD1 4.32Å; A236-L240 WeakPolarHBondContact O-CB 3.48Å; A236-L240 VanDerWaalsContact O-CG 3.26Å; A236-L240 WeakPolarHBondContact O-CG 3.32Å; A236-L240 PolarHBondContact O-N 3.36Å; L240-R242 PolarHBondContact O-N 3.19Å; L240-F243 PolarHBondContact O-N 2.93Å; L240-F244 HydrophobicContact CD2-CE2 4.25Å; L240-F244 WeakPolarHBondContact O-CD2 3.32Å; L240-F244 PolarHBondContact O-N 3.01Å; L240-F244 VanDerWaalsContact O-N 3.08Å
241	H	91.8	Very high	93.4	Very high	92 Å²	92	58.7 Å²	58.7	43%	0.426	32%	0.316	S	S	.	.	H	α-helix	trans	-61.5	-42.7	178.3	-91.3	-68.4	0	0	0	112.1	N237 A238 A245	N237-H241 WeakPolarHBondContact O-CB 3.34Å; N237-H241 PolarHBondContact O-CD2 3.47Å; N237-H241 VanDerWaalsContact O-CD2 3.24Å; N237-H241 PolarHBondContact O-N 3.43Å; A238-H241 PolarHBondContact O-N 2.98Å; H241-A245 WeakPolarHBondContact O-CB 3.31Å; H241-A245 PolarHBondContact O-N 3.01Å
242	R	93.1	Very high	93.4	Very high	127 Å²	127	56 Å²	56	48%	0.479	30%	0.302	S	S	.	.	H	α-helix	trans	-60.1	-51.2	175.6	-171.2	-158.2	155.6	73.6	12	111	A238 A239 L240 F244 A245 Q246 D247	A238-R242 PolarHBondContact O-N 3.39Å; A239-R242 PolarHBondContact O-N 3.27Å; L240-R242 PolarHBondContact O-N 3.19Å; R242-F244 PolarHBondContact O-N 3.03Å; R242-A245 PolarHBondContact O-N 3.4Å; R242-Q246 WeakPolarHBondContact O-CB 3.03Å; R242-Q246 PolarHBondContact O-N 3.19Å; R242-D247 WeakPolarHBondContact CD-OD2 3.38Å; R242-D247 WeakPolarHBondContact CG-OD2 3.49Å; R242-D247 IonicContact CZ-OD1 2.77Å; R242-D247 VanDerWaalsContact CZ-OD1 3.24Å; R242-D247 IonicContact CZ-OD2 3.46Å; R242-D247 IonicContact NE-OD1 3.24Å; R242-D247 PolarHBondContact NE-OD1 3.17Å; R242-D247 IonicContact NE-OD2 3.43Å; R242-D247 PolarHBondContact NE-OD2 3.29Å; R242-D247 IonicContact NH2-OD1 2.66Å; R242-D247 PolarHBondContact NH2-OD1 3.11Å; R242-D247 PolarHBondContact O-N 2.98Å
243	F	94.4	Very high	93.5	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.018	32%	0.317	C	S	.	.	I	π-helix	trans	-58.7	-51.3	-175.4	177.5	-100.3	0	0	0	112.2	M26 H146 L149 A239 L240 D247 L248	M26-F243 HydrophobicContact CE-CD1 4.07Å; M26-F243 HydrophobicContact CE-CE1 3.97Å; M26-F243 HydrophobicContact SD-CE1 4.12Å; H146-F243 AromaticContact CD2-CE2 3.97Å; H146-F243 AromaticContact CD2-CZ 3.51Å; H146-F243 AromaticContact NE2-CE1 3.78Å; H146-F243 AromaticContact NE2-CZ 3.19Å; H146-F243 WeakPolarHBondContact NE2-CZ 3.24Å; L149-F243 HydrophobicContact CD1-CB 3.86Å; L149-F243 HydrophobicContact CD1-CD1 3.71Å; L149-F243 HydrophobicContact CD1-CD2 4.17Å; L149-F243 HydrophobicContact CD1-CE1 4.35Å; L149-F243 HydrophobicContact CD1-CG 3.62Å; L149-F243 HydrophobicContact CD2-CB 4.36Å; A239-F243 PolarHBondContact O-N 3.36Å; L240-F243 PolarHBondContact O-N 2.93Å; F243-D247 WeakPolarHBondContact CA-OD2 3.27Å; F243-D247 HydrophobicContact CD2-CB 3.91Å; F243-D247 HydrophobicContact CE2-CB 4.46Å; F243-D247 PolarHBondContact O-N 3.39Å; F243-L248 HydrophobicContact CZ-CB 4.48Å; F243-L248 PolarHBondContact O-N 3.36Å
244	F	91.8	Very high	93.6	Very high	53 Å²	53	60.1 Å²	60.1	23%	0.232	33%	0.325	C	S	.	.	I	π-helix	trans	-76.4	-23.5	-176.7	-75.2	-67.3	0	0	0	114.6	L5 F22 M26 L240 R242 L248	L5-F244 HydrophobicContact CD1-CB 4.07Å; L5-F244 HydrophobicContact CD2-CB 3.8Å; L5-F244 HydrophobicContact CD2-CD2 4.3Å; L5-F244 HydrophobicContact CD2-CG 4.05Å; L5-F244 HydrophobicContact CG-CB 4.4Å; F22-F244 HydrophobicContact CE2-CE2 4.46Å; M26-F244 HydrophobicContact CE-CE1 4.28Å; M26-F244 HydrophobicContact CE-CE2 3.77Å; M26-F244 HydrophobicContact CE-CZ 3.41Å; M26-F244 VanDerWaalsContact CE-CZ 3.41Å; M26-F244 HydrophobicContact SD-CZ 4.26Å; L240-F244 HydrophobicContact CD2-CE2 4.25Å; L240-F244 WeakPolarHBondContact O-CD2 3.32Å; L240-F244 PolarHBondContact O-N 3.01Å; L240-F244 VanDerWaalsContact O-N 3.08Å; R242-F244 PolarHBondContact O-N 3.03Å; F244-L248 HydrophobicContact CD1-CD2 4.44Å
245	A	90.5	Very high	93.8	Very high	68 Å²	68	52.8 Å²	52.8	56%	0.562	29%	0.293	S	S	*	.	I	π-helix	trans	-95.2	-17.8	179.5	0	0	0	0	0	114.1	H241 R242	H241-A245 WeakPolarHBondContact O-CB 3.31Å; H241-A245 PolarHBondContact O-N 3.01Å; R242-A245 PolarHBondContact O-N 3.4Å
246	Q	94.1	Very high	93.7	Very high	80 Å²	80	52.1 Å²	52.1	37%	0.374	28%	0.282	S	S	.	.	I	π-helix	trans	-135.8	-62.7	-174	-62.4	-178.6	-1.1	0	0	112.6	R242 L248 S249 Y250	R242-Q246 WeakPolarHBondContact O-CB 3.03Å; R242-Q246 PolarHBondContact O-N 3.19Å; Q246-L248 VanDerWaalsContact C-N 3.3Å; Q246-L248 PolarHBondContact O-N 3.36Å; Q246-S249 WeakPolarHBondContact O-CA 3.43Å; Q246-S249 WeakPolarHBondContact O-CB 3.29Å; Q246-S249 PolarHBondContact O-N 3.37Å; Q246-Y250 HydrophobicContact CB-CD2 4.37Å; Q246-Y250 HydrophobicContact CB-CE2 3.8Å; Q246-Y250 PolarHBondContact O-N 3.35Å
247	D	95.6	Very high	93.7	Very high	34 Å²	34	57.9 Å²	57.9	18%	0.182	31%	0.312	C	S	.	.	I	π-helix	trans	-63.9	-34.8	-167.2	-57.7	-51.3	0	0	0	112.7	R242 F243 S249 Y250 L251	R242-D247 WeakPolarHBondContact CD-OD2 3.38Å; R242-D247 WeakPolarHBondContact CG-OD2 3.49Å; R242-D247 IonicContact CZ-OD1 2.77Å; R242-D247 VanDerWaalsContact CZ-OD1 3.24Å; R242-D247 IonicContact CZ-OD2 3.46Å; R242-D247 IonicContact NE-OD1 3.24Å; R242-D247 PolarHBondContact NE-OD1 3.17Å; R242-D247 IonicContact NE-OD2 3.43Å; R242-D247 PolarHBondContact NE-OD2 3.29Å; R242-D247 IonicContact NH2-OD1 2.66Å; R242-D247 PolarHBondContact NH2-OD1 3.11Å; R242-D247 PolarHBondContact O-N 2.98Å; F243-D247 WeakPolarHBondContact CA-OD2 3.27Å; F243-D247 HydrophobicContact CD2-CB 3.91Å; F243-D247 HydrophobicContact CE2-CB 4.46Å; F243-D247 PolarHBondContact O-N 3.39Å; D247-S249 VanDerWaalsContact C-N 3.34Å; D247-S249 PolarHBondContact O-N 2.91Å; D247-Y250 PolarHBondContact O-N 3.03Å; D247-L251 WeakPolarHBondContact O-CG 3.12Å; D247-L251 PolarHBondContact O-N 3.46Å
248	L	92.9	Very high	93.8	Very high	33 Å²	33	56.6 Å²	56.6	17%	0.173	31%	0.311	C	S	.	.	H	α-helix	trans	-67.2	-30.6	173.9	-175.8	61.1	0	0	0	113.2	L33 F243 F244 Q246 I252	L33-L248 HydrophobicContact CD1-CD1 4.46Å; F243-L248 HydrophobicContact CZ-CB 4.48Å; F243-L248 PolarHBondContact O-N 3.36Å; F244-L248 HydrophobicContact CD1-CD2 4.44Å; Q246-L248 VanDerWaalsContact C-N 3.3Å; Q246-L248 PolarHBondContact O-N 3.36Å; L248-I252 WeakPolarHBondContact O-CG1 3.44Å; L248-I252 PolarHBondContact O-N 3.33Å
249	S	94.7	Very high	93.8	Very high	57 Å²	57	54.6 Å²	54.6	40%	0.399	29%	0.291	S	S	.	.	H	α-helix	trans	-67.7	-53.7	170.7	-167.1	0	0	0	0	109.4	Q246 D247 L251 I252 D253	Q246-S249 WeakPolarHBondContact O-CA 3.43Å; Q246-S249 WeakPolarHBondContact O-CB 3.29Å; Q246-S249 PolarHBondContact O-N 3.37Å; D247-S249 VanDerWaalsContact C-N 3.34Å; D247-S249 PolarHBondContact O-N 2.91Å; S249-L251 PolarHBondContact O-N 3.31Å; S249-L251 VanDerWaalsContact O-N 3.1Å; S249-I252 CarbonylContact O-C 3.45Å; S249-I252 WeakPolarHBondContact O-CA 3.43Å; S249-I252 WeakPolarHBondContact O-CB 3.39Å; S249-I252 PolarHBondContact O-N 3.05Å; S249-D253 PolarHBondContact O-N 2.9Å; S249-D253 PolarHBondContact OG-OD2 3.09Å
250	Y	96.6	Very high	93.8	Very high	131 Å²	131	56.1 Å²	56.1	51%	0.514	30%	0.295	S	S	.	.	H	α-helix	trans	-58.7	-30.1	-177	-57.9	-32.1	0	0	0	113.2	Q246 D247 D253 C254	Q246-Y250 HydrophobicContact CB-CD2 4.37Å; Q246-Y250 HydrophobicContact CB-CE2 3.8Å; Q246-Y250 PolarHBondContact O-N 3.35Å; D247-Y250 PolarHBondContact O-N 3.03Å; Y250-D253 PolarHBondContact N-OD2 3.23Å; Y250-C254 WeakPolarHBondContact O-CB 3.29Å; Y250-C254 PolarHBondContact O-N 3.21Å
251	L	95.9	Very high	94	Very high	15 Å²	15	62 Å²	62	8%	0.079	32%	0.32	C	S	.	.	H	α-helix	trans	-64.7	-43.3	170.4	-77.5	169.8	0	0	0	112.7	C138 I141 D247 S249 M255	C138-L251 HydrophobicContact CB-CD2 4.48Å; I141-L251 HydrophobicContact CB-CD2 4.15Å; I141-L251 HydrophobicContact CG2-CD2 3.94Å; D247-L251 WeakPolarHBondContact O-CG 3.12Å; D247-L251 PolarHBondContact O-N 3.46Å; S249-L251 PolarHBondContact O-N 3.31Å; S249-L251 VanDerWaalsContact O-N 3.1Å; L251-M255 VanDerWaalsContact O-CG 3.27Å; L251-M255 WeakPolarHBondContact O-CG 3.41Å; L251-M255 PolarHBondContact O-N 3.46Å; L251-M255 VanDerWaalsContact O-N 3.1Å
252	I	95	Very high	94.3	Very high	45 Å²	45	59.9 Å²	59.9	23%	0.231	31%	0.308	C	S	.	.	H	α-helix	trans	-70.5	-45.9	177.1	-63.5	166.8	0	0	0	110.4	L33 L248 S249 C254 M255 D256	L33-I252 HydrophobicContact CD2-CD1 4.23Å; L33-I252 HydrophobicContact CD2-CG1 3.76Å; L248-I252 WeakPolarHBondContact O-CG1 3.44Å; L248-I252 PolarHBondContact O-N 3.33Å; S249-I252 CarbonylContact O-C 3.45Å; S249-I252 WeakPolarHBondContact O-CA 3.43Å; S249-I252 WeakPolarHBondContact O-CB 3.39Å; S249-I252 PolarHBondContact O-N 3.05Å; I252-C254 PolarHBondContact O-N 3.21Å; I252-M255 WeakPolarHBondContact O-CA 3.46Å; I252-M255 WeakPolarHBondContact O-CB 3.34Å; I252-M255 PolarHBondContact O-N 3.12Å; I252-D256 PolarHBondContact O-N 3.43Å
253	D	95.3	Very high	94.4	Very high	86 Å²	86	56.9 Å²	56.9	46%	0.46	30%	0.301	S	S	.	.	H	α-helix	trans	-59	-34.3	177.6	-58.6	-44.6	0	0	0	111.3	S249 Y250 L257	S249-D253 PolarHBondContact O-N 2.9Å; S249-D253 PolarHBondContact OG-OD2 3.09Å; Y250-D253 PolarHBondContact N-OD2 3.23Å; D253-L257 PolarHBondContact O-N 3.15Å
254	C	95.6	Very high	94.5	Very high	58 Å²	58	63.3 Å²	63.3	39%	0.392	33%	0.326	S	S	.	.	H	α-helix	trans	-74.6	-32.1	173.2	-175.5	0	0	0	0	113.5	Y250 I252 L257	Y250-C254 WeakPolarHBondContact O-CB 3.29Å; Y250-C254 PolarHBondContact O-N 3.21Å; I252-C254 PolarHBondContact O-N 3.21Å; C254-L257 WeakPolarHBondContact O-CB 3.25Å
255	M	95	Very high	94.8	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-70.9	-40.9	175.8	-75.4	172.6	53.2	0	0	112.6	L33 T37 S135 C138 L251 I252 L257	L33-M255 HydrophobicContact CB-CE 4.31Å; L33-M255 HydrophobicContact CB-SD 4.38Å; L33-M255 HydrophobicContact CD2-SD 4.36Å; T37-M255 WeakPolarHBondContact OG1-CE 3.33Å; S135-M255 WeakPolarHBondContact OG-CE 3.49Å; C138-M255 HydrophobicContact CB-CG 3.39Å; C138-M255 HydrophobicContact CB-SD 3.82Å; C138-M255 VanDerWaalsContact SG-CG 3.56Å; L251-M255 VanDerWaalsContact O-CG 3.27Å; L251-M255 WeakPolarHBondContact O-CG 3.41Å; L251-M255 PolarHBondContact O-N 3.46Å; L251-M255 VanDerWaalsContact O-N 3.1Å; I252-M255 WeakPolarHBondContact O-CA 3.46Å; I252-M255 WeakPolarHBondContact O-CB 3.34Å; I252-M255 PolarHBondContact O-N 3.12Å; M255-L257 VanDerWaalsContact C-N 3.29Å; M255-L257 PolarHBondContact O-N 3.28Å
256	D	91.8	Very high	95.1	Very high	39 Å²	39	61.1 Å²	61.1	21%	0.209	32%	0.315	C	S	.	.	S	Bend	trans	-84.8	-0.9	-179.3	-67.1	-42.9	0	0	0	113.2	R36 Q40 I252 G258 M259	R36-D256 IonicContact CZ-OD2 3.71Å; R36-D256 IonicContact NE-OD2 2.66Å; R36-D256 IonicContact NH2-OD1 2.63Å; R36-D256 IonicContact NH2-OD2 2.61Å; R36-D256 PolarHBondContact NH2-OD2 2.95Å; Q40-D256 PolarHBondContact NE2-OD1 3.01Å; I252-D256 PolarHBondContact O-N 3.43Å; D256-G258 PolarHBondContact O-N 3.04Å; D256-M259 VanDerWaalsContact O-CB 3.24Å; D256-M259 WeakPolarHBondContact O-CB 3.36Å; D256-M259 WeakPolarHBondContact O-CG 3.45Å; D256-M259 PolarHBondContact O-N 2.92Å
257	L	93.6	Very high	95.2	Very high	123 Å²	123	62.2 Å²	62.2	64%	0.644	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	119.9	-172	-175.4	62.3	0	0	0	113.1	R127 D253 C254 M255 M259	R127-L257 PolarHBondContact NH2-O 2.86Å; D253-L257 PolarHBondContact O-N 3.15Å; C254-L257 WeakPolarHBondContact O-CB 3.25Å; M255-L257 VanDerWaalsContact C-N 3.29Å; M255-L257 PolarHBondContact O-N 3.28Å; L257-M259 VanDerWaalsContact C-N 3.26Å; L257-M259 PolarHBondContact O-N 2.9Å
258	G	92.9	Very high	95.2	Very high	25 Å²	25	64.8 Å²	64.8	26%	0.258	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	1	178.9	0	0	0	0	0	115.4	D256 D260 W262	D256-G258 PolarHBondContact O-N 3.04Å; G258-D260 VanDerWaalsContact C-N 3.31Å; G258-D260 PolarHBondContact O-N 3.43Å; G258-W262 WeakPolarHBondContact O-CB 3.46Å; G258-W262 PolarHBondContact O-N 3Å
259	M	93.6	Very high	95.4	Very high	21 Å²	21	67 Å²	67	10%	0.103	34%	0.342	C	S	.	.	H	α-helix	trans	-58.8	-42.7	175.6	-77.7	-57.2	-55.6	0	0	112	L44 R127 L131 D256 L257 W262 L263	L44-M259 HydrophobicContact CD1-CE 4.11Å; L44-M259 HydrophobicContact CD2-CE 4.43Å; R127-M259 HydrophobicContact CG-SD 4.19Å; R127-M259 PolarHBondContact NE-SD 3.02Å; R127-M259 PolarHBondContact NH2-SD 3.26Å; L131-M259 HydrophobicContact CD1-SD 4.45Å; D256-M259 VanDerWaalsContact O-CB 3.24Å; D256-M259 WeakPolarHBondContact O-CB 3.36Å; D256-M259 WeakPolarHBondContact O-CG 3.45Å; D256-M259 PolarHBondContact O-N 2.92Å; L257-M259 VanDerWaalsContact C-N 3.26Å; L257-M259 PolarHBondContact O-N 2.9Å; M259-W262 HydrophobicContact CE-CE3 4.3Å; M259-W262 HydrophobicContact CE-CZ3 4.27Å; M259-L263 HydrophobicContact CE-CD1 4.37Å; M259-L263 VanDerWaalsContact O-CB 3.3Å; M259-L263 WeakPolarHBondContact O-CB 3.28Å; M259-L263 VanDerWaalsContact O-CG 3.24Å; M259-L263 WeakPolarHBondContact O-CG 3.29Å; M259-L263 PolarHBondContact O-N 3.44Å
260	D	93.6	Very high	95.4	Very high	64 Å²	64	65.3 Å²	65.3	34%	0.342	33%	0.329	S	S	.	.	H	α-helix	trans	-71.7	-42.7	-177.2	71.2	-43.5	0	0	0	112.2	G258 L263 R264	G258-D260 VanDerWaalsContact C-N 3.31Å; G258-D260 PolarHBondContact O-N 3.43Å; D260-L263 PolarHBondContact O-N 2.84Å; D260-R264 WeakPolarHBondContact O-CB 3.35Å; D260-R264 VanDerWaalsContact O-CG 3.3Å; D260-R264 WeakPolarHBondContact O-CG 3.37Å; D260-R264 PolarHBondContact O-N 3.19Å; D260-R264 IonicContact OD2-CZ 3.21Å; D260-R264 IonicContact OD2-NH1 2.68Å; D260-R264 PolarHBondContact OD2-NH1 3.36Å; D260-R264 IonicContact OD2-NH2 2.7Å; D260-R264 PolarHBondContact OD2-NH2 2.77Å
261	F	96.3	Very high	95.4	Very high	148 Å²	148	62.8 Å²	62.8	65%	0.649	32%	0.324	S	S	*	.	H	α-helix	trans	-61.5	-45.1	173.8	-74.4	-85.8	0	0	0	112.1	R264 A265	F261-R264 PolarHBondContact O-N 3.49Å; F261-A265 WeakPolarHBondContact O-CB 3.38Å; F261-A265 PolarHBondContact O-N 3.07Å
262	W	97.4	Very high	95.3	Very high	47 Å²	47	65 Å²	65	18%	0.178	34%	0.336	C	S	.	.	H	α-helix	trans	-67	-41.9	177.3	172.4	81.1	0	0	0	112.1	L44 S123 I124 R127 G258 M259 R264 A265 L266	L44-W262 HydrophobicContact CD2-CH2 4.01Å; L44-W262 HydrophobicContact CD2-CZ3 3.77Å; S123-W262 PolarHBondContact OG-NE1 2.94Å; S123-W262 VanDerWaalsContact OG-NE1 3.14Å; I124-W262 HydrophobicContact CB-CH2 4.26Å; I124-W262 HydrophobicContact CB-CZ2 4.36Å; I124-W262 HydrophobicContact CG1-CH2 3.82Å; I124-W262 HydrophobicContact CG1-CZ2 3.91Å; I124-W262 HydrophobicContact CG2-CH2 4.43Å; R127-W262 HydrophobicContact CB-CD2 4.28Å; R127-W262 HydrophobicContact CB-CE3 4.45Å; R127-W262 HydrophobicContact CB-CH2 3.93Å; R127-W262 HydrophobicContact CB-CZ2 3.75Å; R127-W262 HydrophobicContact CB-CZ3 4.29Å; R127-W262 HydrophobicContact CG-CD2 3.89Å; R127-W262 HydrophobicContact CG-CE3 3.8Å; R127-W262 HydrophobicContact CG-CH2 4.07Å; R127-W262 HydrophobicContact CG-CZ2 4.17Å; R127-W262 HydrophobicContact CG-CZ3 3.89Å; G258-W262 WeakPolarHBondContact O-CB 3.46Å; G258-W262 PolarHBondContact O-N 3Å; M259-W262 HydrophobicContact CE-CE3 4.3Å; M259-W262 HydrophobicContact CE-CZ3 4.27Å; W262-R264 PolarHBondContact O-N 3Å; W262-A265 PolarHBondContact O-N 3Å; W262-L266 HydrophobicContact CH2-CD2 3.92Å; W262-L266 HydrophobicContact CZ2-CD1 4.37Å; W262-L266 HydrophobicContact CZ2-CD2 4.06Å; W262-L266 HydrophobicContact CZ3-CD2 4.4Å; W262-L266 WeakPolarHBondContact O-CB 3.45Å; W262-L266 PolarHBondContact O-N 3.3Å
263	L	96.1	Very high	95.3	Very high	63 Å²	63	64.2 Å²	64.2	33%	0.33	33%	0.331	S	S	.	.	H	α-helix	trans	-62.9	-40.2	174.9	-77.5	170.2	0	0	0	112.4	M259 D260 L266 L267	M259-L263 HydrophobicContact CE-CD1 4.37Å; M259-L263 VanDerWaalsContact O-CB 3.3Å; M259-L263 WeakPolarHBondContact O-CB 3.28Å; M259-L263 VanDerWaalsContact O-CG 3.24Å; M259-L263 WeakPolarHBondContact O-CG 3.29Å; M259-L263 PolarHBondContact O-N 3.44Å; D260-L263 PolarHBondContact O-N 2.84Å; L263-L266 HydrophobicContact CD2-CD2 4.45Å; L263-L266 PolarHBondContact O-N 2.84Å; L263-L267 WeakPolarHBondContact O-CG 3.49Å; L263-L267 PolarHBondContact O-N 3.35Å
264	R	97.1	Very high	95.2	Very high	140 Å²	140	67.2 Å²	67.2	53%	0.528	34%	0.336	S	S	.	.	H	α-helix	trans	-62.1	-45.9	173.3	-72.8	-178	-155.9	105.7	7.9	111.4	D260 F261 W262 L266 L267 E268	D260-R264 WeakPolarHBondContact O-CB 3.35Å; D260-R264 VanDerWaalsContact O-CG 3.3Å; D260-R264 WeakPolarHBondContact O-CG 3.37Å; D260-R264 PolarHBondContact O-N 3.19Å; D260-R264 IonicContact OD2-CZ 3.21Å; D260-R264 IonicContact OD2-NH1 2.68Å; D260-R264 PolarHBondContact OD2-NH1 3.36Å; D260-R264 IonicContact OD2-NH2 2.7Å; D260-R264 PolarHBondContact OD2-NH2 2.77Å; F261-R264 PolarHBondContact O-N 3.49Å; W262-R264 PolarHBondContact O-N 3Å; R264-L266 VanDerWaalsContact C-N 3.34Å; R264-L266 PolarHBondContact O-N 3.24Å; R264-L267 PolarHBondContact O-N 2.99Å; R264-E268 PolarHBondContact O-N 3.04Å
265	A	97.3	Very high	95.1	Very high	60 Å²	60	69.6 Å²	69.6	50%	0.496	34%	0.34	S	S	.	.	H	α-helix	trans	-63.9	-38	177.8	0	0	0	0	0	112.8	F261 W262 L267 K269	F261-A265 WeakPolarHBondContact O-CB 3.38Å; F261-A265 PolarHBondContact O-N 3.07Å; W262-A265 PolarHBondContact O-N 3Å; A265-L267 VanDerWaalsContact C-N 3.34Å; A265-K269 WeakPolarHBondContact O-CB 3.03Å; A265-K269 PolarHBondContact O-N 3.23Å; A265-K269 VanDerWaalsContact O-N 3.09Å
266	L	96	Very high	95	Very high	15 Å²	15	74.5 Å²	74.5	8%	0.079	36%	0.361	C	S	.	.	H	α-helix	trans	-61.8	-41.5	174.4	-170.3	73.3	0	0	0	111.3	L47 M120 I124 W262 L263 R264 V270	L47-L266 HydrophobicContact CD2-CD2 4.16Å; M120-L266 HydrophobicContact CB-CD1 4.42Å; M120-L266 HydrophobicContact CE-CD1 3.41Å; M120-L266 VanDerWaalsContact CE-CD1 3.41Å; M120-L266 HydrophobicContact CE-CD2 4.37Å; M120-L266 HydrophobicContact CE-CG 3.53Å; M120-L266 HydrophobicContact CG-CD1 4.33Å; I124-L266 HydrophobicContact CD1-CD2 4.26Å; I124-L266 HydrophobicContact CG1-CD1 4.42Å; I124-L266 HydrophobicContact CG1-CD2 4.02Å; W262-L266 HydrophobicContact CH2-CD2 3.92Å; W262-L266 HydrophobicContact CZ2-CD1 4.37Å; W262-L266 HydrophobicContact CZ2-CD2 4.06Å; W262-L266 HydrophobicContact CZ3-CD2 4.4Å; W262-L266 WeakPolarHBondContact O-CB 3.45Å; W262-L266 PolarHBondContact O-N 3.3Å; L263-L266 HydrophobicContact CD2-CD2 4.45Å; L263-L266 PolarHBondContact O-N 2.84Å; R264-L266 VanDerWaalsContact C-N 3.34Å; R264-L266 PolarHBondContact O-N 3.24Å; L266-V270 WeakPolarHBondContact O-CG2 3.45Å; L266-V270 PolarHBondContact O-N 2.81Å
267	L	96.2	Very high	95	Very high	103 Å²	103	73.3 Å²	73.3	54%	0.539	35%	0.354	S	S	.	.	H	α-helix	trans	-72.6	-43.5	176.5	-71.5	172	0	0	0	112.9	L263 R264 A265 K269 V270 I271	L263-L267 WeakPolarHBondContact O-CG 3.49Å; L263-L267 PolarHBondContact O-N 3.35Å; R264-L267 PolarHBondContact O-N 2.99Å; A265-L267 VanDerWaalsContact C-N 3.34Å; L267-K269 PolarHBondContact O-N 3.1Å; L267-V270 WeakPolarHBondContact O-CB 3.33Å; L267-V270 PolarHBondContact O-N 3Å; L267-I271 WeakPolarHBondContact O-CG1 3.26Å; L267-I271 PolarHBondContact O-N 3.11Å
268	E	97.3	Very high	95	Very high	87 Å²	87	70.6 Å²	70.6	41%	0.407	34%	0.343	S	S	.	.	H	α-helix	trans	-60.7	-37.6	178	-163.8	61.2	-142.4	0	0	110.7	R264 V270 I271 D272 K275	R264-E268 PolarHBondContact O-N 3.04Å; E268-V270 VanDerWaalsContact C-N 3.31Å; E268-V270 PolarHBondContact O-N 2.92Å; E268-I271 WeakPolarHBondContact O-CB 3.43Å; E268-I271 PolarHBondContact O-N 2.67Å; E268-I271 VanDerWaalsContact O-N 3.13Å; E268-D272 PolarHBondContact O-N 3.16Å; E268-K275 IonicContact OE1-NZ 3.87Å; E268-K275 PolarHBondContact OE1-NZ 3.26Å
269	K	95.8	Very high	95.1	Very high	80 Å²	80	74.1 Å²	74.1	35%	0.348	35%	0.353	S	S	.	.	H	α-helix	trans	-64.5	-31.8	175.3	-174.4	53.9	178.1	160.4	0	113.5	L115 A265 L267 E273	L115-K269 HydrophobicContact CD1-CD 4.41Å; L115-K269 HydrophobicContact CD1-CG 3.98Å; L115-K269 HydrophobicContact CD2-CG 4.38Å; A265-K269 WeakPolarHBondContact O-CB 3.03Å; A265-K269 PolarHBondContact O-N 3.23Å; A265-K269 VanDerWaalsContact O-N 3.09Å; L267-K269 PolarHBondContact O-N 3.1Å; K269-E273 IonicContact NZ-OE2 3.03Å; K269-E273 PolarHBondContact NZ-OE2 3.47Å; K269-E273 PolarHBondContact O-N 2.98Å
270	V	94.9	Very high	95	Very high	21 Å²	21	74.9 Å²	74.9	13%	0.127	36%	0.356	C	S	.	.	H	α-helix	trans	-69.8	-44.9	170.6	172.8	0	0	0	0	110.7	F51 Y116 M120 L266 L267 E268 R274	F51-V270 HydrophobicContact CE1-CG2 3.79Å; F51-V270 HydrophobicContact CZ-CG2 3.91Å; Y116-V270 HydrophobicContact CE1-CG1 4.34Å; Y116-V270 HydrophobicContact CE1-CG2 4.13Å; M120-V270 HydrophobicContact CE-CG2 3.33Å; M120-V270 HydrophobicContact SD-CG2 3.62Å; L266-V270 WeakPolarHBondContact O-CG2 3.45Å; L266-V270 PolarHBondContact O-N 2.81Å; L267-V270 WeakPolarHBondContact O-CB 3.33Å; L267-V270 PolarHBondContact O-N 3Å; E268-V270 VanDerWaalsContact C-N 3.31Å; E268-V270 PolarHBondContact O-N 2.92Å; V270-R274 WeakPolarHBondContact O-CB 3.27Å; V270-R274 WeakPolarHBondContact O-CG 3.47Å; V270-R274 PolarHBondContact O-N 3.2Å; V270-R274 VanDerWaalsContact O-N 3.12Å
271	I	96.1	Very high	94.9	Very high	78 Å²	78	75.3 Å²	75.3	40%	0.4	36%	0.356	S	S	.	.	H	α-helix	trans	-60.8	-50.3	-178.7	-72.6	166.6	0	0	0	109.9	L267 E268 E273 R274 K275	L267-I271 WeakPolarHBondContact O-CG1 3.26Å; L267-I271 PolarHBondContact O-N 3.11Å; E268-I271 WeakPolarHBondContact O-CB 3.43Å; E268-I271 PolarHBondContact O-N 2.67Å; E268-I271 VanDerWaalsContact O-N 3.13Å; I271-E273 PolarHBondContact O-N 3.07Å; I271-R274 PolarHBondContact O-N 3.28Å; I271-K275 HydrophobicContact CG2-CD 4.22Å; I271-K275 HydrophobicContact CG2-CG 4.33Å; I271-K275 WeakPolarHBondContact O-CG 3.18Å; I271-K275 PolarHBondContact O-N 2.7Å
272	D	95.4	Very high	94.8	Very high	62 Å²	62	73.5 Å²	73.5	33%	0.332	35%	0.351	S	S	.	.	H	α-helix	trans	-61.7	-43.7	-179.5	-82.4	-13.4	0	0	0	114	E268 R274 K275 K276	E268-D272 PolarHBondContact O-N 3.16Å; D272-R274 VanDerWaalsContact C-N 3.28Å; D272-R274 PolarHBondContact O-N 3.4Å; D272-K275 PolarHBondContact O-N 3.04Å; D272-K275 IonicContact OD1-NZ 3.26Å; D272-K275 PolarHBondContact OD1-NZ 3Å; D272-K276 WeakPolarHBondContact O-CG 3.39Å; D272-K276 PolarHBondContact O-N 3.44Å; D272-K276 VanDerWaalsContact O-N 3.14Å
273	E	93.5	Very high	94.5	Very high	28 Å²	28	75.3 Å²	75.3	13%	0.131	36%	0.364	C	S	.	.	H	α-helix	trans	-70.8	-29	179.3	-139.6	66	-133.8	0	0	111.7	L112 L115 K269 I271 K276 I277	L112-E273 HydrophobicContact CD1-CB 3.89Å; L112-E273 HydrophobicContact CD1-CG 3.99Å; L115-E273 HydrophobicContact CD2-CB 3.57Å; L115-E273 HydrophobicContact CD2-CG 3.71Å; K269-E273 IonicContact NZ-OE2 3.03Å; K269-E273 PolarHBondContact NZ-OE2 3.47Å; K269-E273 PolarHBondContact O-N 2.98Å; I271-E273 PolarHBondContact O-N 3.07Å; E273-K276 WeakPolarHBondContact OE1-CD 3.39Å; E273-K276 IonicContact OE1-NZ 2.7Å; E273-K276 PolarHBondContact OE1-NZ 2.89Å; E273-K276 IonicContact OE2-NZ 3.4Å; E273-K276 PolarHBondContact OE2-NZ 3.45Å; E273-I277 WeakPolarHBondContact O-CG1 3.13Å; E273-I277 PolarHBondContact O-N 3.27Å
274	R	93.4	Very high	94.4	Very high	150 Å²	150	73.6 Å²	73.6	57%	0.566	36%	0.357	S	S	*	.	H	α-helix	trans	-72.3	-41.9	169.9	-70.8	-170.5	69.6	-143.7	-4.8	112.8	V270 I271 D272 K276 I277 T278	V270-R274 WeakPolarHBondContact O-CB 3.27Å; V270-R274 WeakPolarHBondContact O-CG 3.47Å; V270-R274 PolarHBondContact O-N 3.2Å; V270-R274 VanDerWaalsContact O-N 3.12Å; I271-R274 PolarHBondContact O-N 3.28Å; D272-R274 VanDerWaalsContact C-N 3.28Å; D272-R274 PolarHBondContact O-N 3.4Å; R274-K276 VanDerWaalsContact C-N 3.29Å; R274-K276 PolarHBondContact O-N 3Å; R274-I277 PolarHBondContact O-N 3.43Å; R274-I277 VanDerWaalsContact O-N 3.09Å; R274-T278 PolarHBondContact O-N 3.26Å; R274-T278 PolarHBondContact O-OG1 2.97Å
275	K	94.9	Very high	94.2	Very high	107 Å²	107	72.5 Å²	72.5	47%	0.465	36%	0.361	S	S	.	.	H	α-helix	trans	-50.7	-49.5	173.4	-73.2	172.6	-168	143.8	0	110.4	E268 I271 D272 I277 T278 Q279	E268-K275 IonicContact OE1-NZ 3.87Å; E268-K275 PolarHBondContact OE1-NZ 3.26Å; I271-K275 HydrophobicContact CG2-CD 4.22Å; I271-K275 HydrophobicContact CG2-CG 4.33Å; I271-K275 WeakPolarHBondContact O-CG 3.18Å; I271-K275 PolarHBondContact O-N 2.7Å; D272-K275 PolarHBondContact O-N 3.04Å; D272-K275 IonicContact OD1-NZ 3.26Å; D272-K275 PolarHBondContact OD1-NZ 3Å; K275-I277 VanDerWaalsContact C-N 3.32Å; K275-I277 PolarHBondContact O-N 2.96Å; K275-T278 PolarHBondContact O-N 3.47Å; K275-Q279 WeakPolarHBondContact O-CB 3.46Å; K275-Q279 PolarHBondContact O-N 2.92Å
276	K	92.4	Very high	93.9	Very high	104 Å²	104	72.3 Å²	72.3	45%	0.452	36%	0.36	S	S	.	.	H	α-helix	trans	-61.2	-35.6	179.3	-66.2	165.9	-167.6	171.9	0	113.9	D272 E273 R274 H280	D272-K276 WeakPolarHBondContact O-CG 3.39Å; D272-K276 PolarHBondContact O-N 3.44Å; D272-K276 VanDerWaalsContact O-N 3.14Å; E273-K276 WeakPolarHBondContact OE1-CD 3.39Å; E273-K276 IonicContact OE1-NZ 2.7Å; E273-K276 PolarHBondContact OE1-NZ 2.89Å; E273-K276 IonicContact OE2-NZ 3.4Å; E273-K276 PolarHBondContact OE2-NZ 3.45Å; R274-K276 VanDerWaalsContact C-N 3.29Å; R274-K276 PolarHBondContact O-N 3Å; K276-H280 WeakPolarHBondContact O-CB 3.4Å; K276-H280 PolarHBondContact O-N 3.28Å
277	I	92.4	Very high	93.7	Very high	13 Å²	13	74.2 Å²	74.2	7%	0.067	38%	0.375	C	S	.	.	H	α-helix	trans	-73.7	-44.8	179.5	-70.9	169.7	0	0	0	110.1	K108 L112 E273 R274 K275 Q279 H280 E281	K108-I277 HydrophobicContact CB-CG1 4.21Å; L112-I277 HydrophobicContact CB-CD1 3.97Å; L112-I277 HydrophobicContact CD1-CD1 3.99Å; L112-I277 HydrophobicContact CD2-CD1 3.7Å; L112-I277 HydrophobicContact CG-CD1 4.11Å; E273-I277 WeakPolarHBondContact O-CG1 3.13Å; E273-I277 PolarHBondContact O-N 3.27Å; R274-I277 PolarHBondContact O-N 3.43Å; R274-I277 VanDerWaalsContact O-N 3.09Å; K275-I277 VanDerWaalsContact C-N 3.32Å; K275-I277 PolarHBondContact O-N 2.96Å; I277-Q279 VanDerWaalsContact C-N 3.34Å; I277-Q279 PolarHBondContact O-N 3.33Å; I277-H280 PolarHBondContact O-N 3.21Å; I277-E281 WeakPolarHBondContact CG2-OE1 3.24Å; I277-E281 WeakPolarHBondContact O-CG 3.26Å; I277-E281 PolarHBondContact O-N 3.4Å
278	T	93.6	Very high	93.5	Very high	66 Å²	66	71.9 Å²	71.9	41%	0.405	36%	0.362	S	S	.	.	H	α-helix	trans	-62.4	-39.8	174.5	-59.5	0	0	0	0	111.8	R274 K275 E281 M282	R274-T278 PolarHBondContact O-N 3.26Å; R274-T278 PolarHBondContact O-OG1 2.97Å; K275-T278 PolarHBondContact O-N 3.47Å; T278-E281 PolarHBondContact O-N 3.28Å; T278-M282 HydrophobicContact CG2-SD 4.48Å; T278-M282 WeakPolarHBondContact O-CG 3.49Å; T278-M282 PolarHBondContact O-N 2.96Å
279	Q	93.4	Very high	93.3	Very high	99 Å²	99	70.9 Å²	70.9	46%	0.463	37%	0.365	S	S	.	.	H	α-helix	trans	-60.3	-48.3	172.6	-173.5	61.9	53.7	0	0	111.3	K275 I277 E281 M282 D283	K275-Q279 WeakPolarHBondContact O-CB 3.46Å; K275-Q279 PolarHBondContact O-N 2.92Å; I277-Q279 VanDerWaalsContact C-N 3.34Å; I277-Q279 PolarHBondContact O-N 3.33Å; Q279-E281 VanDerWaalsContact C-N 3.29Å; Q279-E281 PolarHBondContact O-N 3.41Å; Q279-M282 CarbonylContact O-C 3.58Å; Q279-M282 WeakPolarHBondContact O-CA 3.31Å; Q279-M282 WeakPolarHBondContact O-CB 3.43Å; Q279-M282 PolarHBondContact O-N 2.67Å; Q279-D283 PolarHBondContact NE2-OD1 2.7Å; Q279-D283 PolarHBondContact O-N 2.7Å
280	H	91.9	Very high	93	Very high	38 Å²	38	72 Å²	72	18%	0.176	38%	0.378	C	S	.	.	H	α-helix	trans	-61.6	-34.5	176.8	178	-87.5	0	0	0	113.1	K276 I277 S284	K276-H280 WeakPolarHBondContact O-CB 3.4Å; K276-H280 PolarHBondContact O-N 3.28Å; I277-H280 PolarHBondContact O-N 3.21Å; H280-S284 WeakPolarHBondContact O-CB 3.46Å; H280-S284 PolarHBondContact O-N 2.87Å
281	E	92	Very high	92.8	Very high	72 Å²	72	71.7 Å²	71.7	34%	0.336	38%	0.376	S	S	.	.	H	α-helix	trans	-64.2	-42	171.8	-72	164.6	179.4	0	0	111	R109 I277 T278 Q279 S284 L285	R109-E281 IonicContact CZ-OE1 2.7Å; R109-E281 IonicContact NH1-OE1 2.79Å; R109-E281 PolarHBondContact NH1-OE1 3.11Å; R109-E281 IonicContact NH2-OE1 3.17Å; R109-E281 PolarHBondContact NH2-OE1 2.91Å; I277-E281 WeakPolarHBondContact CG2-OE1 3.24Å; I277-E281 WeakPolarHBondContact O-CG 3.26Å; I277-E281 PolarHBondContact O-N 3.4Å; T278-E281 PolarHBondContact O-N 3.28Å; Q279-E281 VanDerWaalsContact C-N 3.29Å; Q279-E281 PolarHBondContact O-N 3.41Å; E281-S284 PolarHBondContact O-N 3.4Å; E281-L285 VanDerWaalsContact O-CG 3.29Å; E281-L285 WeakPolarHBondContact O-CG 3.37Å; E281-L285 PolarHBondContact O-N 3.27Å
282	M	93.9	Very high	92.4	Very high	111 Å²	111	77.4 Å²	77.4	55%	0.547	39%	0.393	S	S	.	.	H	α-helix	trans	-66.1	-44.8	174.3	-67.9	175	66.2	0	0	112.7	T278 Q279 S284 L285 A286	T278-M282 HydrophobicContact CG2-SD 4.48Å; T278-M282 WeakPolarHBondContact O-CG 3.49Å; T278-M282 PolarHBondContact O-N 2.96Å; Q279-M282 CarbonylContact O-C 3.58Å; Q279-M282 WeakPolarHBondContact O-CA 3.31Å; Q279-M282 WeakPolarHBondContact O-CB 3.43Å; Q279-M282 PolarHBondContact O-N 2.67Å; M282-S284 VanDerWaalsContact C-N 3.29Å; M282-S284 PolarHBondContact O-N 2.89Å; M282-L285 PolarHBondContact O-N 2.84Å; M282-A286 PolarHBondContact O-N 3.42Å
283	D	91.9	Very high	92	Very high	85 Å²	85	79.4 Å²	79.4	46%	0.455	41%	0.411	S	S	.	.	H	α-helix	trans	-60.8	-40	176.6	-56.5	-25.5	0	0	0	111	Q279 A286 S287	Q279-D283 PolarHBondContact NE2-OD1 2.7Å; Q279-D283 PolarHBondContact O-N 2.7Å; D283-A286 PolarHBondContact O-N 2.63Å; D283-S287 WeakPolarHBondContact O-CB 3.49Å; D283-S287 PolarHBondContact O-N 3.02Å
284	S	92.2	Very high	91.6	Very high	27 Å²	27	81.3 Å²	81.3	19%	0.189	43%	0.428	C	S	.	.	H	α-helix	trans	-64.6	-43	175.5	-172.7	0	0	0	0	112	Q101 H280 E281 M282 S287 L288	Q101-S284 PolarHBondContact NE2-O 3.49Å; Q101-S284 VanDerWaalsContact NE2-O 3.11Å; Q101-S284 PolarHBondContact NE2-OG 3.29Å; Q101-S284 PolarHBondContact OE1-OG 2.91Å; H280-S284 WeakPolarHBondContact O-CB 3.46Å; H280-S284 PolarHBondContact O-N 2.87Å; E281-S284 PolarHBondContact O-N 3.4Å; M282-S284 VanDerWaalsContact C-N 3.29Å; M282-S284 PolarHBondContact O-N 2.89Å; S284-S287 WeakPolarHBondContact O-CB 3.11Å; S284-S287 PolarHBondContact O-N 3.23Å; S284-L288 WeakPolarHBondContact O-CG 3.4Å; S284-L288 PolarHBondContact O-N 3.29Å
285	L	92.9	Very high	91.3	Very high	116 Å²	116	77.9 Å²	77.9	61%	0.607	42%	0.423	S	S	*	.	H	α-helix	trans	-65.6	-40.6	175	-72.7	168.4	0	0	0	112.3	E281 M282 L288 S289	E281-L285 VanDerWaalsContact O-CG 3.29Å; E281-L285 WeakPolarHBondContact O-CG 3.37Å; E281-L285 PolarHBondContact O-N 3.27Å; M282-L285 PolarHBondContact O-N 2.84Å; L285-L288 PolarHBondContact O-N 3.27Å; L285-S289 PolarHBondContact O-N 3.48Å
286	A	92.5	Very high	90.8	Very high	57 Å²	57	75.9 Å²	75.9	47%	0.471	42%	0.418	S	S	.	.	H	α-helix	trans	-61.2	-45.1	172.9	0	0	0	0	0	111.1	M282 D283 L288 S289 T290	M282-A286 PolarHBondContact O-N 3.42Å; D283-A286 PolarHBondContact O-N 2.63Å; A286-L288 VanDerWaalsContact C-N 3.34Å; A286-L288 PolarHBondContact O-N 3.14Å; A286-S289 WeakPolarHBondContact O-CB 3.23Å; A286-S289 PolarHBondContact O-N 2.89Å; A286-S289 VanDerWaalsContact O-N 3.1Å; A286-T290 PolarHBondContact O-N 2.98Å; A286-T290 PolarHBondContact O-OG1 3.33Å
287	S	91.7	Very high	90.4	Very high	55 Å²	55	76 Å²	76	39%	0.385	43%	0.427	S	S	.	.	H	α-helix	trans	-59.1	-40.1	174	-179.1	0	0	0	0	112.7	D283 S284 L291	D283-S287 WeakPolarHBondContact O-CB 3.49Å; D283-S287 PolarHBondContact O-N 3.02Å; S284-S287 WeakPolarHBondContact O-CB 3.11Å; S284-S287 PolarHBondContact O-N 3.23Å; S287-L291 VanDerWaalsContact O-CB 3.25Å; S287-L291 WeakPolarHBondContact O-CB 3.4Å; S287-L291 PolarHBondContact O-N 3.1Å
288	L	92.2	Very high	89.9	Confident	54 Å²	54	79.1 Å²	79.1	28%	0.283	44%	0.44	S	S	.	.	H	α-helix	trans	-68.1	-33.1	173.7	-72.2	178.6	0	0	0	113.1	L98 S284 L285 A286 L291 R292	L98-L288 HydrophobicContact CD2-CD2 3.87Å; S284-L288 WeakPolarHBondContact O-CG 3.4Å; S284-L288 PolarHBondContact O-N 3.29Å; L285-L288 PolarHBondContact O-N 3.27Å; A286-L288 VanDerWaalsContact C-N 3.34Å; A286-L288 PolarHBondContact O-N 3.14Å; L288-L291 HydrophobicContact CD2-CD2 3.85Å; L288-R292 WeakPolarHBondContact O-CB 3.4Å; L288-R292 PolarHBondContact O-N 2.95Å
289	S	91.5	Very high	89.5	Confident	66 Å²	66	77.7 Å²	77.7	46%	0.462	44%	0.435	S	S	.	.	H	α-helix	trans	-66.5	-47.8	174.7	-164.2	0	0	0	0	111.3	L285 A286 L291 R292 S293	L285-S289 PolarHBondContact O-N 3.48Å; A286-S289 WeakPolarHBondContact O-CB 3.23Å; A286-S289 PolarHBondContact O-N 2.89Å; A286-S289 VanDerWaalsContact O-N 3.1Å; S289-L291 VanDerWaalsContact C-N 3.34Å; S289-L291 PolarHBondContact O-N 3.37Å; S289-R292 WeakPolarHBondContact O-CB 3.42Å; S289-R292 PolarHBondContact O-N 3.32Å; S289-S293 PolarHBondContact O-N 3.44Å; S289-S293 VanDerWaalsContact O-N 3.08Å; S289-S293 PolarHBondContact O-OG 3.02Å
290	T	90.1	Very high	89.1	Confident	102 Å²	102	74.1 Å²	74.1	63%	0.626	42%	0.419	S	S	*	.	H	α-helix	trans	-61.3	-42.1	173.8	-56.1	0	0	0	0	111.6	A286 R292 S293 S294	A286-T290 PolarHBondContact O-N 2.98Å; A286-T290 PolarHBondContact O-OG1 3.33Å; T290-R292 PolarHBondContact O-N 3.39Å; T290-S293 PolarHBondContact O-N 2.9Å; T290-S294 PolarHBondContact O-N 2.86Å
291	L	90.4	Very high	88.9	Confident	16 Å²	16	77.6 Å²	77.6	8%	0.084	43%	0.434	C	S	.	.	H	α-helix	trans	-58.3	-46.1	174.6	175.5	67.6	0	0	0	111.6	T93 V94 T97 S287 L288 S289 S293 S294 V295	T93-L291 HydrophobicContact CG2-CD1 4.17Å; V94-L291 HydrophobicContact CB-CD2 4.39Å; V94-L291 HydrophobicContact CG1-CD2 4.38Å; V94-L291 HydrophobicContact CG2-CD1 3.88Å; V94-L291 HydrophobicContact CG2-CD2 4.14Å; V94-L291 HydrophobicContact CG2-CG 4.03Å; T97-L291 HydrophobicContact CG2-CD2 4.02Å; S287-L291 VanDerWaalsContact O-CB 3.25Å; S287-L291 WeakPolarHBondContact O-CB 3.4Å; S287-L291 PolarHBondContact O-N 3.1Å; L288-L291 HydrophobicContact CD2-CD2 3.85Å; S289-L291 VanDerWaalsContact C-N 3.34Å; S289-L291 PolarHBondContact O-N 3.37Å; L291-S293 VanDerWaalsContact C-N 3.32Å; L291-S293 PolarHBondContact O-N 3.36Å; L291-S294 WeakPolarHBondContact CA-OG 3.43Å; L291-S294 PolarHBondContact O-N 3.01Å; L291-S294 VanDerWaalsContact O-N 3.1Å; L291-S294 PolarHBondContact O-OG 3.35Å; L291-V295 WeakPolarHBondContact O-CG2 3.38Å
292	R	88	Confident	88.6	Confident	198 Å²	198	79 Å²	79	75%	0.747	44%	0.44	S	S	*	.	H	α-helix	trans	-57.3	-44.2	175.9	174.9	-169.7	174.7	-146.8	0.7	111.4	L288 S289 T290 S294 V295	L288-R292 WeakPolarHBondContact O-CB 3.4Å; L288-R292 PolarHBondContact O-N 2.95Å; S289-R292 WeakPolarHBondContact O-CB 3.42Å; S289-R292 PolarHBondContact O-N 3.32Å; T290-R292 PolarHBondContact O-N 3.39Å; R292-S294 VanDerWaalsContact C-N 3.29Å; R292-S294 PolarHBondContact O-N 3.04Å; R292-V295 WeakPolarHBondContact O-CB 3.29Å; R292-V295 WeakPolarHBondContact O-CG2 3.32Å; R292-V295 PolarHBondContact O-N 3.08Å
293	S	87.6	Confident	88.1	Confident	103 Å²	103	77.1 Å²	77.1	72%	0.72	43%	0.429	S	S	*	.	H	α-helix	trans	-69.2	-25.5	177.3	-60.3	0	0	0	0	113.3	S289 T290 L291 V295	S289-S293 PolarHBondContact O-N 3.44Å; S289-S293 VanDerWaalsContact O-N 3.08Å; S289-S293 PolarHBondContact O-OG 3.02Å; T290-S293 PolarHBondContact O-N 2.9Å; L291-S293 VanDerWaalsContact C-N 3.32Å; L291-S293 PolarHBondContact O-N 3.36Å; S293-V295 VanDerWaalsContact C-N 3.27Å; S293-V295 PolarHBondContact O-N 2.9Å
294	S	84.3	Confident	87.9	Confident	68 Å²	68	77.8 Å²	77.8	48%	0.476	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	3.1	176.7	76.8	0	0	0	0	115	T290 L291 R292 D296	T290-S294 PolarHBondContact O-N 2.86Å; L291-S294 WeakPolarHBondContact CA-OG 3.43Å; L291-S294 PolarHBondContact O-N 3.01Å; L291-S294 VanDerWaalsContact O-N 3.1Å; L291-S294 PolarHBondContact O-OG 3.35Å; R292-S294 VanDerWaalsContact C-N 3.29Å; R292-S294 PolarHBondContact O-N 3.04Å; S294-D296 PolarHBondContact O-N 3.38Å; S294-D296 VanDerWaalsContact O-N 3.1Å
295	V	87.8	Confident	87.6	Confident	78 Å²	78	80.4 Å²	80.4	47%	0.473	44%	0.436	S	S	.	.			trans	-75.6	97.6	-177.2	172.7	0	0	0	0	110.5	T90 L291 R292 S293	T90-V295 HydrophobicContact CG2-CB 3.95Å; T90-V295 HydrophobicContact CG2-CG1 3.92Å; T90-V295 HydrophobicContact CG2-CG2 3.79Å; L291-V295 WeakPolarHBondContact O-CG2 3.38Å; R292-V295 WeakPolarHBondContact O-CB 3.29Å; R292-V295 WeakPolarHBondContact O-CG2 3.32Å; R292-V295 PolarHBondContact O-N 3.08Å; S293-V295 VanDerWaalsContact C-N 3.27Å; S293-V295 PolarHBondContact O-N 2.9Å
296	D	83.6	Confident	87.3	Confident	65 Å²	65	80.3 Å²	80.3	35%	0.348	43%	0.433	S	S	.	.			trans	-125.8	107.2	176.2	-173.6	21.6	0	0	0	114.5	S294 K298 A299 D300	S294-D296 PolarHBondContact O-N 3.38Å; S294-D296 VanDerWaalsContact O-N 3.1Å; D296-K298 VanDerWaalsContact C-N 3.33Å; D296-K298 WeakPolarHBondContact OD1-CA 3.39Å; D296-K298 VanDerWaalsContact OD1-CB 3.24Å; D296-K298 WeakPolarHBondContact OD1-CB 3.2Å; D296-K298 PolarHBondContact OD1-N 3.12Å; D296-A299 HydrophobicContact CB-CB 4.07Å; D296-A299 WeakPolarHBondContact OD2-CB 3.33Å; D296-A299 PolarHBondContact OD2-N 2.84Å; D296-D300 PolarHBondContact O-N 2.86Å; D296-D300 VanDerWaalsContact O-N 3.14Å
297	V	83.9	Confident	86.9	Confident	107 Å²	107	80.3 Å²	80.3	65%	0.648	43%	0.432	S	S	*	.	H	α-helix	trans	-72.9	-24	174.5	-173.6	0	0	0	0	111.9	K301	V297-K301 WeakPolarHBondContact O-CB 3.2Å; V297-K301 PolarHBondContact O-N 2.61Å
298	K	83.3	Confident	86.7	Confident	79 Å²	79	80.1 Å²	80.1	34%	0.343	43%	0.427	S	S	.	.	H	α-helix	trans	-69.9	-47.5	175.2	-59.9	172.8	179.1	172.4	0	110	D296 K301 Q302	D296-K298 VanDerWaalsContact C-N 3.33Å; D296-K298 WeakPolarHBondContact OD1-CA 3.39Å; D296-K298 VanDerWaalsContact OD1-CB 3.24Å; D296-K298 WeakPolarHBondContact OD1-CB 3.2Å; D296-K298 PolarHBondContact OD1-N 3.12Å; K298-K301 WeakPolarHBondContact O-CB 3.38Å; K298-K301 PolarHBondContact O-N 2.68Å; K298-Q302 PolarHBondContact O-N 3.46Å; K298-Q302 VanDerWaalsContact O-N 3.07Å
299	A	83.8	Confident	86.5	Confident	36 Å²	36	83 Å²	83	30%	0.298	44%	0.439	S	S	.	.	H	α-helix	trans	-60.8	-41.2	171.6	0	0	0	0	0	112.6	D296 K301 Q302 K303	D296-A299 HydrophobicContact CB-CB 4.07Å; D296-A299 WeakPolarHBondContact OD2-CB 3.33Å; D296-A299 PolarHBondContact OD2-N 2.84Å; A299-K301 VanDerWaalsContact C-N 3.34Å; A299-K301 PolarHBondContact O-N 3.34Å; A299-Q302 WeakPolarHBondContact O-CB 3.3Å; A299-Q302 PolarHBondContact O-N 2.91Å; A299-Q302 VanDerWaalsContact O-N 3.16Å; A299-K303 WeakPolarHBondContact O-CG 3.28Å; A299-K303 PolarHBondContact O-N 3.19Å
300	D	86.7	Confident	86.3	Confident	23 Å²	23	88.1 Å²	88.1	12%	0.123	46%	0.455	C	S	.	.	H	α-helix	trans	-63.2	-39.2	176.3	-74.4	-18.6	0	0	0	113	H89 T90 D296 Q302 K303 F304	H89-D300 WeakPolarHBondContact CA-OD1 3.4Å; H89-D300 HydrophobicContact CB-CB 4.31Å; T90-D300 WeakPolarHBondContact CA-OD2 3.39Å; T90-D300 WeakPolarHBondContact CB-OD2 3.36Å; T90-D300 VanDerWaalsContact N-CG 3.32Å; T90-D300 PolarHBondContact N-OD1 3.3Å; T90-D300 PolarHBondContact N-OD2 3.48Å; T90-D300 VanDerWaalsContact OG1-CG 3.3Å; T90-D300 PolarHBondContact OG1-OD1 3.15Å; T90-D300 PolarHBondContact OG1-OD2 3.07Å; D296-D300 PolarHBondContact O-N 2.86Å; D296-D300 VanDerWaalsContact O-N 3.14Å; D300-Q302 VanDerWaalsContact C-N 3.31Å; D300-Q302 PolarHBondContact O-N 3Å; D300-K303 PolarHBondContact O-N 3.37Å; D300-K303 IonicContact OD1-NZ 2.85Å; D300-K303 PolarHBondContact OD1-NZ 3.14Å; D300-F304 WeakPolarHBondContact O-CB 3.43Å; D300-F304 PolarHBondContact O-N 2.95Å
301	K	85.9	Confident	86.2	Confident	112 Å²	112	89.7 Å²	89.7	49%	0.487	46%	0.459	S	S	.	.	H	α-helix	trans	-61.3	-40.3	172.3	-172	-170.3	70	172.4	0	111.7	V297 K298 A299 F304 F305	V297-K301 WeakPolarHBondContact O-CB 3.2Å; V297-K301 PolarHBondContact O-N 2.61Å; K298-K301 WeakPolarHBondContact O-CB 3.38Å; K298-K301 PolarHBondContact O-N 2.68Å; A299-K301 VanDerWaalsContact C-N 3.34Å; A299-K301 PolarHBondContact O-N 3.34Å; K301-F304 PolarHBondContact O-N 2.89Å; K301-F305 HydrophobicContact CD-CE2 4.03Å; K301-F305 HydrophobicContact CG-CD2 4.05Å; K301-F305 HydrophobicContact CG-CE2 3.71Å; K301-F305 VanDerWaalsContact O-CD2 3.25Å; K301-F305 WeakPolarHBondContact O-CD2 3.48Å; K301-F305 PolarHBondContact O-N 3.38Å; K301-F305 VanDerWaalsContact O-N 3.13Å
302	Q	85.6	Confident	86.2	Confident	100 Å²	100	93.9 Å²	93.9	47%	0.467	48%	0.477	S	S	.	.	H	α-helix	trans	-63.8	-51.9	177.1	-178.2	60.2	24.8	0	0	111.4	K298 A299 D300 F304 F305 E306	K298-Q302 PolarHBondContact O-N 3.46Å; K298-Q302 VanDerWaalsContact O-N 3.07Å; A299-Q302 WeakPolarHBondContact O-CB 3.3Å; A299-Q302 PolarHBondContact O-N 2.91Å; A299-Q302 VanDerWaalsContact O-N 3.16Å; D300-Q302 VanDerWaalsContact C-N 3.31Å; D300-Q302 PolarHBondContact O-N 3Å; Q302-F304 PolarHBondContact O-N 3.31Å; Q302-F305 PolarHBondContact O-N 2.77Å; Q302-F305 VanDerWaalsContact O-N 3.09Å; Q302-E306 WeakPolarHBondContact CG-OE1 3.45Å; Q302-E306 PolarHBondContact NE2-OE1 3.08Å; Q302-E306 WeakPolarHBondContact O-CG 3.47Å; Q302-E306 PolarHBondContact O-N 3.43Å
303	K	85.3	Confident	86.2	Confident	73 Å²	73	89.4 Å²	89.4	32%	0.317	47%	0.466	S	S	.	.	H	α-helix	trans	-54.5	-37.7	174.6	-63.2	167	-158.2	162.6	0	112.3	P87 Q88 A299 D300 A307	P87-K303 HydrophobicContact CB-CB 4.18Å; P87-K303 HydrophobicContact CG-CB 4.37Å; Q88-K303 PolarHBondContact O-NZ 2.87Å; A299-K303 WeakPolarHBondContact O-CG 3.28Å; A299-K303 PolarHBondContact O-N 3.19Å; D300-K303 PolarHBondContact O-N 3.37Å; D300-K303 IonicContact OD1-NZ 2.85Å; D300-K303 PolarHBondContact OD1-NZ 3.14Å; K303-A307 VanDerWaalsContact O-CB 3.28Å; K303-A307 WeakPolarHBondContact O-CB 3.34Å; K303-A307 PolarHBondContact O-N 3.29Å
304	F	85.8	Confident	86.2	Confident	98 Å²	98	91.3 Å²	91.3	43%	0.43	47%	0.467	S	S	.	.	H	α-helix	trans	-65.9	-44.1	178	176	-95.2	0	0	0	112.2	D300 K301 Q302 N308 F312	D300-F304 WeakPolarHBondContact O-CB 3.43Å; D300-F304 PolarHBondContact O-N 2.95Å; K301-F304 PolarHBondContact O-N 2.89Å; Q302-F304 PolarHBondContact O-N 3.31Å; F304-N308 WeakPolarHBondContact O-CB 3.44Å; F304-N308 PolarHBondContact O-N 3.5Å; F304-N308 PolarHBondContact O-ND2 3.17Å; F304-F312 HydrophobicContact CD1-CE2 4.36Å; F304-F312 AromaticContact CE1-CE2 3.56Å; F304-F312 HydrophobicContact CE1-CE2 3.56Å; F304-F312 AromaticContact CE1-CZ 3.7Å; F304-F312 HydrophobicContact CE1-CZ 3.7Å; F304-F312 HydrophobicContact CZ-CE2 4.03Å; F304-F312 HydrophobicContact CZ-CZ 4.15Å
305	F	86.7	Confident	86.4	Confident	83 Å²	83	93 Å²	93	36%	0.364	48%	0.477	S	S	.	.	H	α-helix	trans	-66.2	-38.9	174.8	-77.1	-58.2	0	0	0	112.4	K301 Q302 N308 H309 F312	K301-F305 HydrophobicContact CD-CE2 4.03Å; K301-F305 HydrophobicContact CG-CD2 4.05Å; K301-F305 HydrophobicContact CG-CE2 3.71Å; K301-F305 VanDerWaalsContact O-CD2 3.25Å; K301-F305 WeakPolarHBondContact O-CD2 3.48Å; K301-F305 PolarHBondContact O-N 3.38Å; K301-F305 VanDerWaalsContact O-N 3.13Å; Q302-F305 PolarHBondContact O-N 2.77Å; Q302-F305 VanDerWaalsContact O-N 3.09Å; F305-N308 CarbonylContact O-C 3.52Å; F305-N308 PolarHBondContact O-N 3.46Å; F305-H309 VanDerWaalsContact O-CA 3.24Å; F305-H309 WeakPolarHBondContact O-CA 3.17Å; F305-H309 PolarHBondContact O-N 3.03Å; F305-F312 HydrophobicContact CD1-CB 3.77Å; F305-F312 HydrophobicContact CD1-CD1 4.11Å; F305-F312 AromaticContact CD1-CD2 3.7Å; F305-F312 HydrophobicContact CD1-CD2 3.7Å; F305-F312 HydrophobicContact CD1-CE2 4.29Å; F305-F312 AromaticContact CD1-CG 3.59Å; F305-F312 HydrophobicContact CD1-CG 3.59Å; F305-F312 HydrophobicContact CE1-CB 4.19Å; F305-F312 AromaticContact CE1-CD1 3.81Å; F305-F312 HydrophobicContact CE1-CD1 3.81Å; F305-F312 HydrophobicContact CE1-CD2 4.17Å; F305-F312 HydrophobicContact CE1-CE1 4.19Å; F305-F312 AromaticContact CE1-CG 3.8Å; F305-F312 HydrophobicContact CE1-CG 3.8Å
306	E	85.9	Confident	86.4	Confident	114 Å²	114	98.6 Å²	98.6	53%	0.533	50%	0.495	S	S	.	.	H	α-helix	trans	-63.6	-49	176.5	-71.1	165.2	175	0	0	111.9	Q302 N308 H309	Q302-E306 WeakPolarHBondContact CG-OE1 3.45Å; Q302-E306 PolarHBondContact NE2-OE1 3.08Å; Q302-E306 WeakPolarHBondContact O-CG 3.47Å; Q302-E306 PolarHBondContact O-N 3.43Å; E306-N308 PolarHBondContact O-N 3.45Å; E306-H309 WeakPolarHBondContact O-CB 3.49Å; E306-H309 PolarHBondContact O-N 3.36Å
307	A	85.3	Confident	86.7	Confident	56 Å²	56	103.3 Å²	103.3	46%	0.463	51%	0.514	S	S	.	.	H	α-helix	trans	-62.5	-23.1	178.1	0	0	0	0	0	113.6	P87 K303	P87-A307 HydrophobicContact CB-CB 4.42Å; P87-A307 HydrophobicContact CG-CB 4Å; K303-A307 VanDerWaalsContact O-CB 3.28Å; K303-A307 WeakPolarHBondContact O-CB 3.34Å; K303-A307 PolarHBondContact O-N 3.29Å
308	N	86.8	Confident	87	Confident	51 Å²	51	108.4 Å²	108.4	27%	0.273	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	23	-178	-63.9	-87.2	0	0	0	112.6	F304 F305 E306 Q310 L311 F312	F304-N308 WeakPolarHBondContact O-CB 3.44Å; F304-N308 PolarHBondContact O-N 3.5Å; F304-N308 PolarHBondContact O-ND2 3.17Å; F305-N308 CarbonylContact O-C 3.52Å; F305-N308 PolarHBondContact O-N 3.46Å; E306-N308 PolarHBondContact O-N 3.45Å; N308-Q310 PolarHBondContact O-N 3.26Å; N308-L311 WeakPolarHBondContact O-CB 3.35Å; N308-L311 PolarHBondContact O-N 2.84Å; N308-F312 HydrophobicContact CB-CD2 3.65Å; N308-F312 HydrophobicContact CB-CE2 3.57Å; N308-F312 WeakPolarHBondContact O-CD2 3.44Å
309	H	87.8	Confident	87.2	Confident	115 Å²	115	112.3 Å²	112.3	53%	0.532	55%	0.548	S	S	.	.	H	α-helix	trans	-50.9	-39.3	-167.5	178.1	72.6	0	0	0	114.3	F305 E306 L311 F312 M313	F305-H309 VanDerWaalsContact O-CA 3.24Å; F305-H309 WeakPolarHBondContact O-CA 3.17Å; F305-H309 PolarHBondContact O-N 3.03Å; E306-H309 WeakPolarHBondContact O-CB 3.49Å; E306-H309 PolarHBondContact O-N 3.36Å; H309-L311 PolarHBondContact O-N 3.41Å; H309-L311 VanDerWaalsContact O-N 3.16Å; H309-F312 PolarHBondContact O-N 2.98Å; H309-F312 VanDerWaalsContact O-N 3.13Å; H309-M313 WeakPolarHBondContact O-CB 3.28Å; H309-M313 PolarHBondContact O-N 3.04Å
310	Q	87.6	Confident	87.4	Confident	173 Å²	173	115.5 Å²	115.5	81%	0.808	56%	0.555	S	S	*	*	H	α-helix	trans	-60.8	-23.7	179.1	-62.5	179.5	2.1	0	0	114.2	N308	N308-Q310 PolarHBondContact O-N 3.26Å
311	L	88.7	Confident	87.3	Confident	136 Å²	136	125 Å²	125	71%	0.712	59%	0.589	S	S	*	*	H	α-helix	trans	-92.9	-19.7	178.8	-60.2	177.4	0	0	0	113.1	N308 H309	N308-L311 WeakPolarHBondContact O-CB 3.35Å; N308-L311 PolarHBondContact O-N 2.84Å; H309-L311 PolarHBondContact O-N 3.41Å; H309-L311 VanDerWaalsContact O-N 3.16Å
312	F	89.3	Confident	87.3	Confident	103 Å²	103	123.1 Å²	123.1	45%	0.452	59%	0.588	S	S	.	*	H	α-helix	trans	-117.5	-1.8	-173.2	-64.2	-65.6	0	0	0	114.1	F304 F305 N308 H309	F304-F312 HydrophobicContact CD1-CE2 4.36Å; F304-F312 AromaticContact CE1-CE2 3.56Å; F304-F312 HydrophobicContact CE1-CE2 3.56Å; F304-F312 AromaticContact CE1-CZ 3.7Å; F304-F312 HydrophobicContact CE1-CZ 3.7Å; F304-F312 HydrophobicContact CZ-CE2 4.03Å; F304-F312 HydrophobicContact CZ-CZ 4.15Å; F305-F312 HydrophobicContact CD1-CB 3.77Å; F305-F312 HydrophobicContact CD1-CD1 4.11Å; F305-F312 AromaticContact CD1-CD2 3.7Å; F305-F312 HydrophobicContact CD1-CD2 3.7Å; F305-F312 HydrophobicContact CD1-CE2 4.29Å; F305-F312 AromaticContact CD1-CG 3.59Å; F305-F312 HydrophobicContact CD1-CG 3.59Å; F305-F312 HydrophobicContact CE1-CB 4.19Å; F305-F312 AromaticContact CE1-CD1 3.81Å; F305-F312 HydrophobicContact CE1-CD1 3.81Å; F305-F312 HydrophobicContact CE1-CD2 4.17Å; F305-F312 HydrophobicContact CE1-CE1 4.19Å; F305-F312 AromaticContact CE1-CG 3.8Å; F305-F312 HydrophobicContact CE1-CG 3.8Å; N308-F312 HydrophobicContact CB-CD2 3.65Å; N308-F312 HydrophobicContact CB-CE2 3.57Å; N308-F312 WeakPolarHBondContact O-CD2 3.44Å; H309-F312 PolarHBondContact O-N 2.98Å; H309-F312 VanDerWaalsContact O-N 3.13Å
313	M	88.5	Confident	87.3	Confident	105 Å²	105	125.5 Å²	125.5	52%	0.517	60%	0.599	S	S	.	*	S	Bend	trans	-64.7	144.5	170.6	64.1	-176.2	-61.5	0	0	111.4	H309 P315	H309-M313 WeakPolarHBondContact O-CB 3.28Å; H309-M313 PolarHBondContact O-N 3.04Å; M313-P315 WeakPolarHBondContact O-CD 3.23Å
314	L	87.1	Confident	87	Confident	143 Å²	143	130.4 Å²	130.4	75%	0.749	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-63.2	128	179.4	-172.4	69.4	0	0	0	110.2
315	P	89.7	Confident	86.4	Confident	104 Å²	104	129.5 Å²	129.5	68%	0.675	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-59.6	160.6	171.4	-24.7	35.4	0	0	0	112.2	M313 Q317	M313-P315 WeakPolarHBondContact O-CD 3.23Å; P315-Q317 PolarHBondContact O-N 2.9Å
316	K	87.8	Confident	86.4	Confident	195 Å²	195	128.3 Å²	128.3	85%	0.848	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-56.3	139.3	170.6	-69	-168.1	174.9	-167.6	0	110.2
317	Q	89.9	Confident	86.1	Confident	163 Å²	163	130.4 Å²	130.4	76%	0.762	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-63.3	153.4	175.9	-66.9	-178.6	-9.7	0	0	110.8	P315 E319	P315-Q317 PolarHBondContact O-N 2.9Å; Q317-E319 PolarHBondContact O-N 3.46Å
318	F	90.7	Very high	85.9	Confident	215 Å²	215	132.4 Å²	132.4	94%	0.943	66%	0.66	S	S	*	*			trans	-82.5	107.6	175.3	-65.4	-75.2	0	0	0	109.7
319	E	86.6	Confident	85.6	Confident	161 Å²	161	136.4 Å²	136.4	75%	0.752	68%	0.679	S	S	*	*			trans	-77.8	143.6	172.8	-68.1	157.7	-165.7	0	0	110.5	Q317 R321	Q317-E319 PolarHBondContact O-N 3.46Å; E319-R321 PolarHBondContact O-N 2.89Å
320	F	87.9	Confident	85.4	Confident	103 Å²	103	137 Å²	137	45%	0.452	68%	0.682	S	S	.	*			trans	-62	134.6	169	175.5	-108.6	0	0	0	109.6	P322 I328 M329	F320-P322 HydrophobicContact CE1-CB 3.97Å; F320-P322 WeakPolarHBondContact O-CD 3.45Å; F320-I328 VanDerWaalsContact CE1-O 3.28Å; F320-I328 WeakPolarHBondContact CE1-O 3.48Å; F320-M329 HydrophobicContact CB-CE 4.28Å; F320-M329 HydrophobicContact CD1-CE 4.27Å; F320-M329 HydrophobicContact CD1-CG 4.15Å
321	R	85.4	Confident	85.4	Confident	223 Å²	223	132.1 Å²	132.1	84%	0.842	66%	0.664	S	S	*	*			trans	-109.6	100.7	177.7	-68.7	-174.6	179.5	-177.9	-0.3	108.3	E319	E319-R321 PolarHBondContact O-N 2.89Å
322	P	84.7	Confident	85.1	Confident	72 Å²	72	128 Å²	128	47%	0.468	65%	0.646	S	S	.	*			trans	-60.2	143.7	177.8	22.9	-32.4	0	0	0	111	F320 D326	F320-P322 HydrophobicContact CE1-CB 3.97Å; F320-P322 WeakPolarHBondContact O-CD 3.45Å; P322-D326 HydrophobicContact CB-CB 4.48Å; P322-D326 WeakPolarHBondContact CB-O 3.44Å
323	Q	85.5	Confident	84.9	Confident	149 Å²	149	123.2 Å²	123.2	70%	0.696	63%	0.626	S	S	*	*			trans	-76	156.5	167.6	-169.4	61.9	14.9	0	0	108.9	G325 D326	Q323-G325 PolarHBondContact O-N 3.05Å; Q323-D326 WeakPolarHBondContact O-CB 3.29Å; Q323-D326 PolarHBondContact O-N 2.95Å
324	L	79.5	Confident	84.7	Confident	177 Å²	177	123.3 Å²	123.3	93%	0.927	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.9	107	-178.3	-81.4	156.8	0	0	0	112.5
325	G	74	Confident	84.2	Confident	78 Å²	78	123 Å²	123	80%	0.804	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	99.4	6.2	-179.3	0	0	0	0	0	115.7	Q323	Q323-G325 PolarHBondContact O-N 3.05Å
326	D	86.8	Confident	83.7	Confident	58 Å²	58	120.6 Å²	120.6	31%	0.31	61%	0.606	S	S	.	*			trans	-101.7	104.4	173.3	-177.9	10.8	0	0	0	110.5	P322 Q323 I328	P322-D326 HydrophobicContact CB-CB 4.48Å; P322-D326 WeakPolarHBondContact CB-O 3.44Å; Q323-D326 WeakPolarHBondContact O-CB 3.29Å; Q323-D326 PolarHBondContact O-N 2.95Å; D326-I328 PolarHBondContact OD1-N 3.35Å; D326-I328 VanDerWaalsContact OD1-N 3.09Å
327	D	78.1	Confident	83.6	Confident	159 Å²	159	113.9 Å²	113.9	85%	0.85	58%	0.579	S	S	*	*			trans	-91.5	3.7	178.3	-64.7	-43.9	0	0	0	112.8
328	I	81.8	Confident	83.3	Confident	97 Å²	97	106.2 Å²	106.2	50%	0.497	54%	0.543	S	S	.	.			trans	-91.5	117.5	-172.4	-56	178.5	0	0	0	110.5	F320 D326	F320-I328 VanDerWaalsContact CE1-O 3.28Å; F320-I328 WeakPolarHBondContact CE1-O 3.48Å; D326-I328 PolarHBondContact OD1-N 3.35Å; D326-I328 VanDerWaalsContact OD1-N 3.09Å
329	M	80.4	Confident	83	Confident	135 Å²	135	98.9 Å²	98.9	67%	0.665	52%	0.519	S	S	*	.			trans	-110.2	1.7	178.4	-58.4	-168.5	73.5	0	0	114.1	F320	F320-M329 HydrophobicContact CB-CE 4.28Å; F320-M329 HydrophobicContact CD1-CE 4.27Å; F320-M329 HydrophobicContact CD1-CG 4.15Å
330	E	84	Confident	83.1	Confident	128 Å²	128	93.5 Å²	93.5	60%	0.598	50%	0.495	S	S	*	.	S	Bend	trans	-113.8	163.9	-178	-61.9	-157	162.6	0	0	113	S332 K429	E330-S332 PolarHBondContact O-N 3.13Å; E330-K429 IonicContact OE1-NZ 2.69Å; E330-K429 PolarHBondContact OE1-NZ 3.29Å; E330-K429 IonicContact OE2-NZ 3.15Å; E330-K429 PolarHBondContact OE2-NZ 3Å
331	V	86.4	Confident	83.1	Confident	71 Å²	71	89.4 Å²	89.4	43%	0.43	48%	0.478	S	S	.	.			trans	-79.8	105.7	174.7	177.9	0	0	0	0	109.6	A426	V331-A426 HydrophobicContact CB-CB 3.99Å; V331-A426 HydrophobicContact CG1-CB 3.87Å; V331-A426 WeakPolarHBondContact O-CB 3.4Å
332	S	84.3	Confident	83.2	Confident	48 Å²	48	80.8 Å²	80.8	34%	0.336	45%	0.448	S	S	.	.			trans	-77.2	156.7	178.5	-173.4	0	0	0	0	113.5	E330 E334	E330-S332 PolarHBondContact O-N 3.13Å; S332-E334 WeakPolarHBondContact CB-OE1 3.34Å; S332-E334 PolarHBondContact OG-OE1 3.39Å
333	A	83.9	Confident	83.6	Confident	4 Å²	4	83.8 Å²	83.8	3%	0.033	46%	0.456	C	S	.	.			trans	-139.7	98.4	167.6	0	0	0	0	0	111.3	L341 S742 P743 I744	A333-L341 HydrophobicContact CB-CD1 3.93Å; A333-S742 WeakPolarHBondContact CB-OG 3.4Å; A333-P743 CarbonylContact O-C 3.52Å; A333-P743 VanDerWaalsContact O-CA 3.28Å; A333-P743 WeakPolarHBondContact O-CA 3.5Å; A333-I744 CarbonylContact C-O 3.56Å; A333-I744 WeakPolarHBondContact CA-O 3.43Å
334	E	84.2	Confident	83.9	Confident	106 Å²	106	81.5 Å²	81.5	50%	0.495	44%	0.441	S	S	.	.			trans	-126.6	-53	-144.3	-153.6	173.6	-71.5	0	0	122	S332 P743 I744	S332-E334 WeakPolarHBondContact CB-OE1 3.34Å; S332-E334 PolarHBondContact OG-OE1 3.39Å; E334-P743 CarbonylContact C-O 3.52Å; E334-P743 WeakPolarHBondContact CA-O 3.48Å; E334-P743 PolarHBondContact N-O 3.2Å; E334-I744 PolarHBondContact N-O 3.37Å
335	Q	77.8	Confident	84.4	Confident	137 Å²	137	73.9 Å²	73.9	64%	0.64	40%	0.401	S	S	*	.	S	Bend	trans	-154.4	3.1	-177.6	-149	48.6	-146	0	0	121.3	P743 I744 L745	Q335-P743 PolarHBondContact N-O 3.17Å; Q335-I744 VanDerWaalsContact CA-CG2 3.41Å; Q335-I744 WeakPolarHBondContact O-CG2 3.48Å; Q335-L745 HydrophobicContact CB-CB 3.99Å; Q335-L745 HydrophobicContact CB-CD2 4.37Å
336	S	79.1	Confident	85.2	Confident	53 Å²	53	74.1 Å²	74.1	37%	0.371	38%	0.383	S	S	.	.	S	Bend	trans	-170.3	-12.7	171.5	-52.4	0	0	0	0	119	I744 L745 S746	S336-I744 VanDerWaalsContact C-CB 3.41Å; S336-I744 WeakPolarHBondContact O-CG1 3.28Å; S336-L745 VanDerWaalsContact CA-CA 3.44Å; S336-L745 WeakPolarHBondContact OG-CD1 3.42Å; S336-S746 PolarHBondContact O-OG 3.28Å
337	L	84.5	Confident	85.5	Confident	54 Å²	54	77.1 Å²	77.1	28%	0.283	40%	0.395	S	S	.	.			trans	-84.7	-28.4	-177.7	-124.1	-172.1	0	0	0	121.6	D340 L341 I744 L745	L337-D340 WeakPolarHBondContact CA-OD2 3.34Å; L337-D340 HydrophobicContact CD2-CB 3.78Å; L337-D340 CarbonylContact O-C 3.49Å; L337-D340 WeakPolarHBondContact O-CA 3.44Å; L337-D340 WeakPolarHBondContact O-CB 3.32Å; L337-D340 PolarHBondContact O-N 3.44Å; L337-L341 HydrophobicContact CB-CG 4.37Å; L337-L341 HydrophobicContact CD1-CD1 4.33Å; L337-L341 HydrophobicContact CD1-CD2 4Å; L337-L341 HydrophobicContact CD1-CG 4.05Å; L337-L341 HydrophobicContact CD2-CD2 4.2Å; L337-L341 HydrophobicContact CD2-CG 4.12Å; L337-L341 HydrophobicContact CG-CG 4.38Å; L337-L341 PolarHBondContact O-N 3.35Å; L337-I744 WeakPolarHBondContact CB-O 3.47Å; L337-I744 VanDerWaalsContact N-CG1 3.3Å; L337-I744 PolarHBondContact N-O 2.91Å; L337-L745 VanDerWaalsContact CB-O 3.27Å; L337-L745 WeakPolarHBondContact CB-O 3.3Å; L337-L745 WeakPolarHBondContact CD1-O 3.42Å; L337-L745 WeakPolarHBondContact CG-O 3.4Å; L337-L745 VanDerWaalsContact N-C 3.29Å
338	S	83.6	Confident	86.2	Confident	3 Å²	3	69.7 Å²	69.7	2%	0.021	36%	0.355	C	S	.	.	H	α-helix	trans	-86.7	-18.6	-153.3	99.8	0	0	0	0	114.8	D340 L341 L342 P743 I744	S338-D340 PolarHBondContact O-N 3.2Å; S338-L341 PolarHBondContact O-N 2.9Å; S338-L342 VanDerWaalsContact O-CB 3.24Å; S338-L342 WeakPolarHBondContact O-CB 3.47Å; S338-L342 PolarHBondContact O-N 2.89Å; S338-P743 WeakPolarHBondContact OG-CB 3.45Å; S338-I744 VanDerWaalsContact N-CG1 3.32Å
339	S	85	Confident	86.6	Confident	60 Å²	60	67.5 Å²	67.5	42%	0.42	34%	0.343	S	S	.	.	H	α-helix	trans	-46.9	-47.4	149.7	36.3	0	0	0	0	110.3	Q343 I744	S339-Q343 WeakPolarHBondContact O-CB 3.35Å; S339-Q343 PolarHBondContact O-N 3.27Å; S339-I744 WeakPolarHBondContact OG-CD1 3.24Å
340	D	87.9	Confident	87.2	Confident	48 Å²	48	68.9 Å²	68.9	26%	0.257	35%	0.345	S	S	.	.	H	α-helix	trans	-78.5	-30.5	-177.2	-19.8	-19.9	0	0	0	111.3	L337 S338 R344 S746	L337-D340 WeakPolarHBondContact CA-OD2 3.34Å; L337-D340 HydrophobicContact CD2-CB 3.78Å; L337-D340 CarbonylContact O-C 3.49Å; L337-D340 WeakPolarHBondContact O-CA 3.44Å; L337-D340 WeakPolarHBondContact O-CB 3.32Å; L337-D340 PolarHBondContact O-N 3.44Å; S338-D340 PolarHBondContact O-N 3.2Å; D340-R344 WeakPolarHBondContact O-CA 3.36Å; D340-R344 WeakPolarHBondContact O-CB 3.37Å; D340-R344 PolarHBondContact O-N 3.44Å; D340-S746 WeakPolarHBondContact OD2-CB 3.23Å; D340-S746 PolarHBondContact OD2-OG 3.04Å
341	L	88.7	Confident	87.7	Confident	17 Å²	17	69.6 Å²	69.6	9%	0.089	34%	0.343	C	S	.	.	H	α-helix	trans	-69.2	-43.5	170.6	-70.3	174.6	0	0	0	110.8	A333 L337 S338 R344 Q345 I423 L427	A333-L341 HydrophobicContact CB-CD1 3.93Å; L337-L341 HydrophobicContact CB-CG 4.37Å; L337-L341 HydrophobicContact CD1-CD1 4.33Å; L337-L341 HydrophobicContact CD1-CD2 4Å; L337-L341 HydrophobicContact CD1-CG 4.05Å; L337-L341 HydrophobicContact CD2-CD2 4.2Å; L337-L341 HydrophobicContact CD2-CG 4.12Å; L337-L341 HydrophobicContact CG-CG 4.38Å; L337-L341 PolarHBondContact O-N 3.35Å; S338-L341 PolarHBondContact O-N 2.9Å; L341-R344 CarbonylContact O-C 3.38Å; L341-R344 PolarHBondContact O-N 3.19Å; L341-Q345 WeakPolarHBondContact O-CB 3.35Å; L341-Q345 PolarHBondContact O-N 3.21Å; L341-I423 HydrophobicContact CB-CG2 4.02Å; L341-I423 HydrophobicContact CD2-CG1 4.5Å; L341-I423 HydrophobicContact CD2-CG2 4.47Å; L341-L427 HydrophobicContact CB-CD1 4.31Å; L341-L427 HydrophobicContact CB-CD2 4.38Å
342	L	88.3	Confident	87.9	Confident	43 Å²	43	67.2 Å²	67.2	23%	0.225	33%	0.327	C	S	.	.	H	α-helix	trans	-64.8	-43.7	173.9	-179.8	63.6	0	0	0	110.6	S338 R344 Q345 L346 L427 I432 L434	S338-L342 VanDerWaalsContact O-CB 3.24Å; S338-L342 WeakPolarHBondContact O-CB 3.47Å; S338-L342 PolarHBondContact O-N 2.89Å; L342-R344 VanDerWaalsContact C-N 3.31Å; L342-R344 PolarHBondContact O-N 2.86Å; L342-Q345 PolarHBondContact O-N 3.19Å; L342-L346 HydrophobicContact CG-CD1 4.26Å; L342-L346 WeakPolarHBondContact O-CB 3.44Å; L342-L346 VanDerWaalsContact O-CG 3.29Å; L342-L346 WeakPolarHBondContact O-CG 3.43Å; L342-L346 PolarHBondContact O-N 3.21Å; L342-L427 HydrophobicContact CB-CD1 4.17Å; L342-L427 HydrophobicContact CD1-CD1 4.37Å; L342-I432 HydrophobicContact CD2-CG2 4.19Å; L342-L434 HydrophobicContact CD1-CD1 3.54Å; L342-L434 HydrophobicContact CD1-CG 4.35Å
343	Q	91.6	Very high	88.1	Confident	135 Å²	135	71.3 Å²	71.3	63%	0.631	34%	0.341	S	S	*	.	H	α-helix	trans	-61.9	-38	172.1	-175.1	-179.3	6.8	0	0	111.8	S339 Q347	S339-Q343 WeakPolarHBondContact O-CB 3.35Å; S339-Q343 PolarHBondContact O-N 3.27Å; Q343-Q347 VanDerWaalsContact O-CB 3.24Å; Q343-Q347 WeakPolarHBondContact O-CB 3.3Å; Q343-Q347 PolarHBondContact O-N 3.28Å
344	R	91.8	Very high	88.3	Confident	100 Å²	100	73.2 Å²	73.2	38%	0.377	36%	0.361	S	S	.	.	H	α-helix	trans	-70.9	-39	177.6	-174.6	71.8	-172.2	101.3	20.2	111.5	D340 L341 L342 Q347 I348 I423	D340-R344 WeakPolarHBondContact O-CA 3.36Å; D340-R344 WeakPolarHBondContact O-CB 3.37Å; D340-R344 PolarHBondContact O-N 3.44Å; L341-R344 CarbonylContact O-C 3.38Å; L341-R344 PolarHBondContact O-N 3.19Å; L342-R344 VanDerWaalsContact C-N 3.31Å; L342-R344 PolarHBondContact O-N 2.86Å; R344-Q347 PolarHBondContact O-N 3Å; R344-I348 HydrophobicContact CG-CD1 4.13Å; R344-I348 WeakPolarHBondContact O-CB 3.48Å; R344-I348 WeakPolarHBondContact O-CD1 3.42Å; R344-I348 WeakPolarHBondContact O-CG1 3.37Å; R344-I348 PolarHBondContact O-N 2.97Å; R344-I423 HydrophobicContact CG-CD1 4.27Å
345	Q	91.2	Very high	88.6	Confident	18 Å²	18	68.6 Å²	68.6	8%	0.084	34%	0.34	C	S	.	.	H	α-helix	trans	-61.2	-55.5	171.9	-179.3	178.9	-7.4	0	0	109.6	L341 L342 Q347 I348 E349 I423	L341-Q345 WeakPolarHBondContact O-CB 3.35Å; L341-Q345 PolarHBondContact O-N 3.21Å; L342-Q345 PolarHBondContact O-N 3.19Å; Q345-Q347 PolarHBondContact O-N 3.34Å; Q345-I348 CarbonylContact O-C 3.57Å; Q345-I348 WeakPolarHBondContact O-CA 3.26Å; Q345-I348 WeakPolarHBondContact O-CB 3.41Å; Q345-I348 PolarHBondContact O-N 3.46Å; Q345-E349 HydrophobicContact CG-CG 4.22Å; Q345-E349 VanDerWaalsContact CG-OE1 3.26Å; Q345-E349 WeakPolarHBondContact CG-OE1 3.43Å; Q345-E349 PolarHBondContact NE2-OE1 3.3Å; Q345-E349 WeakPolarHBondContact O-CG 3.34Å; Q345-E349 PolarHBondContact O-N 2.89Å; Q345-I423 HydrophobicContact CB-CG2 3.93Å
346	L	90.9	Very high	89.1	Confident	83 Å²	83	66.2 Å²	66.2	44%	0.435	33%	0.329	S	S	.	.	H	α-helix	trans	-55.4	-36.1	176.1	-72.1	165.8	0	0	0	112.8	L342 K350 L434	L342-L346 HydrophobicContact CG-CD1 4.26Å; L342-L346 WeakPolarHBondContact O-CB 3.44Å; L342-L346 VanDerWaalsContact O-CG 3.29Å; L342-L346 WeakPolarHBondContact O-CG 3.43Å; L342-L346 PolarHBondContact O-N 3.21Å; L346-K350 VanDerWaalsContact O-CB 3.25Å; L346-K350 WeakPolarHBondContact O-CB 3.32Å; L346-K350 PolarHBondContact O-N 3.26Å; L346-L434 HydrophobicContact CD2-CD2 3.78Å; L346-L434 HydrophobicContact CD2-CG 4.18Å
347	Q	93.3	Very high	89.5	Confident	121 Å²	121	69.6 Å²	69.6	57%	0.565	34%	0.337	S	S	*	.	H	α-helix	trans	-71.9	-31.6	174.7	-168.6	-167.4	45.4	0	0	113.1	Q343 R344 Q345 R351	Q343-Q347 VanDerWaalsContact O-CB 3.24Å; Q343-Q347 WeakPolarHBondContact O-CB 3.3Å; Q343-Q347 PolarHBondContact O-N 3.28Å; R344-Q347 PolarHBondContact O-N 3Å; Q345-Q347 PolarHBondContact O-N 3.34Å; Q347-R351 WeakPolarHBondContact O-CB 3.3Å; Q347-R351 PolarHBondContact O-N 3.32Å
348	I	92.3	Very high	89.7	Confident	2 Å²	2	70.7 Å²	70.7	1%	0.01	34%	0.341	C	S	.	.	H	α-helix	trans	-73.5	-47.7	173.3	-72.1	165	0	0	0	109.8	R344 Q345 R351 L352 L416 R419 I423	R344-I348 HydrophobicContact CG-CD1 4.13Å; R344-I348 WeakPolarHBondContact O-CB 3.48Å; R344-I348 WeakPolarHBondContact O-CD1 3.42Å; R344-I348 WeakPolarHBondContact O-CG1 3.37Å; R344-I348 PolarHBondContact O-N 2.97Å; Q345-I348 CarbonylContact O-C 3.57Å; Q345-I348 WeakPolarHBondContact O-CA 3.26Å; Q345-I348 WeakPolarHBondContact O-CB 3.41Å; Q345-I348 PolarHBondContact O-N 3.46Å; I348-R351 CarbonylContact O-C 3.46Å; I348-R351 WeakPolarHBondContact O-CA 3.46Å; I348-R351 WeakPolarHBondContact O-CB 3.48Å; I348-R351 PolarHBondContact O-N 2.64Å; I348-L352 HydrophobicContact CG2-CD1 3.81Å; I348-L352 HydrophobicContact CG2-CG 4.25Å; I348-L352 WeakPolarHBondContact O-CG 3.22Å; I348-L352 PolarHBondContact O-N 3.44Å; I348-L416 HydrophobicContact CG1-CD2 4.37Å; I348-L416 HydrophobicContact CG2-CB 4.11Å; I348-L416 HydrophobicContact CG2-CD2 4.26Å; I348-L416 WeakPolarHBondContact CG2-O 3.36Å; I348-R419 HydrophobicContact CD1-CB 4.29Å; I348-I423 HydrophobicContact CD1-CD1 4.08Å
349	E	90.6	Very high	89.9	Confident	52 Å²	52	71 Å²	71	24%	0.243	34%	0.342	C	S	.	.	H	α-helix	trans	-59.8	-50.5	179.6	-70.9	170.2	166	0	0	111.5	Q345 R351 L352 E353 S420	Q345-E349 HydrophobicContact CG-CG 4.22Å; Q345-E349 VanDerWaalsContact CG-OE1 3.26Å; Q345-E349 WeakPolarHBondContact CG-OE1 3.43Å; Q345-E349 PolarHBondContact NE2-OE1 3.3Å; Q345-E349 WeakPolarHBondContact O-CG 3.34Å; Q345-E349 PolarHBondContact O-N 2.89Å; E349-R351 PolarHBondContact O-N 3.47Å; E349-R351 VanDerWaalsContact O-N 3.14Å; E349-L352 CarbonylContact O-C 3.58Å; E349-L352 WeakPolarHBondContact O-CA 3.48Å; E349-L352 WeakPolarHBondContact O-CB 3.47Å; E349-L352 PolarHBondContact O-N 3.02Å; E349-E353 WeakPolarHBondContact O-CG 3.49Å; E349-E353 PolarHBondContact O-N 3.48Å; E349-S420 WeakPolarHBondContact CG-OG 3.32Å
350	K	92	Very high	90	Very high	163 Å²	163	70 Å²	70	71%	0.709	33%	0.332	S	S	*	.	H	α-helix	trans	-59.3	-27.8	174.2	-177	169.8	-177.9	171	0	113.5	L346	L346-K350 VanDerWaalsContact O-CB 3.25Å; L346-K350 WeakPolarHBondContact O-CB 3.32Å; L346-K350 PolarHBondContact O-N 3.26Å
351	R	93.9	Very high	90.1	Very high	143 Å²	143	72.6 Å²	72.6	54%	0.54	34%	0.343	S	S	.	.	H	α-helix	trans	-79.4	-34.9	173.3	-176.7	175.9	179.5	170.9	2.7	111.9	Q347 I348 E349 L355 L416	Q347-R351 WeakPolarHBondContact O-CB 3.3Å; Q347-R351 PolarHBondContact O-N 3.32Å; I348-R351 CarbonylContact O-C 3.46Å; I348-R351 WeakPolarHBondContact O-CA 3.46Å; I348-R351 WeakPolarHBondContact O-CB 3.48Å; I348-R351 PolarHBondContact O-N 2.64Å; E349-R351 PolarHBondContact O-N 3.47Å; E349-R351 VanDerWaalsContact O-N 3.14Å; R351-L355 VanDerWaalsContact O-CB 3.27Å; R351-L355 WeakPolarHBondContact O-CB 3.4Å; R351-L355 PolarHBondContact O-N 3.05Å; R351-L416 HydrophobicContact CG-CD1 4.13Å
352	L	91.3	Very high	90.3	Very high	21 Å²	21	72.2 Å²	72.2	11%	0.11	34%	0.341	C	S	.	.	H	α-helix	trans	-65.4	-44.4	175.1	-76.2	169.8	0	0	0	111.3	I348 E349 G354 L355 Q356 M413 L416 E417	I348-L352 HydrophobicContact CG2-CD1 3.81Å; I348-L352 HydrophobicContact CG2-CG 4.25Å; I348-L352 WeakPolarHBondContact O-CG 3.22Å; I348-L352 PolarHBondContact O-N 3.44Å; E349-L352 CarbonylContact O-C 3.58Å; E349-L352 WeakPolarHBondContact O-CA 3.48Å; E349-L352 WeakPolarHBondContact O-CB 3.47Å; E349-L352 PolarHBondContact O-N 3.02Å; L352-G354 PolarHBondContact O-N 2.94Å; L352-L355 PolarHBondContact O-N 3.29Å; L352-Q356 WeakPolarHBondContact O-CB 3.44Å; L352-Q356 PolarHBondContact O-N 2.89Å; L352-M413 HydrophobicContact CD2-CG 3.85Å; L352-L416 HydrophobicContact CD1-CB 4.39Å; L352-L416 HydrophobicContact CD2-CB 3.56Å; L352-L416 HydrophobicContact CD2-CD1 4.43Å; L352-L416 HydrophobicContact CG-CB 4Å; L352-E417 HydrophobicContact CD1-CG 3.84Å; L352-E417 HydrophobicContact CD2-CG 3.65Å; L352-E417 HydrophobicContact CG-CG 4.39Å
353	E	88.1	Confident	90.4	Very high	134 Å²	134	71.4 Å²	71.4	63%	0.626	34%	0.335	S	S	*	.	H	α-helix	trans	-52.2	-51.3	175.6	-70.3	174	157.8	0	0	112	E349 F357	E349-E353 WeakPolarHBondContact O-CG 3.49Å; E349-E353 PolarHBondContact O-N 3.48Å; E353-F357 PolarHBondContact O-N 3.36Å
354	G	88.2	Confident	90.3	Very high	44 Å²	44	70.9 Å²	70.9	45%	0.454	33%	0.331	S	S	.	.	H	α-helix	trans	-66.6	-41.7	178.5	0	0	0	0	0	113.3	L352 F357 E358	L352-G354 PolarHBondContact O-N 2.94Å; G354-F357 PolarHBondContact O-N 3.1Å; G354-E358 PolarHBondContact O-N 3.12Å; G354-E358 VanDerWaalsContact O-N 3.11Å
355	L	90.6	Very high	90.3	Very high	10 Å²	10	67.4 Å²	67.4	5%	0.052	32%	0.322	C	S	.	.	H	α-helix	trans	-68.9	-35.6	179.2	-173.1	65.1	0	0	0	112.2	R351 L352 E358 V359 N409 L412 M413 L416	R351-L355 VanDerWaalsContact O-CB 3.27Å; R351-L355 WeakPolarHBondContact O-CB 3.4Å; R351-L355 PolarHBondContact O-N 3.05Å; L352-L355 PolarHBondContact O-N 3.29Å; L355-E358 PolarHBondContact O-N 3.38Å; L355-V359 WeakPolarHBondContact O-CB 3.15Å; L355-V359 VanDerWaalsContact O-CG2 3.25Å; L355-V359 WeakPolarHBondContact O-CG2 3.25Å; L355-V359 PolarHBondContact O-N 2.5Å; L355-N409 HydrophobicContact CD1-CB 3.86Å; L355-L412 HydrophobicContact CD1-CD2 4.33Å; L355-L412 HydrophobicContact CD2-CB 4.13Å; L355-L412 HydrophobicContact CD2-CD2 3.9Å; L355-L412 HydrophobicContact CD2-CG 3.77Å; L355-M413 HydrophobicContact CD2-CB 3.91Å; L355-M413 HydrophobicContact CD2-CG 4.45Å; L355-L416 HydrophobicContact CD2-CD1 4.26Å
356	Q	87.6	Confident	90.3	Very high	86 Å²	86	66.8 Å²	66.8	40%	0.402	32%	0.319	S	S	.	.	H	α-helix	trans	-66.3	-41.7	177.1	-174	176.4	37.7	0	0	110.9	L352 V359 D360 M413	L352-Q356 WeakPolarHBondContact O-CB 3.44Å; L352-Q356 PolarHBondContact O-N 2.89Å; Q356-V359 PolarHBondContact O-N 3.2Å; Q356-D360 WeakPolarHBondContact O-CB 3.42Å; Q356-D360 PolarHBondContact O-N 2.91Å; Q356-M413 HydrophobicContact CB-SD 4.38Å
357	F	88	Confident	90.1	Very high	125 Å²	125	67.4 Å²	67.4	55%	0.548	32%	0.32	S	S	.	.	H	α-helix	trans	-60.9	-46.5	172.3	-176.3	-88.4	0	0	0	111.7	E353 G354 V359 D360 E361	E353-F357 PolarHBondContact O-N 3.36Å; G354-F357 PolarHBondContact O-N 3.1Å; F357-V359 PolarHBondContact O-N 3.49Å; F357-D360 WeakPolarHBondContact O-CB 3.36Å; F357-D360 PolarHBondContact O-N 2.89Å; F357-D360 VanDerWaalsContact O-N 3.17Å; F357-E361 HydrophobicContact CD1-CG 4.27Å; F357-E361 HydrophobicContact CE1-CG 3.78Å; F357-E361 WeakPolarHBondContact CE1-OE2 3.45Å; F357-E361 HydrophobicContact CZ-CG 4.07Å; F357-E361 PolarHBondContact O-N 3.35Å
358	E	89.3	Confident	89.9	Confident	77 Å²	77	64.7 Å²	64.7	36%	0.36	32%	0.318	S	S	.	.	H	α-helix	trans	-60.4	-43.8	177	-168.2	-172.6	155.7	0	0	112	G354 L355 D360 E361 V362 H405 N409	G354-E358 PolarHBondContact O-N 3.12Å; G354-E358 VanDerWaalsContact O-N 3.11Å; L355-E358 PolarHBondContact O-N 3.38Å; E358-D360 VanDerWaalsContact C-N 3.34Å; E358-D360 PolarHBondContact O-N 2.89Å; E358-E361 PolarHBondContact O-N 3.28Å; E358-V362 WeakPolarHBondContact O-CB 3.32Å; E358-V362 VanDerWaalsContact O-CG2 3.22Å; E358-V362 WeakPolarHBondContact O-CG2 3.13Å; E358-V362 PolarHBondContact O-N 2.82Å; E358-H405 IonicContact OE1-CD2 3.53Å; E358-H405 IonicContact OE1-CE1 3.29Å; E358-H405 PolarHBondContact OE1-CE1 3.42Å; E358-H405 IonicContact OE1-NE2 2.72Å; E358-H405 PolarHBondContact OE1-NE2 2.87Å; E358-N409 PolarHBondContact OE1-ND2 3.45Å
359	V	87.6	Confident	89.9	Confident	8 Å²	8	64.7 Å²	64.7	5%	0.048	32%	0.318	C	S	.	.	H	α-helix	trans	-63.2	-37.5	174.8	168.1	0	0	0	0	111.6	L355 Q356 F357 W363 F406 N409	L355-V359 WeakPolarHBondContact O-CB 3.15Å; L355-V359 VanDerWaalsContact O-CG2 3.25Å; L355-V359 WeakPolarHBondContact O-CG2 3.25Å; L355-V359 PolarHBondContact O-N 2.5Å; Q356-V359 PolarHBondContact O-N 3.2Å; F357-V359 PolarHBondContact O-N 3.49Å; V359-W363 VanDerWaalsContact O-CB 3.25Å; V359-W363 WeakPolarHBondContact O-CB 3.33Å; V359-W363 PolarHBondContact O-N 2.79Å; V359-F406 HydrophobicContact CG1-CD2 4.01Å; V359-F406 HydrophobicContact CG1-CE2 3.74Å; V359-N409 HydrophobicContact CG2-CB 3.66Å
360	D	87.6	Confident	89.9	Confident	39 Å²	39	63.7 Å²	63.7	21%	0.209	31%	0.314	C	S	.	.	H	α-helix	trans	-67.1	-41.2	175.9	-93.8	-16.2	0	0	0	113.2	Q356 F357 E358 W363 K364 R470	Q356-D360 WeakPolarHBondContact O-CB 3.42Å; Q356-D360 PolarHBondContact O-N 2.91Å; F357-D360 WeakPolarHBondContact O-CB 3.36Å; F357-D360 PolarHBondContact O-N 2.89Å; F357-D360 VanDerWaalsContact O-N 3.17Å; E358-D360 VanDerWaalsContact C-N 3.34Å; E358-D360 PolarHBondContact O-N 2.89Å; D360-W363 PolarHBondContact O-N 3.33Å; D360-K364 WeakPolarHBondContact O-CD 3.39Å; D360-K364 VanDerWaalsContact O-CG 3.29Å; D360-K364 WeakPolarHBondContact O-CG 3.33Å; D360-K364 PolarHBondContact O-N 3.46Å; D360-R470 IonicContact OD1-CZ 3.16Å; D360-R470 IonicContact OD1-NH1 2.75Å; D360-R470 PolarHBondContact OD1-NH1 3.46Å; D360-R470 IonicContact OD1-NH2 3.84Å; D360-R470 PolarHBondContact OD1-NH2 3.21Å
361	E	90.3	Very high	89.8	Confident	103 Å²	103	63.3 Å²	63.3	48%	0.481	31%	0.312	S	S	.	.	H	α-helix	trans	-69.5	-38.2	175.6	-67.8	-158.1	130.2	0	0	112.6	F357 E358 S365	F357-E361 HydrophobicContact CD1-CG 4.27Å; F357-E361 HydrophobicContact CE1-CG 3.78Å; F357-E361 WeakPolarHBondContact CE1-OE2 3.45Å; F357-E361 HydrophobicContact CZ-CG 4.07Å; F357-E361 PolarHBondContact O-N 3.35Å; E358-E361 PolarHBondContact O-N 3.28Å; E361-S365 WeakPolarHBondContact O-CB 3.42Å; E361-S365 PolarHBondContact O-N 3.34Å; E361-S365 PolarHBondContact O-OG 3.22Å
362	V	91.6	Very high	89.6	Confident	10 Å²	10	61.1 Å²	61.1	6%	0.061	31%	0.308	C	S	.	.	H	α-helix	trans	-68	-37.7	174.9	174	0	0	0	0	110.9	E358 S365 L366 K402 F406	E358-V362 WeakPolarHBondContact O-CB 3.32Å; E358-V362 VanDerWaalsContact O-CG2 3.22Å; E358-V362 WeakPolarHBondContact O-CG2 3.13Å; E358-V362 PolarHBondContact O-N 2.82Å; V362-S365 VanDerWaalsContact O-CB 3.31Å; V362-S365 WeakPolarHBondContact O-CB 3.37Å; V362-S365 PolarHBondContact O-N 2.98Å; V362-L366 HydrophobicContact CG1-CD1 4.45Å; V362-L366 WeakPolarHBondContact O-CG 3.36Å; V362-L366 PolarHBondContact O-N 3.41Å; V362-K402 HydrophobicContact CG1-CB 4.4Å; V362-K402 HydrophobicContact CG1-CD 4.15Å; V362-K402 VanDerWaalsContact CG1-O 3.29Å; V362-K402 WeakPolarHBondContact CG1-O 3.48Å; V362-K402 HydrophobicContact CG2-CD 4.49Å; V362-F406 HydrophobicContact CG1-CB 3.9Å
363	W	90.1	Very high	89.5	Confident	25 Å²	25	60.5 Å²	60.5	10%	0.095	31%	0.305	C	S	.	.	H	α-helix	trans	-63	-47.8	174.1	-176.5	-98.7	0	0	0	112.3	V359 D360 S365 L366 E367 F406 R470 I472	V359-W363 VanDerWaalsContact O-CB 3.25Å; V359-W363 WeakPolarHBondContact O-CB 3.33Å; V359-W363 PolarHBondContact O-N 2.79Å; D360-W363 PolarHBondContact O-N 3.33Å; W363-S365 PolarHBondContact O-N 3.09Å; W363-L366 HydrophobicContact CE3-CD1 4.41Å; W363-L366 WeakPolarHBondContact O-CA 3.43Å; W363-L366 WeakPolarHBondContact O-CB 3.47Å; W363-L366 PolarHBondContact O-N 3.07Å; W363-E367 HydrophobicContact CZ2-CG 4.27Å; W363-E367 PolarHBondContact NE1-OE1 2.99Å; W363-E367 PolarHBondContact O-N 3.49Å; W363-F406 HydrophobicContact CB-CE2 4.31Å; W363-F406 HydrophobicContact CD2-CE2 4.26Å; W363-F406 HydrophobicContact CD2-CZ 4.43Å; W363-F406 HydrophobicContact CE3-CD1 4.34Å; W363-F406 AromaticContact CE3-CD2 3.97Å; W363-F406 HydrophobicContact CE3-CD2 3.97Å; W363-F406 AromaticContact CE3-CE1 3.88Å; W363-F406 HydrophobicContact CE3-CE1 3.88Å; W363-F406 AromaticContact CE3-CE2 3.46Å; W363-F406 HydrophobicContact CE3-CE2 3.46Å; W363-F406 VanDerWaalsContact CE3-CE2 3.46Å; W363-F406 HydrophobicContact CE3-CG 4.39Å; W363-F406 AromaticContact CE3-CZ 3.41Å; W363-F406 HydrophobicContact CE3-CZ 3.41Å; W363-F406 VanDerWaalsContact CE3-CZ 3.41Å; W363-F406 HydrophobicContact CZ3-CD1 4.41Å; W363-F406 AromaticContact CZ3-CE1 3.8Å; W363-F406 HydrophobicContact CZ3-CE1 3.8Å; W363-F406 HydrophobicContact CZ3-CE2 4.23Å; W363-F406 AromaticContact CZ3-CZ 3.7Å; W363-F406 HydrophobicContact CZ3-CZ 3.7Å; W363-R470 HydrophobicContact CD2-CB 4.21Å; W363-R470 HydrophobicContact CD2-CG 4.45Å; W363-R470 HydrophobicContact CE3-CB 4.14Å; W363-R470 HydrophobicContact CH2-CB 3.68Å; W363-R470 HydrophobicContact CZ2-CB 3.74Å; W363-R470 HydrophobicContact CZ2-CG 4.45Å; W363-R470 HydrophobicContact CZ3-CB 3.87Å; W363-I472 HydrophobicContact CH2-CG1 3.64Å; W363-I472 HydrophobicContact CZ3-CD1 4.06Å; W363-I472 HydrophobicContact CZ3-CG1 3.52Å
364	K	89.7	Confident	89.5	Confident	124 Å²	124	57.6 Å²	57.6	54%	0.539	29%	0.293	S	S	.	.	H	α-helix	trans	-59	-37	173.8	-67.8	161.9	-170.8	165	0	112.1	D360 L366 A368	D360-K364 WeakPolarHBondContact O-CD 3.39Å; D360-K364 VanDerWaalsContact O-CG 3.29Å; D360-K364 WeakPolarHBondContact O-CG 3.33Å; D360-K364 PolarHBondContact O-N 3.46Å; K364-L366 VanDerWaalsContact C-N 3.3Å; K364-L366 PolarHBondContact O-N 3.38Å; K364-A368 WeakPolarHBondContact O-CB 3.41Å; K364-A368 PolarHBondContact O-N 2.92Å; K364-A368 VanDerWaalsContact O-N 3.07Å
365	S	91.6	Very high	89.5	Confident	28 Å²	28	61.5 Å²	61.5	20%	0.196	30%	0.299	C	S	.	.	H	α-helix	trans	-63.1	-35.9	174.4	-56.8	0	0	0	0	112.3	E361 V362 W363 S369	E361-S365 WeakPolarHBondContact O-CB 3.42Å; E361-S365 PolarHBondContact O-N 3.34Å; E361-S365 PolarHBondContact O-OG 3.22Å; V362-S365 VanDerWaalsContact O-CB 3.31Å; V362-S365 WeakPolarHBondContact O-CB 3.37Å; V362-S365 PolarHBondContact O-N 2.98Å; W363-S365 PolarHBondContact O-N 3.09Å; S365-S369 PolarHBondContact O-N 3.07Å; S365-S369 PolarHBondContact O-OG 2.87Å
366	L	91.8	Very high	89.3	Confident	4 Å²	4	62.4 Å²	62.4	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-72	-47.9	176.1	-76.7	165.9	0	0	0	111.8	V362 W363 K364 A368 S369 E370 Y399 K402 F403 F406	V362-L366 HydrophobicContact CG1-CD1 4.45Å; V362-L366 WeakPolarHBondContact O-CG 3.36Å; V362-L366 PolarHBondContact O-N 3.41Å; W363-L366 HydrophobicContact CE3-CD1 4.41Å; W363-L366 WeakPolarHBondContact O-CA 3.43Å; W363-L366 WeakPolarHBondContact O-CB 3.47Å; W363-L366 PolarHBondContact O-N 3.07Å; K364-L366 VanDerWaalsContact C-N 3.3Å; K364-L366 PolarHBondContact O-N 3.38Å; L366-A368 VanDerWaalsContact C-N 3.3Å; L366-A368 PolarHBondContact O-N 3.47Å; L366-S369 PolarHBondContact O-N 3.38Å; L366-S369 PolarHBondContact O-OG 3.08Å; L366-E370 WeakPolarHBondContact O-CB 3.36Å; L366-E370 PolarHBondContact O-N 3.29Å; L366-Y399 HydrophobicContact CB-CE2 4.47Å; L366-Y399 HydrophobicContact CD2-CD2 3.57Å; L366-Y399 HydrophobicContact CD2-CE2 3.68Å; L366-Y399 HydrophobicContact CD2-CG 4.16Å; L366-Y399 WeakPolarHBondContact CD2-O 3.48Å; L366-K402 HydrophobicContact CD2-CB 3.76Å; L366-K402 HydrophobicContact CG-CB 3.94Å; L366-F403 HydrophobicContact CD2-CB 3.92Å; L366-F406 HydrophobicContact CD1-CB 3.69Å; L366-F406 HydrophobicContact CD1-CD1 4.38Å; L366-F406 HydrophobicContact CD1-CG 3.95Å
367	E	87.8	Confident	89.1	Confident	97 Å²	97	63.3 Å²	63.3	45%	0.453	31%	0.305	S	S	.	.	H	α-helix	trans	-57.9	-42.5	177.1	-68.9	176.9	144.8	0	0	112	W363 K371	W363-E367 HydrophobicContact CZ2-CG 4.27Å; W363-E367 PolarHBondContact NE1-OE1 2.99Å; W363-E367 PolarHBondContact O-N 3.49Å; E367-K371 WeakPolarHBondContact O-CB 3.44Å; E367-K371 PolarHBondContact O-N 2.86Å
368	A	89.2	Confident	88.8	Confident	63 Å²	63	64 Å²	64	52%	0.521	31%	0.314	S	S	.	.	H	α-helix	trans	-64.1	-43	177.2	0	0	0	0	0	112.6	K364 L366 Q372	K364-A368 WeakPolarHBondContact O-CB 3.41Å; K364-A368 PolarHBondContact O-N 2.92Å; K364-A368 VanDerWaalsContact O-N 3.07Å; L366-A368 VanDerWaalsContact C-N 3.3Å; L366-A368 PolarHBondContact O-N 3.47Å; A368-Q372 PolarHBondContact O-N 3.41Å
369	S	91.2	Very high	88.1	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-77.7	-30.8	179.6	49	0	0	0	0	113.1	S365 L366 Q372 L373	S365-S369 PolarHBondContact O-N 3.07Å; S365-S369 PolarHBondContact O-OG 2.87Å; L366-S369 PolarHBondContact O-N 3.38Å; L366-S369 PolarHBondContact O-OG 3.08Å; S369-Q372 PolarHBondContact O-N 3.45Å; S369-L373 WeakPolarHBondContact O-CB 3.5Å; S369-L373 VanDerWaalsContact O-CG 3.27Å; S369-L373 WeakPolarHBondContact O-CG 3.45Å; S369-L373 PolarHBondContact O-N 2.89Å
370	E	91	Very high	86.8	Confident	31 Å²	31	67.3 Å²	67.3	15%	0.145	33%	0.334	C	S	.	.	H	α-helix	trans	-62.1	-46.4	169	-166.2	164.7	131	0	0	110.5	L366 Q372 L373 L374 Y399 G473 G474	L366-E370 WeakPolarHBondContact O-CB 3.36Å; L366-E370 PolarHBondContact O-N 3.29Å; E370-Q372 VanDerWaalsContact C-N 3.34Å; E370-Q372 PolarHBondContact O-N 2.9Å; E370-L373 PolarHBondContact O-N 3.29Å; E370-L374 HydrophobicContact CG-CD1 4.35Å; E370-L374 WeakPolarHBondContact O-CG 3.48Å; E370-L374 PolarHBondContact O-N 2.7Å; E370-Y399 HydrophobicContact CB-CD2 4.44Å; E370-Y399 HydrophobicContact CB-CE2 3.83Å; E370-Y399 HydrophobicContact CG-CE2 4.33Å; E370-Y399 PolarHBondContact OE2-OH 3.19Å; E370-G473 WeakPolarHBondContact OE1-CA 3.44Å; E370-G473 PolarHBondContact OE1-N 3.48Å; E370-G473 VanDerWaalsContact OE1-N 3.13Å; E370-G473 PolarHBondContact OE2-N 3.49Å; E370-G474 PolarHBondContact OE1-N 3.45Å
371	K	88.8	Confident	85.5	Confident	154 Å²	154	74.1 Å²	74.1	67%	0.67	36%	0.362	S	S	*	.	H	α-helix	trans	-60.2	-42.2	174.9	-174.7	176.2	179.7	178.8	0	112.1	E367 L374 Q375	E367-K371 WeakPolarHBondContact O-CB 3.44Å; E367-K371 PolarHBondContact O-N 2.86Å; K371-L374 PolarHBondContact O-N 3.4Å; K371-Q375 WeakPolarHBondContact O-CB 3.47Å; K371-Q375 PolarHBondContact O-N 3.02Å
372	Q	90.5	Very high	83.8	Confident	97 Å²	97	77.1 Å²	77.1	45%	0.453	38%	0.381	S	S	.	.	H	α-helix	trans	-63.9	-42.7	176.1	-174.3	179.9	-8.3	0	0	112.1	A368 S369 E370 Q375 L376 T395	A368-Q372 PolarHBondContact O-N 3.41Å; S369-Q372 PolarHBondContact O-N 3.45Å; E370-Q372 VanDerWaalsContact C-N 3.34Å; E370-Q372 PolarHBondContact O-N 2.9Å; Q372-Q375 PolarHBondContact O-N 3.15Å; Q372-L376 HydrophobicContact CG-CD1 4.4Å; Q372-L376 WeakPolarHBondContact O-CG 3.4Å; Q372-L376 PolarHBondContact O-N 2.84Å; Q372-T395 HydrophobicContact CB-CG2 4.1Å; Q372-T395 HydrophobicContact CG-CG2 3.89Å; Q372-T395 PolarHBondContact NE2-OG1 2.87Å
373	L	90.3	Very high	82.4	Confident	9 Å²	9	79 Å²	79	5%	0.047	40%	0.403	C	S	.	.	H	α-helix	trans	-61.6	-47.7	175.6	-74	168.5	0	0	0	111.9	S369 E370 Q375 L376 Y377 L392 T395 Y396 Y399	S369-L373 WeakPolarHBondContact O-CB 3.5Å; S369-L373 VanDerWaalsContact O-CG 3.27Å; S369-L373 WeakPolarHBondContact O-CG 3.45Å; S369-L373 PolarHBondContact O-N 2.89Å; E370-L373 PolarHBondContact O-N 3.29Å; L373-Q375 VanDerWaalsContact C-N 3.3Å; L373-Q375 PolarHBondContact O-N 3.46Å; L373-L376 PolarHBondContact O-N 3.49Å; L373-Y377 WeakPolarHBondContact O-CD2 3.32Å; L373-Y377 PolarHBondContact O-N 2.92Å; L373-L392 HydrophobicContact CD2-CD1 3.76Å; L373-T395 HydrophobicContact CD2-CG2 3.82Å; L373-T395 HydrophobicContact CG-CG2 3.78Å; L373-Y396 HydrophobicContact CD1-CD2 3.67Å; L373-Y396 HydrophobicContact CD1-CE2 4.28Å; L373-Y396 HydrophobicContact CD1-CG 4.48Å; L373-Y396 HydrophobicContact CD2-CD2 3.88Å; L373-Y396 HydrophobicContact CD2-CG 4.48Å; L373-Y396 HydrophobicContact CG-CD2 4.41Å; L373-Y399 HydrophobicContact CD1-CD1 4.35Å; L373-Y399 HydrophobicContact CD1-CD2 4.36Å; L373-Y399 HydrophobicContact CD1-CG 4Å
374	L	87.9	Confident	81.6	Confident	73 Å²	73	85.2 Å²	85.2	38%	0.382	43%	0.433	S	S	.	.	H	α-helix	trans	-62.1	-37.7	177.4	-68.1	172.9	0	0	0	112	E370 K371 N378 I475	E370-L374 HydrophobicContact CG-CD1 4.35Å; E370-L374 WeakPolarHBondContact O-CG 3.48Å; E370-L374 PolarHBondContact O-N 2.7Å; K371-L374 PolarHBondContact O-N 3.4Å; L374-N378 PolarHBondContact O-N 3Å; L374-N378 VanDerWaalsContact O-N 3.16Å; L374-N378 PolarHBondContact O-ND2 3.21Å; L374-N378 VanDerWaalsContact O-ND2 3.11Å; L374-I475 HydrophobicContact CD1-CD1 4.44Å; L374-I475 HydrophobicContact CD1-CG1 4.08Å
375	Q	87	Confident	80.8	Confident	125 Å²	125	81.7 Å²	81.7	58%	0.584	43%	0.428	S	S	*	.	H	α-helix	trans	-63.6	-46.3	172.8	-174.1	173	-2.9	0	0	111.7	K371 Q372 L373 Y377 N378 T379	K371-Q375 WeakPolarHBondContact O-CB 3.47Å; K371-Q375 PolarHBondContact O-N 3.02Å; Q372-Q375 PolarHBondContact O-N 3.15Å; L373-Q375 VanDerWaalsContact C-N 3.3Å; L373-Q375 PolarHBondContact O-N 3.46Å; Q375-Y377 VanDerWaalsContact C-N 3.35Å; Q375-Y377 PolarHBondContact O-N 2.86Å; Q375-N378 PolarHBondContact O-N 3.16Å; Q375-N378 VanDerWaalsContact O-N 3.17Å; Q375-T379 WeakPolarHBondContact O-CG2 3.49Å; Q375-T379 PolarHBondContact O-N 3.29Å; Q375-T379 VanDerWaalsContact O-N 3.1Å; Q375-T379 PolarHBondContact O-OG1 3.35Å
376	L	86.6	Confident	80.1	Confident	30 Å²	30	83 Å²	83	16%	0.157	45%	0.446	C	S	.	.	H	α-helix	trans	-58.8	-43.2	177.4	-74.3	169.6	0	0	0	112.1	Q372 L373 N378 T379 W388 L392	Q372-L376 HydrophobicContact CG-CD1 4.4Å; Q372-L376 WeakPolarHBondContact O-CG 3.4Å; Q372-L376 PolarHBondContact O-N 2.84Å; L373-L376 PolarHBondContact O-N 3.49Å; L376-N378 PolarHBondContact O-N 3.49Å; L376-T379 WeakPolarHBondContact CA-OG1 3.47Å; L376-T379 PolarHBondContact O-N 3.2Å; L376-T379 PolarHBondContact O-OG1 2.64Å; L376-W388 PolarHBondContact O-NE1 2.67Å; L376-L392 HydrophobicContact CB-CD1 3.99Å; L376-L392 HydrophobicContact CD1-CD1 4.3Å
377	Y	84.3	Confident	79.7	Confident	105 Å²	105	89.1 Å²	89.1	41%	0.412	47%	0.472	S	S	.	.	H	α-helix	trans	-62.3	-39.8	175.5	-77.1	-63	0	0	0	113	L373 Q375 T379 Q380 W388 L392	L373-Y377 WeakPolarHBondContact O-CD2 3.32Å; L373-Y377 PolarHBondContact O-N 2.92Å; Q375-Y377 VanDerWaalsContact C-N 3.35Å; Q375-Y377 PolarHBondContact O-N 2.86Å; Y377-T379 VanDerWaalsContact C-N 3.31Å; Y377-T379 PolarHBondContact O-N 3.19Å; Y377-Q380 WeakPolarHBondContact O-CB 3.39Å; Y377-Q380 PolarHBondContact O-N 2.79Å; Y377-W388 HydrophobicContact CD1-CZ2 4.22Å; Y377-W388 HydrophobicContact CE1-CZ2 4.5Å; Y377-L392 HydrophobicContact CD2-CD1 4.26Å; Y377-L392 HydrophobicContact CE1-CD1 4.14Å; Y377-L392 HydrophobicContact CE1-CD2 3.81Å; Y377-L392 HydrophobicContact CE2-CD1 3.87Å
378	N	80.8	Confident	79.6	Confident	138 Å²	138	86.1 Å²	86.1	74%	0.738	46%	0.457	S	S	*	.	H	α-helix	trans	-67.6	-28.6	177.1	-73.3	-38.3	0	0	0	113.1	L374 Q375 L376	L374-N378 PolarHBondContact O-N 3Å; L374-N378 VanDerWaalsContact O-N 3.16Å; L374-N378 PolarHBondContact O-ND2 3.21Å; L374-N378 VanDerWaalsContact O-ND2 3.11Å; Q375-N378 PolarHBondContact O-N 3.16Å; Q375-N378 VanDerWaalsContact O-N 3.17Å; L376-N378 PolarHBondContact O-N 3.49Å
379	T	74.7	Confident	79.4	Confident	70 Å²	70	91 Å²	91	43%	0.429	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	4	-179.5	55.3	0	0	0	0	115.5	Q375 L376 Y377 F381	Q375-T379 WeakPolarHBondContact O-CG2 3.49Å; Q375-T379 PolarHBondContact O-N 3.29Å; Q375-T379 VanDerWaalsContact O-N 3.1Å; Q375-T379 PolarHBondContact O-OG1 3.35Å; L376-T379 WeakPolarHBondContact CA-OG1 3.47Å; L376-T379 PolarHBondContact O-N 3.2Å; L376-T379 PolarHBondContact O-OG1 2.64Å; Y377-T379 VanDerWaalsContact C-N 3.31Å; Y377-T379 PolarHBondContact O-N 3.19Å; T379-F381 VanDerWaalsContact C-N 3.26Å; T379-F381 PolarHBondContact O-N 2.68Å; T379-F381 VanDerWaalsContact O-N 3.08Å
380	Q	60.8	Low	79.3	Confident	85 Å²	85	95.3 Å²	95.3	40%	0.397	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-24.7	-165.3	-177.9	176.8	-21.5	0	0	115.4	Y377 W388	Y377-Q380 WeakPolarHBondContact O-CB 3.39Å; Y377-Q380 PolarHBondContact O-N 2.79Å; Q380-W388 HydrophobicContact CB-CZ2 3.9Å; Q380-W388 VanDerWaalsContact CD-CZ2 3.42Å; Q380-W388 HydrophobicContact CG-CD2 4.17Å; Q380-W388 HydrophobicContact CG-CE3 4.34Å; Q380-W388 HydrophobicContact CG-CH2 3.8Å; Q380-W388 HydrophobicContact CG-CZ2 3.56Å; Q380-W388 HydrophobicContact CG-CZ3 4.18Å; Q380-W388 VanDerWaalsContact OE1-CH2 3.31Å; Q380-W388 VanDerWaalsContact OE1-CZ2 3.24Å
381	F	59	Low	79.1	Confident	183 Å²	183	96.5 Å²	96.5	80%	0.803	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-14.5	-167.5	-68	-79	0	0	0	115.8	T379	T379-F381 VanDerWaalsContact C-N 3.26Å; T379-F381 PolarHBondContact O-N 2.68Å; T379-F381 VanDerWaalsContact O-N 3.08Å
382	D	56	Low	79.2	Confident	165 Å²	165	90.1 Å²	90.1	88%	0.882	47%	0.465	S	S	*	.	S	Bend	trans	-109.8	6.1	-172.6	-63.4	-52.3	0	0	0	114.7
383	G	61.8	Low	79.2	Confident	51 Å²	51	90.7 Å²	90.7	53%	0.526	47%	0.467	S	S	.	.	S	Bend	trans	-126.7	166.9	-164	0	0	0	0	0	117.5	A385	G383-A385 PolarHBondContact O-N 2.61Å
384	E	73.2	Confident	79.4	Confident	154 Å²	154	94.4 Å²	94.4	72%	0.72	49%	0.49	S	S	*	.			trans	-63.5	104.7	172.3	-69.8	-173.6	158.4	0	0	111.4	G386 K387 W388	E384-G386 PolarHBondContact O-N 2.68Å; E384-K387 HydrophobicContact CB-CB 4.3Å; E384-K387 PolarHBondContact O-N 2.8Å; E384-W388 PolarHBondContact O-N 2.74Å
385	A	71.9	Confident	79.6	Confident	51 Å²	51	91.4 Å²	91.4	42%	0.421	48%	0.475	S	S	.	.	H	α-helix	trans	-60.2	-15.8	-174.7	0	0	0	0	0	115.4	G383 R389	G383-A385 PolarHBondContact O-N 2.61Å; A385-R389 WeakPolarHBondContact O-CD 3.41Å; A385-R389 VanDerWaalsContact O-CG 3.23Å; A385-R389 WeakPolarHBondContact O-CG 3.24Å
386	G	78.6	Confident	79.9	Confident	56 Å²	56	90.5 Å²	90.5	58%	0.577	47%	0.467	S	S	*	.	H	α-helix	trans	-75	-53.4	170.9	0	0	0	0	0	112	E384 R389 N390	E384-G386 PolarHBondContact O-N 2.68Å; G386-R389 PolarHBondContact O-N 2.76Å; G386-N390 PolarHBondContact O-N 2.95Å
387	K	83.3	Confident	80.3	Confident	131 Å²	131	94 Å²	94	57%	0.57	48%	0.482	S	S	*	.	H	α-helix	trans	-63	-49.4	179.2	-176.9	-178	175.4	-173.7	0	111.6	E384 R389 N390 D391	E384-K387 HydrophobicContact CB-CB 4.3Å; E384-K387 PolarHBondContact O-N 2.8Å; K387-R389 VanDerWaalsContact C-N 3.28Å; K387-R389 PolarHBondContact O-N 2.98Å; K387-N390 WeakPolarHBondContact O-CB 3.29Å; K387-N390 PolarHBondContact O-N 2.73Å; K387-D391 VanDerWaalsContact CE-OD2 3.26Å; K387-D391 WeakPolarHBondContact CE-OD2 3.32Å; K387-D391 WeakPolarHBondContact CG-OD2 3.48Å; K387-D391 PolarHBondContact O-N 3.47Å
388	W	85.2	Confident	80.8	Confident	35 Å²	35	94.5 Å²	94.5	13%	0.133	48%	0.484	C	S	.	.	H	α-helix	trans	-55.2	-41	179	170.1	86.9	0	0	0	112.7	L376 Y377 Q380 E384 L392	L376-W388 PolarHBondContact O-NE1 2.67Å; Y377-W388 HydrophobicContact CD1-CZ2 4.22Å; Y377-W388 HydrophobicContact CE1-CZ2 4.5Å; Q380-W388 HydrophobicContact CB-CZ2 3.9Å; Q380-W388 VanDerWaalsContact CD-CZ2 3.42Å; Q380-W388 HydrophobicContact CG-CD2 4.17Å; Q380-W388 HydrophobicContact CG-CE3 4.34Å; Q380-W388 HydrophobicContact CG-CH2 3.8Å; Q380-W388 HydrophobicContact CG-CZ2 3.56Å; Q380-W388 HydrophobicContact CG-CZ3 4.18Å; Q380-W388 VanDerWaalsContact OE1-CH2 3.31Å; Q380-W388 VanDerWaalsContact OE1-CZ2 3.24Å; E384-W388 PolarHBondContact O-N 2.74Å; W388-L392 HydrophobicContact CH2-CD2 3.95Å; W388-L392 HydrophobicContact CZ2-CD2 3.9Å; W388-L392 WeakPolarHBondContact O-CB 3.16Å; W388-L392 PolarHBondContact O-N 3.45Å
389	R	85.6	Confident	81.5	Confident	165 Å²	165	89 Å²	89	62%	0.623	45%	0.453	S	S	*	.	H	α-helix	trans	-64.1	-40.6	175.6	-79.1	177.3	-176.5	133.2	0.1	112.8	A385 G386 K387 H393	A385-R389 WeakPolarHBondContact O-CD 3.41Å; A385-R389 VanDerWaalsContact O-CG 3.23Å; A385-R389 WeakPolarHBondContact O-CG 3.24Å; G386-R389 PolarHBondContact O-N 2.76Å; K387-R389 VanDerWaalsContact C-N 3.28Å; K387-R389 PolarHBondContact O-N 2.98Å; R389-H393 VanDerWaalsContact O-CB 3.32Å; R389-H393 WeakPolarHBondContact O-CB 3.38Å; R389-H393 PolarHBondContact O-N 2.78Å
390	N	88.1	Confident	82.4	Confident	93 Å²	93	89 Å²	89	50%	0.497	45%	0.45	S	S	.	.	H	α-helix	trans	-66.6	-49.4	178.1	179.6	82.2	0	0	0	111.2	G386 K387 L392 H393 V394	G386-N390 PolarHBondContact O-N 2.95Å; K387-N390 WeakPolarHBondContact O-CB 3.29Å; K387-N390 PolarHBondContact O-N 2.73Å; N390-L392 VanDerWaalsContact C-N 3.31Å; N390-L392 PolarHBondContact O-N 3.5Å; N390-H393 PolarHBondContact O-N 2.94Å; N390-H393 VanDerWaalsContact O-N 3.11Å; N390-V394 WeakPolarHBondContact O-CG2 3.42Å; N390-V394 PolarHBondContact O-N 3.23Å
391	D	87.8	Confident	84	Confident	56 Å²	56	92.2 Å²	92.2	30%	0.299	46%	0.463	S	S	.	.	H	α-helix	trans	-63.9	-39.2	-177.8	-62.4	-6.2	0	0	0	110.8	K387 T395	K387-D391 VanDerWaalsContact CE-OD2 3.26Å; K387-D391 WeakPolarHBondContact CE-OD2 3.32Å; K387-D391 WeakPolarHBondContact CG-OD2 3.48Å; K387-D391 PolarHBondContact O-N 3.47Å; D391-T395 WeakPolarHBondContact O-CB 3.36Å; D391-T395 PolarHBondContact O-N 2.68Å; D391-T395 PolarHBondContact O-OG1 3.48Å
392	L	90.2	Very high	85.7	Confident	21 Å²	21	86.2 Å²	86.2	11%	0.11	44%	0.436	C	S	.	.	H	α-helix	trans	-61.5	-48.3	170.5	-173.5	75.4	0	0	0	111.9	L373 L376 Y377 W388 N390 T395 Y396	L373-L392 HydrophobicContact CD2-CD1 3.76Å; L376-L392 HydrophobicContact CB-CD1 3.99Å; L376-L392 HydrophobicContact CD1-CD1 4.3Å; Y377-L392 HydrophobicContact CD2-CD1 4.26Å; Y377-L392 HydrophobicContact CE1-CD1 4.14Å; Y377-L392 HydrophobicContact CE1-CD2 3.81Å; Y377-L392 HydrophobicContact CE2-CD1 3.87Å; W388-L392 HydrophobicContact CH2-CD2 3.95Å; W388-L392 HydrophobicContact CZ2-CD2 3.9Å; W388-L392 WeakPolarHBondContact O-CB 3.16Å; W388-L392 PolarHBondContact O-N 3.45Å; N390-L392 VanDerWaalsContact C-N 3.31Å; N390-L392 PolarHBondContact O-N 3.5Å; L392-T395 PolarHBondContact O-N 3.42Å; L392-Y396 WeakPolarHBondContact O-CB 3.42Å; L392-Y396 PolarHBondContact O-N 3.5Å
393	H	90.9	Very high	87.5	Confident	109 Å²	109	81.3 Å²	81.3	51%	0.505	41%	0.408	S	S	.	.	H	α-helix	trans	-61.7	-47.2	-179.7	-174.4	83.7	0	0	0	112.1	R389 N390 T395 Y396 Q397	R389-H393 VanDerWaalsContact O-CB 3.32Å; R389-H393 WeakPolarHBondContact O-CB 3.38Å; R389-H393 PolarHBondContact O-N 2.78Å; N390-H393 PolarHBondContact O-N 2.94Å; N390-H393 VanDerWaalsContact O-N 3.11Å; H393-T395 PolarHBondContact O-N 3.43Å; H393-Y396 PolarHBondContact O-N 3.28Å; H393-Q397 PolarHBondContact CE1-NE2 3.19Å; H393-Q397 VanDerWaalsContact CE1-NE2 3.33Å; H393-Q397 PolarHBondContact NE2-NE2 3.4Å; H393-Q397 VanDerWaalsContact O-CG 3.25Å; H393-Q397 WeakPolarHBondContact O-CG 3.49Å; H393-Q397 PolarHBondContact O-N 3.42Å
394	V	93.8	Very high	89	Confident	86 Å²	86	84.7 Å²	84.7	52%	0.521	41%	0.41	S	S	.	.	H	α-helix	trans	-61.5	-44.5	178.5	172.4	0	0	0	0	111	N390 Y396 Q397 Y398	N390-V394 WeakPolarHBondContact O-CG2 3.42Å; N390-V394 PolarHBondContact O-N 3.23Å; V394-Y396 VanDerWaalsContact C-N 3.34Å; V394-Y396 PolarHBondContact O-N 3.29Å; V394-Q397 PolarHBondContact O-N 2.75Å; V394-Y398 PolarHBondContact O-N 3.06Å; V394-Y398 VanDerWaalsContact O-N 3.08Å
395	T	92.5	Very high	89.9	Confident	11 Å²	11	81 Å²	81	7%	0.067	39%	0.392	C	S	.	.	H	α-helix	trans	-63.8	-40.4	177.3	-49.7	0	0	0	0	111.4	Q372 L373 D391 L392 H393 Y398 Y399	Q372-T395 HydrophobicContact CB-CG2 4.1Å; Q372-T395 HydrophobicContact CG-CG2 3.89Å; Q372-T395 PolarHBondContact NE2-OG1 2.87Å; L373-T395 HydrophobicContact CD2-CG2 3.82Å; L373-T395 HydrophobicContact CG-CG2 3.78Å; D391-T395 WeakPolarHBondContact O-CB 3.36Å; D391-T395 PolarHBondContact O-N 2.68Å; D391-T395 PolarHBondContact O-OG1 3.48Å; L392-T395 PolarHBondContact O-N 3.42Å; H393-T395 PolarHBondContact O-N 3.43Å; T395-Y398 PolarHBondContact O-N 3.49Å; T395-Y399 WeakPolarHBondContact O-CB 3.33Å; T395-Y399 PolarHBondContact O-N 3.14Å
396	Y	93.7	Very high	90.9	Very high	105 Å²	105	79.8 Å²	79.8	41%	0.412	38%	0.378	S	S	.	.	H	α-helix	trans	-69.9	-38.3	-179.9	-155.2	-92.1	0	0	0	112.3	L373 L392 H393 V394 Y399 L400	L373-Y396 HydrophobicContact CD1-CD2 3.67Å; L373-Y396 HydrophobicContact CD1-CE2 4.28Å; L373-Y396 HydrophobicContact CD1-CG 4.48Å; L373-Y396 HydrophobicContact CD2-CD2 3.88Å; L373-Y396 HydrophobicContact CD2-CG 4.48Å; L373-Y396 HydrophobicContact CG-CD2 4.41Å; L392-Y396 WeakPolarHBondContact O-CB 3.42Å; L392-Y396 PolarHBondContact O-N 3.5Å; H393-Y396 PolarHBondContact O-N 3.28Å; V394-Y396 VanDerWaalsContact C-N 3.34Å; V394-Y396 PolarHBondContact O-N 3.29Å; Y396-Y399 PolarHBondContact O-N 3.18Å; Y396-L400 HydrophobicContact CD1-CD1 3.72Å; Y396-L400 HydrophobicContact CD1-CG 3.92Å; Y396-L400 HydrophobicContact CE1-CD1 3.75Å; Y396-L400 HydrophobicContact CE1-CD2 4.08Å; Y396-L400 HydrophobicContact CE1-CG 3.89Å; Y396-L400 WeakPolarHBondContact O-CB 3.24Å; Y396-L400 WeakPolarHBondContact O-CG 3.38Å; Y396-L400 PolarHBondContact O-N 3.4Å
397	Q	94.3	Very high	91.4	Very high	103 Å²	103	81.6 Å²	81.6	48%	0.481	37%	0.373	S	S	.	.	H	α-helix	trans	-62.7	-42.8	172.9	-69.9	-75	12	0	0	111.9	H393 V394 K401	H393-Q397 PolarHBondContact CE1-NE2 3.19Å; H393-Q397 VanDerWaalsContact CE1-NE2 3.33Å; H393-Q397 PolarHBondContact NE2-NE2 3.4Å; H393-Q397 VanDerWaalsContact O-CG 3.25Å; H393-Q397 WeakPolarHBondContact O-CG 3.49Å; H393-Q397 PolarHBondContact O-N 3.42Å; V394-Q397 PolarHBondContact O-N 2.75Å; Q397-K401 WeakPolarHBondContact O-CB 3.31Å; Q397-K401 PolarHBondContact O-N 2.94Å; Q397-K401 VanDerWaalsContact O-N 3.08Å
398	Y	94.9	Very high	91.9	Very high	116 Å²	116	80.5 Å²	80.5	46%	0.455	37%	0.373	S	S	.	.	H	α-helix	trans	-62.4	-45.8	175.2	176.9	-97.7	0	0	0	112	V394 T395 K401 K402	V394-Y398 PolarHBondContact O-N 3.06Å; V394-Y398 VanDerWaalsContact O-N 3.08Å; T395-Y398 PolarHBondContact O-N 3.49Å; Y398-K401 PolarHBondContact O-N 3.4Å; Y398-K402 HydrophobicContact CE1-CG 4.13Å; Y398-K402 HydrophobicContact CE2-CG 4.35Å; Y398-K402 PolarHBondContact O-N 2.66Å; Y398-K402 WeakPolarHBondContact OH-CE 3.39Å
399	Y	95.1	Very high	92.2	Very high	22 Å²	22	80 Å²	80	9%	0.086	37%	0.373	C	S	.	.	H	α-helix	trans	-58.1	-51.1	175.5	175.6	-95.3	0	0	0	111.9	L366 E370 L373 T395 Y396 K401 K402 F403 I472	L366-Y399 HydrophobicContact CB-CE2 4.47Å; L366-Y399 HydrophobicContact CD2-CD2 3.57Å; L366-Y399 HydrophobicContact CD2-CE2 3.68Å; L366-Y399 HydrophobicContact CD2-CG 4.16Å; L366-Y399 WeakPolarHBondContact CD2-O 3.48Å; E370-Y399 HydrophobicContact CB-CD2 4.44Å; E370-Y399 HydrophobicContact CB-CE2 3.83Å; E370-Y399 HydrophobicContact CG-CE2 4.33Å; E370-Y399 PolarHBondContact OE2-OH 3.19Å; L373-Y399 HydrophobicContact CD1-CD1 4.35Å; L373-Y399 HydrophobicContact CD1-CD2 4.36Å; L373-Y399 HydrophobicContact CD1-CG 4Å; T395-Y399 WeakPolarHBondContact O-CB 3.33Å; T395-Y399 PolarHBondContact O-N 3.14Å; Y396-Y399 PolarHBondContact O-N 3.18Å; Y399-K401 VanDerWaalsContact C-N 3.33Å; Y399-K401 PolarHBondContact O-N 3.36Å; Y399-K402 PolarHBondContact O-N 2.85Å; Y399-K402 VanDerWaalsContact O-N 3.14Å; Y399-F403 WeakPolarHBondContact O-CB 3.45Å; Y399-F403 PolarHBondContact O-N 2.76Å; Y399-I472 WeakPolarHBondContact OH-CG2 3.34Å
400	L	94.9	Very high	92.3	Very high	70 Å²	70	72.9 Å²	72.9	37%	0.366	35%	0.352	S	S	.	.	H	α-helix	trans	-58.2	-42.9	178.6	-73.7	178.4	0	0	0	112.5	Y396 K402 F403 E404	Y396-L400 HydrophobicContact CD1-CD1 3.72Å; Y396-L400 HydrophobicContact CD1-CG 3.92Å; Y396-L400 HydrophobicContact CE1-CD1 3.75Å; Y396-L400 HydrophobicContact CE1-CD2 4.08Å; Y396-L400 HydrophobicContact CE1-CG 3.89Å; Y396-L400 WeakPolarHBondContact O-CB 3.24Å; Y396-L400 WeakPolarHBondContact O-CG 3.38Å; Y396-L400 PolarHBondContact O-N 3.4Å; L400-K402 VanDerWaalsContact C-N 3.34Å; L400-K402 PolarHBondContact O-N 3.3Å; L400-F403 WeakPolarHBondContact O-CB 3.47Å; L400-F403 PolarHBondContact O-N 3.11Å; L400-F403 VanDerWaalsContact O-N 3.15Å; L400-E404 PolarHBondContact O-N 3.42Å
401	K	94.2	Very high	92.4	Very high	154 Å²	154	72.7 Å²	72.7	67%	0.67	35%	0.35	S	S	*	.	H	α-helix	trans	-64.6	-36.3	177.5	-174.7	173	-178.4	175.7	0	112.7	Q397 Y398 Y399 H405	Q397-K401 WeakPolarHBondContact O-CB 3.31Å; Q397-K401 PolarHBondContact O-N 2.94Å; Q397-K401 VanDerWaalsContact O-N 3.08Å; Y398-K401 PolarHBondContact O-N 3.4Å; Y399-K401 VanDerWaalsContact C-N 3.33Å; Y399-K401 PolarHBondContact O-N 3.36Å; K401-H405 PolarHBondContact O-N 2.92Å
402	K	93.1	Very high	92.6	Very high	56 Å²	56	71.9 Å²	71.9	24%	0.243	35%	0.346	C	S	.	.	H	α-helix	trans	-72.1	-31.4	173	-73.5	-75.6	-177	162.1	0	112.1	V362 L366 Y398 Y399 L400 H405 F406	V362-K402 HydrophobicContact CG1-CB 4.4Å; V362-K402 HydrophobicContact CG1-CD 4.15Å; V362-K402 VanDerWaalsContact CG1-O 3.29Å; V362-K402 WeakPolarHBondContact CG1-O 3.48Å; V362-K402 HydrophobicContact CG2-CD 4.49Å; L366-K402 HydrophobicContact CD2-CB 3.76Å; L366-K402 HydrophobicContact CG-CB 3.94Å; Y398-K402 HydrophobicContact CE1-CG 4.13Å; Y398-K402 HydrophobicContact CE2-CG 4.35Å; Y398-K402 PolarHBondContact O-N 2.66Å; Y398-K402 WeakPolarHBondContact OH-CE 3.39Å; Y399-K402 PolarHBondContact O-N 2.85Å; Y399-K402 VanDerWaalsContact O-N 3.14Å; L400-K402 VanDerWaalsContact C-N 3.34Å; L400-K402 PolarHBondContact O-N 3.3Å; K402-H405 PolarHBondContact O-N 2.74Å; K402-F406 WeakPolarHBondContact O-CB 3.47Å; K402-F406 PolarHBondContact O-N 2.87Å
403	F	94.1	Very high	92.6	Very high	63 Å²	63	72.5 Å²	72.5	28%	0.276	35%	0.348	S	S	.	.	H	α-helix	trans	-72.1	-43.2	179.8	170.9	-130.2	0	0	0	112.2	L366 Y399 L400 H405 F406 L407 I472	L366-F403 HydrophobicContact CD2-CB 3.92Å; Y399-F403 WeakPolarHBondContact O-CB 3.45Å; Y399-F403 PolarHBondContact O-N 2.76Å; L400-F403 WeakPolarHBondContact O-CB 3.47Å; L400-F403 PolarHBondContact O-N 3.11Å; L400-F403 VanDerWaalsContact O-N 3.15Å; F403-H405 VanDerWaalsContact C-N 3.33Å; F403-H405 PolarHBondContact O-N 3.01Å; F403-F406 PolarHBondContact O-N 2.95Å; F403-L407 HydrophobicContact CD2-CD1 4.25Å; F403-L407 HydrophobicContact CD2-CG 4.01Å; F403-L407 HydrophobicContact CE1-CD1 4.12Å; F403-L407 HydrophobicContact CE2-CD1 3.59Å; F403-L407 HydrophobicContact CE2-CD2 3.85Å; F403-L407 HydrophobicContact CE2-CG 3.56Å; F403-L407 HydrophobicContact CZ-CD1 3.53Å; F403-L407 HydrophobicContact CZ-CD2 4.43Å; F403-L407 HydrophobicContact CZ-CG 4.07Å; F403-L407 PolarHBondContact O-N 3.19Å; F403-I472 HydrophobicContact CD2-CD1 3.46Å; F403-I472 VanDerWaalsContact CD2-CD1 3.46Å; F403-I472 HydrophobicContact CE2-CD1 3.32Å; F403-I472 HydrophobicContact CZ-CD1 4.41Å
404	E	94.8	Very high	92.6	Very high	122 Å²	122	73.3 Å²	73.3	57%	0.57	35%	0.352	S	S	*	.	H	α-helix	trans	-52.3	-51.8	169.3	176.4	-179.9	-152.7	0	0	111	L400 F406 L407 L408	L400-E404 PolarHBondContact O-N 3.42Å; E404-F406 PolarHBondContact O-N 3.05Å; E404-L407 PolarHBondContact O-N 2.81Å; E404-L408 HydrophobicContact CG-CD1 4.02Å; E404-L408 WeakPolarHBondContact O-CG 3.34Å; E404-L408 PolarHBondContact O-N 3.35Å; E404-L408 VanDerWaalsContact O-N 3.07Å
405	H	92.1	Very high	92.5	Very high	76 Å²	76	75.1 Å²	75.1	35%	0.352	35%	0.35	S	S	.	.	H	α-helix	trans	-61.5	-42.2	179.8	-161.4	98.4	0	0	0	112.6	E358 K401 K402 F403 N409	E358-H405 IonicContact OE1-CD2 3.53Å; E358-H405 IonicContact OE1-CE1 3.29Å; E358-H405 PolarHBondContact OE1-CE1 3.42Å; E358-H405 IonicContact OE1-NE2 2.72Å; E358-H405 PolarHBondContact OE1-NE2 2.87Å; K401-H405 PolarHBondContact O-N 2.92Å; K402-H405 PolarHBondContact O-N 2.74Å; F403-H405 VanDerWaalsContact C-N 3.33Å; F403-H405 PolarHBondContact O-N 3.01Å; H405-N409 PolarHBondContact NE2-ND2 3.19Å; H405-N409 VanDerWaalsContact NE2-ND2 3.18Å; H405-N409 WeakPolarHBondContact O-CB 3.37Å; H405-N409 PolarHBondContact O-N 3.14Å
406	F	92.4	Very high	92.5	Very high	26 Å²	26	74.9 Å²	74.9	11%	0.114	35%	0.348	C	S	.	.	H	α-helix	trans	-61	-46.7	175.4	175.6	-103.3	0	0	0	112.6	V359 V362 W363 L366 K402 F403 E404 G410 R470 I472	V359-F406 HydrophobicContact CG1-CD2 4.01Å; V359-F406 HydrophobicContact CG1-CE2 3.74Å; V362-F406 HydrophobicContact CG1-CB 3.9Å; W363-F406 HydrophobicContact CB-CE2 4.31Å; W363-F406 HydrophobicContact CD2-CE2 4.26Å; W363-F406 HydrophobicContact CD2-CZ 4.43Å; W363-F406 HydrophobicContact CE3-CD1 4.34Å; W363-F406 AromaticContact CE3-CD2 3.97Å; W363-F406 HydrophobicContact CE3-CD2 3.97Å; W363-F406 AromaticContact CE3-CE1 3.88Å; W363-F406 HydrophobicContact CE3-CE1 3.88Å; W363-F406 AromaticContact CE3-CE2 3.46Å; W363-F406 HydrophobicContact CE3-CE2 3.46Å; W363-F406 VanDerWaalsContact CE3-CE2 3.46Å; W363-F406 HydrophobicContact CE3-CG 4.39Å; W363-F406 AromaticContact CE3-CZ 3.41Å; W363-F406 HydrophobicContact CE3-CZ 3.41Å; W363-F406 VanDerWaalsContact CE3-CZ 3.41Å; W363-F406 HydrophobicContact CZ3-CD1 4.41Å; W363-F406 AromaticContact CZ3-CE1 3.8Å; W363-F406 HydrophobicContact CZ3-CE1 3.8Å; W363-F406 HydrophobicContact CZ3-CE2 4.23Å; W363-F406 AromaticContact CZ3-CZ 3.7Å; W363-F406 HydrophobicContact CZ3-CZ 3.7Å; L366-F406 HydrophobicContact CD1-CB 3.69Å; L366-F406 HydrophobicContact CD1-CD1 4.38Å; L366-F406 HydrophobicContact CD1-CG 3.95Å; K402-F406 WeakPolarHBondContact O-CB 3.47Å; K402-F406 PolarHBondContact O-N 2.87Å; F403-F406 PolarHBondContact O-N 2.95Å; E404-F406 PolarHBondContact O-N 3.05Å; F406-G410 PolarHBondContact O-N 3.26Å; F406-R470 HydrophobicContact CZ-CB 4.44Å; F406-I472 HydrophobicContact CD1-CD1 4.21Å; F406-I472 HydrophobicContact CE1-CD1 4.21Å
407	L	89.1	Confident	92.3	Very high	93 Å²	93	71.3 Å²	71.3	49%	0.487	34%	0.335	S	S	.	.	H	α-helix	trans	-63.4	-44.8	179.1	-74.2	-178.6	0	0	0	112.3	F403 E404 N411	F403-L407 HydrophobicContact CD2-CD1 4.25Å; F403-L407 HydrophobicContact CD2-CG 4.01Å; F403-L407 HydrophobicContact CE1-CD1 4.12Å; F403-L407 HydrophobicContact CE2-CD1 3.59Å; F403-L407 HydrophobicContact CE2-CD2 3.85Å; F403-L407 HydrophobicContact CE2-CG 3.56Å; F403-L407 HydrophobicContact CZ-CD1 3.53Å; F403-L407 HydrophobicContact CZ-CD2 4.43Å; F403-L407 HydrophobicContact CZ-CG 4.07Å; F403-L407 PolarHBondContact O-N 3.19Å; E404-L407 PolarHBondContact O-N 2.81Å; L407-N411 WeakPolarHBondContact O-CB 3.08Å; L407-N411 PolarHBondContact O-N 3.13Å
408	L	92.8	Very high	92.1	Very high	109 Å²	109	69.1 Å²	69.1	57%	0.571	34%	0.335	S	S	*	.	H	α-helix	trans	-67.5	-44	-178	-67.5	174.1	0	0	0	111.7	E404 L412	E404-L408 HydrophobicContact CG-CD1 4.02Å; E404-L408 WeakPolarHBondContact O-CG 3.34Å; E404-L408 PolarHBondContact O-N 3.35Å; E404-L408 VanDerWaalsContact O-N 3.07Å; L408-L412 PolarHBondContact O-N 3.23Å
409	N	91.2	Very high	92	Very high	23 Å²	23	70.4 Å²	70.4	12%	0.123	34%	0.339	C	S	.	.	H	α-helix	trans	-71.1	-38.1	176.7	-81.2	3.6	0	0	0	112.5	L355 E358 V359 H405 N411 L412 M413	L355-N409 HydrophobicContact CD1-CB 3.86Å; E358-N409 PolarHBondContact OE1-ND2 3.45Å; V359-N409 HydrophobicContact CG2-CB 3.66Å; H405-N409 PolarHBondContact NE2-ND2 3.19Å; H405-N409 VanDerWaalsContact NE2-ND2 3.18Å; H405-N409 WeakPolarHBondContact O-CB 3.37Å; H405-N409 PolarHBondContact O-N 3.14Å; N409-N411 PolarHBondContact O-N 3.48Å; N409-L412 WeakPolarHBondContact O-CB 3.41Å; N409-L412 PolarHBondContact O-N 3.35Å; N409-L412 VanDerWaalsContact O-N 3.15Å; N409-M413 WeakPolarHBondContact O-CB 3.41Å; N409-M413 PolarHBondContact O-N 3.36Å
410	G	88.4	Confident	91.8	Very high	17 Å²	17	69.8 Å²	69.8	18%	0.175	34%	0.338	C	S	.	.	H	α-helix	trans	-60.3	-44.7	173.5	0	0	0	0	0	112.1	F406 L412 M413 E414	F406-G410 PolarHBondContact O-N 3.26Å; G410-L412 VanDerWaalsContact C-N 3.3Å; G410-L412 PolarHBondContact O-N 3.39Å; G410-M413 WeakPolarHBondContact O-CB 3.29Å; G410-M413 PolarHBondContact O-N 3.48Å; G410-E414 WeakPolarHBondContact O-CG 3.17Å; G410-E414 PolarHBondContact O-N 2.92Å
411	N	90.8	Very high	91.5	Very high	88 Å²	88	69.3 Å²	69.3	47%	0.471	34%	0.344	S	S	.	.	H	α-helix	trans	-66.4	-28.4	174.4	179.2	-93.1	0	0	0	113.4	L407 N409 R415	L407-N411 WeakPolarHBondContact O-CB 3.08Å; L407-N411 PolarHBondContact O-N 3.13Å; N409-N411 PolarHBondContact O-N 3.48Å; N411-R415 WeakPolarHBondContact O-CB 3.49Å; N411-R415 WeakPolarHBondContact O-CG 3.37Å; N411-R415 PolarHBondContact O-N 3.43Å; N411-R415 PolarHBondContact O-NE 3.42Å; N411-R415 PolarHBondContact OD1-NE 3.14Å; N411-R415 PolarHBondContact OD1-NH2 2.82Å
412	L	92.1	Very high	91.3	Very high	40 Å²	40	64.8 Å²	64.8	21%	0.209	33%	0.332	C	S	.	.	H	α-helix	trans	-72.9	-39	171.2	176.8	62.6	0	0	0	111.6	L355 L408 N409 G410 R415 L416	L355-L412 HydrophobicContact CD1-CD2 4.33Å; L355-L412 HydrophobicContact CD2-CB 4.13Å; L355-L412 HydrophobicContact CD2-CD2 3.9Å; L355-L412 HydrophobicContact CD2-CG 3.77Å; L408-L412 PolarHBondContact O-N 3.23Å; N409-L412 WeakPolarHBondContact O-CB 3.41Å; N409-L412 PolarHBondContact O-N 3.35Å; N409-L412 VanDerWaalsContact O-N 3.15Å; G410-L412 VanDerWaalsContact C-N 3.3Å; G410-L412 PolarHBondContact O-N 3.39Å; L412-R415 PolarHBondContact O-N 3.3Å; L412-L416 HydrophobicContact CD1-CD1 4.02Å; L412-L416 HydrophobicContact CD1-CG 4.27Å; L412-L416 HydrophobicContact CG-CD1 4.02Å; L412-L416 WeakPolarHBondContact O-CB 3.45Å; L412-L416 VanDerWaalsContact O-CG 3.31Å; L412-L416 WeakPolarHBondContact O-CG 3.47Å; L412-L416 PolarHBondContact O-N 3.12Å; L412-L416 VanDerWaalsContact O-N 3.08Å
413	M	90.5	Very high	91.1	Very high	33 Å²	33	63 Å²	63	16%	0.163	33%	0.325	C	S	.	.	H	α-helix	trans	-61.5	-56.9	177.8	-165.2	-178.8	75.8	0	0	110.5	L352 L355 Q356 N409 G410 R415 L416 E417	L352-M413 HydrophobicContact CD2-CG 3.85Å; L355-M413 HydrophobicContact CD2-CB 3.91Å; L355-M413 HydrophobicContact CD2-CG 4.45Å; Q356-M413 HydrophobicContact CB-SD 4.38Å; N409-M413 WeakPolarHBondContact O-CB 3.41Å; N409-M413 PolarHBondContact O-N 3.36Å; G410-M413 WeakPolarHBondContact O-CB 3.29Å; G410-M413 PolarHBondContact O-N 3.48Å; M413-R415 VanDerWaalsContact C-N 3.3Å; M413-R415 PolarHBondContact O-N 3.45Å; M413-L416 CarbonylContact O-C 3.59Å; M413-L416 WeakPolarHBondContact O-CA 3.48Å; M413-L416 WeakPolarHBondContact O-CB 3.34Å; M413-L416 PolarHBondContact O-N 3.03Å; M413-E417 WeakPolarHBondContact CE-OE2 3.39Å; M413-E417 HydrophobicContact CG-CG 4.4Å; M413-E417 WeakPolarHBondContact CG-OE2 3.37Å; M413-E417 WeakPolarHBondContact O-CG 3.5Å; M413-E417 PolarHBondContact O-N 3.36Å
414	E	89.4	Confident	90.8	Very high	126 Å²	126	61.1 Å²	61.1	59%	0.589	32%	0.323	S	S	*	.	H	α-helix	trans	-51.6	-44.7	176.2	-70.7	-78.2	-179.1	0	0	112.6	G410 L416 E417 A418	G410-E414 WeakPolarHBondContact O-CG 3.17Å; G410-E414 PolarHBondContact O-N 2.92Å; E414-L416 VanDerWaalsContact C-N 3.28Å; E414-L416 PolarHBondContact O-N 3.42Å; E414-E417 PolarHBondContact O-N 3.25Å; E414-A418 WeakPolarHBondContact O-CB 3.49Å; E414-A418 PolarHBondContact O-N 3.38Å
415	R	93.1	Very high	90.4	Very high	124 Å²	124	60.5 Å²	60.5	47%	0.468	32%	0.32	S	S	.	.	H	α-helix	trans	-70.6	-19.3	177.8	-75.1	-176	-64.8	159.6	-2.9	114.3	N411 L412 M413 R419	N411-R415 WeakPolarHBondContact O-CB 3.49Å; N411-R415 WeakPolarHBondContact O-CG 3.37Å; N411-R415 PolarHBondContact O-N 3.43Å; N411-R415 PolarHBondContact O-NE 3.42Å; N411-R415 PolarHBondContact OD1-NE 3.14Å; N411-R415 PolarHBondContact OD1-NH2 2.82Å; L412-R415 PolarHBondContact O-N 3.3Å; M413-R415 VanDerWaalsContact C-N 3.3Å; M413-R415 PolarHBondContact O-N 3.45Å; R415-R419 WeakPolarHBondContact O-CD 3.39Å; R415-R419 VanDerWaalsContact O-CG 3.29Å; R415-R419 WeakPolarHBondContact O-CG 3.44Å
416	L	91.8	Very high	90.1	Very high	6 Å²	6	57.1 Å²	57.1	3%	0.031	31%	0.305	C	S	.	.	H	α-helix	trans	-89.5	-42.4	173	-75.8	172.8	0	0	0	110.4	I348 R351 L352 L355 L412 M413 E414 R419 S420	I348-L416 HydrophobicContact CG1-CD2 4.37Å; I348-L416 HydrophobicContact CG2-CB 4.11Å; I348-L416 HydrophobicContact CG2-CD2 4.26Å; I348-L416 WeakPolarHBondContact CG2-O 3.36Å; R351-L416 HydrophobicContact CG-CD1 4.13Å; L352-L416 HydrophobicContact CD1-CB 4.39Å; L352-L416 HydrophobicContact CD2-CB 3.56Å; L352-L416 HydrophobicContact CD2-CD1 4.43Å; L352-L416 HydrophobicContact CG-CB 4Å; L355-L416 HydrophobicContact CD2-CD1 4.26Å; L412-L416 HydrophobicContact CD1-CD1 4.02Å; L412-L416 HydrophobicContact CD1-CG 4.27Å; L412-L416 HydrophobicContact CG-CD1 4.02Å; L412-L416 WeakPolarHBondContact O-CB 3.45Å; L412-L416 VanDerWaalsContact O-CG 3.31Å; L412-L416 WeakPolarHBondContact O-CG 3.47Å; L412-L416 PolarHBondContact O-N 3.12Å; L412-L416 VanDerWaalsContact O-N 3.08Å; M413-L416 CarbonylContact O-C 3.59Å; M413-L416 WeakPolarHBondContact O-CA 3.48Å; M413-L416 WeakPolarHBondContact O-CB 3.34Å; M413-L416 PolarHBondContact O-N 3.03Å; E414-L416 VanDerWaalsContact C-N 3.28Å; E414-L416 PolarHBondContact O-N 3.42Å; L416-R419 PolarHBondContact O-N 3.17Å; L416-S420 PolarHBondContact O-N 3.38Å
417	E	90.3	Very high	89.7	Confident	30 Å²	30	56 Å²	56	14%	0.14	30%	0.3	C	S	.	.	H	α-helix	trans	-59.2	-49	175.2	-72.1	-178	97.9	0	0	111.6	L352 M413 E414 R419 S420 A421 R466	L352-E417 HydrophobicContact CD1-CG 3.84Å; L352-E417 HydrophobicContact CD2-CG 3.65Å; L352-E417 HydrophobicContact CG-CG 4.39Å; M413-E417 WeakPolarHBondContact CE-OE2 3.39Å; M413-E417 HydrophobicContact CG-CG 4.4Å; M413-E417 WeakPolarHBondContact CG-OE2 3.37Å; M413-E417 WeakPolarHBondContact O-CG 3.5Å; M413-E417 PolarHBondContact O-N 3.36Å; E414-E417 PolarHBondContact O-N 3.25Å; E417-R419 VanDerWaalsContact C-N 3.28Å; E417-R419 PolarHBondContact O-N 3.04Å; E417-S420 PolarHBondContact O-N 3.4Å; E417-S420 VanDerWaalsContact O-N 3.13Å; E417-A421 WeakPolarHBondContact O-CB 3.37Å; E417-A421 PolarHBondContact O-N 3.39Å; E417-R466 IonicContact OE1-CZ 2.66Å; E417-R466 IonicContact OE1-NE 2.68Å; E417-R466 PolarHBondContact OE1-NE 3.19Å; E417-R466 IonicContact OE1-NH2 2.66Å; E417-R466 PolarHBondContact OE1-NH2 3.33Å
418	A	89.9	Confident	89.3	Confident	58 Å²	58	53.9 Å²	53.9	48%	0.479	30%	0.301	S	S	.	.	H	α-helix	trans	-58.1	-39.8	176.8	0	0	0	0	0	112.3	E414 A421 S422	E414-A418 WeakPolarHBondContact O-CB 3.49Å; E414-A418 PolarHBondContact O-N 3.38Å; A418-A421 PolarHBondContact O-N 3.32Å; A418-S422 PolarHBondContact O-N 3.02Å; A418-S422 PolarHBondContact O-OG 3.06Å
419	R	91.3	Very high	88.6	Confident	143 Å²	143	54 Å²	54	54%	0.54	30%	0.297	S	S	.	.	H	α-helix	trans	-69.8	-39	176.1	-71.7	174.2	176.3	162.7	-6.7	112.3	I348 R415 L416 E417 A421 I423	I348-R419 HydrophobicContact CD1-CB 4.29Å; R415-R419 WeakPolarHBondContact O-CD 3.39Å; R415-R419 VanDerWaalsContact O-CG 3.29Å; R415-R419 WeakPolarHBondContact O-CG 3.44Å; L416-R419 PolarHBondContact O-N 3.17Å; E417-R419 VanDerWaalsContact C-N 3.28Å; E417-R419 PolarHBondContact O-N 3.04Å; R419-A421 VanDerWaalsContact C-N 3.33Å; R419-I423 WeakPolarHBondContact O-CB 3.49Å; R419-I423 WeakPolarHBondContact O-CD1 3.41Å; R419-I423 VanDerWaalsContact O-CG1 3.24Å; R419-I423 WeakPolarHBondContact O-CG1 3.37Å; R419-I423 PolarHBondContact O-N 3.37Å; R419-I423 VanDerWaalsContact O-N 3.13Å
420	S	91.3	Very high	87.6	Confident	9 Å²	9	55.1 Å²	55.1	6%	0.063	30%	0.302	C	S	.	.	H	α-helix	trans	-64.7	-40.4	175	-133.8	0	0	0	0	111	E349 L416 E417 I423 G424	E349-S420 WeakPolarHBondContact CG-OG 3.32Å; L416-S420 PolarHBondContact O-N 3.38Å; E417-S420 PolarHBondContact O-N 3.4Å; E417-S420 VanDerWaalsContact O-N 3.13Å; S420-I423 PolarHBondContact O-N 3.05Å; S420-G424 PolarHBondContact O-N 3.46Å
421	A	88.8	Confident	86.4	Confident	60 Å²	60	56.9 Å²	56.9	50%	0.496	32%	0.32	S	S	.	.	H	α-helix	trans	-63.6	-50.8	177.1	0	0	0	0	0	111.9	E417 A418 R419 I423 G424 E425	E417-A421 WeakPolarHBondContact O-CB 3.37Å; E417-A421 PolarHBondContact O-N 3.39Å; A418-A421 PolarHBondContact O-N 3.32Å; R419-A421 VanDerWaalsContact C-N 3.33Å; A421-I423 VanDerWaalsContact C-N 3.3Å; A421-I423 PolarHBondContact O-N 2.95Å; A421-G424 PolarHBondContact O-N 2.86Å; A421-E425 WeakPolarHBondContact O-CB 3.38Å; A421-E425 PolarHBondContact O-N 2.88Å
422	S	89.9	Confident	85.1	Confident	58 Å²	58	55.2 Å²	55.2	41%	0.406	31%	0.31	S	S	.	.	H	α-helix	trans	-62.7	-34.4	178	-56.7	0	0	0	0	113.3	A418 A426	A418-S422 PolarHBondContact O-N 3.02Å; A418-S422 PolarHBondContact O-OG 3.06Å; S422-A426 WeakPolarHBondContact O-CB 3.39Å; S422-A426 PolarHBondContact O-N 2.84Å; S422-A426 VanDerWaalsContact O-N 3.16Å
423	I	89.4	Confident	83.5	Confident	20 Å²	20	56.6 Å²	56.6	10%	0.103	32%	0.323	C	S	.	.	H	α-helix	trans	-72.4	-42.5	175	-66.9	168	0	0	0	111	L341 R344 Q345 I348 R419 S420 A421 A426 L427	L341-I423 HydrophobicContact CB-CG2 4.02Å; L341-I423 HydrophobicContact CD2-CG1 4.5Å; L341-I423 HydrophobicContact CD2-CG2 4.47Å; R344-I423 HydrophobicContact CG-CD1 4.27Å; Q345-I423 HydrophobicContact CB-CG2 3.93Å; I348-I423 HydrophobicContact CD1-CD1 4.08Å; R419-I423 WeakPolarHBondContact O-CB 3.49Å; R419-I423 WeakPolarHBondContact O-CD1 3.41Å; R419-I423 VanDerWaalsContact O-CG1 3.24Å; R419-I423 WeakPolarHBondContact O-CG1 3.37Å; R419-I423 PolarHBondContact O-N 3.37Å; R419-I423 VanDerWaalsContact O-N 3.13Å; S420-I423 PolarHBondContact O-N 3.05Å; A421-I423 VanDerWaalsContact C-N 3.3Å; A421-I423 PolarHBondContact O-N 2.95Å; I423-A426 PolarHBondContact O-N 3.2Å; I423-L427 HydrophobicContact CG2-CD1 3.8Å; I423-L427 HydrophobicContact CG2-CG 4.45Å; I423-L427 WeakPolarHBondContact O-CB 3.34Å; I423-L427 WeakPolarHBondContact O-CG 3.4Å; I423-L427 PolarHBondContact O-N 3.05Å
424	G	86.6	Confident	81.8	Confident	23 Å²	23	58.6 Å²	58.6	24%	0.237	33%	0.334	C	S	.	.	H	α-helix	trans	-67.5	-35.3	178.2	0	0	0	0	0	113.3	S420 A421 G428	S420-G424 PolarHBondContact O-N 3.46Å; A421-G424 PolarHBondContact O-N 2.86Å; G424-G428 WeakPolarHBondContact O-CA 3.24Å; G424-G428 PolarHBondContact O-N 3.16Å
425	E	86.9	Confident	79.9	Confident	109 Å²	109	61.4 Å²	61.4	51%	0.509	34%	0.344	S	S	.	.	H	α-helix	trans	-64.6	-48	171.8	-170.2	-161	135.8	0	0	110.7	A421 G428 K429	A421-E425 WeakPolarHBondContact O-CB 3.38Å; A421-E425 PolarHBondContact O-N 2.88Å; E425-G428 PolarHBondContact O-N 2.96Å; E425-G428 VanDerWaalsContact O-N 3.17Å; E425-K429 HydrophobicContact CG-CD 4.42Å; E425-K429 WeakPolarHBondContact O-CG 3.48Å; E425-K429 PolarHBondContact O-N 3.06Å; E425-K429 WeakPolarHBondContact OE1-CE 3.47Å; E425-K429 IonicContact OE1-NZ 2.69Å; E425-K429 PolarHBondContact OE1-NZ 2.84Å
426	A	85.9	Confident	77.4	Confident	5 Å²	5	60.1 Å²	60.1	4%	0.041	35%	0.354	C	S	.	.	H	α-helix	trans	-56.2	-53.1	175.7	0	0	0	0	0	111.2	V331 S422 I423 G428 H430	V331-A426 HydrophobicContact CB-CB 3.99Å; V331-A426 HydrophobicContact CG1-CB 3.87Å; V331-A426 WeakPolarHBondContact O-CB 3.4Å; S422-A426 WeakPolarHBondContact O-CB 3.39Å; S422-A426 PolarHBondContact O-N 2.84Å; S422-A426 VanDerWaalsContact O-N 3.16Å; I423-A426 PolarHBondContact O-N 3.2Å; A426-G428 VanDerWaalsContact C-N 3.27Å; A426-G428 PolarHBondContact O-N 3.4Å; A426-H430 WeakPolarHBondContact O-CB 3.26Å; A426-H430 PolarHBondContact O-CD2 2.96Å; A426-H430 PolarHBondContact O-N 3.39Å
427	L	84.4	Confident	74.9	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.005	39%	0.389	C	S	.	.	H	α-helix	trans	-62.9	-32.1	177.3	-69.3	167.6	0	0	0	112.8	L341 L342 I423 H430 G431 I432	L341-L427 HydrophobicContact CB-CD1 4.31Å; L341-L427 HydrophobicContact CB-CD2 4.38Å; L342-L427 HydrophobicContact CB-CD1 4.17Å; L342-L427 HydrophobicContact CD1-CD1 4.37Å; I423-L427 HydrophobicContact CG2-CD1 3.8Å; I423-L427 HydrophobicContact CG2-CG 4.45Å; I423-L427 WeakPolarHBondContact O-CB 3.34Å; I423-L427 WeakPolarHBondContact O-CG 3.4Å; I423-L427 PolarHBondContact O-N 3.05Å; L427-H430 CarbonylContact O-C 3.18Å; L427-H430 WeakPolarHBondContact O-CA 3.38Å; L427-H430 WeakPolarHBondContact O-CB 3.43Å; L427-H430 PolarHBondContact O-N 3.49Å; L427-G431 PolarHBondContact O-N 3.38Å; L427-G431 VanDerWaalsContact O-N 3.1Å; L427-I432 HydrophobicContact CD2-CB 4.37Å; L427-I432 HydrophobicContact CD2-CG2 4.41Å; L427-I432 PolarHBondContact O-N 2.76Å
428	G	80.8	Confident	72.2	Confident	49 Å²	49	67.9 Å²	67.9	51%	0.505	42%	0.418	S	S	.	.	H	α-helix	trans	-71.8	-48	179.2	0	0	0	0	0	114.1	G424 E425 A426 H430 G431	G424-G428 WeakPolarHBondContact O-CA 3.24Å; G424-G428 PolarHBondContact O-N 3.16Å; E425-G428 PolarHBondContact O-N 2.96Å; E425-G428 VanDerWaalsContact O-N 3.17Å; A426-G428 VanDerWaalsContact C-N 3.27Å; A426-G428 PolarHBondContact O-N 3.4Å; G428-H430 PolarHBondContact O-N 2.95Å; G428-G431 PolarHBondContact O-N 2.96Å
429	K	78.1	Confident	69.6	Low	111 Å²	111	72.3 Å²	72.3	48%	0.483	44%	0.439	S	S	.	.	H	α-helix	trans	-50	-27.8	167.7	-79.8	170.3	162.6	168.4	0	112.2	E330 E425	E330-K429 IonicContact OE1-NZ 2.69Å; E330-K429 PolarHBondContact OE1-NZ 3.29Å; E330-K429 IonicContact OE2-NZ 3.15Å; E330-K429 PolarHBondContact OE2-NZ 3Å; E425-K429 HydrophobicContact CG-CD 4.42Å; E425-K429 WeakPolarHBondContact O-CG 3.48Å; E425-K429 PolarHBondContact O-N 3.06Å; E425-K429 WeakPolarHBondContact OE1-CE 3.47Å; E425-K429 IonicContact OE1-NZ 2.69Å; E425-K429 PolarHBondContact OE1-NZ 2.84Å
430	H	69.1	Low	66.6	Low	48 Å²	48	68.9 Å²	68.9	22%	0.222	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	11.8	-173.3	-85.7	-49.7	0	0	0	113.7	A426 L427 G428 I432 S741 S742	A426-H430 WeakPolarHBondContact O-CB 3.26Å; A426-H430 PolarHBondContact O-CD2 2.96Å; A426-H430 PolarHBondContact O-N 3.39Å; L427-H430 CarbonylContact O-C 3.18Å; L427-H430 WeakPolarHBondContact O-CA 3.38Å; L427-H430 WeakPolarHBondContact O-CB 3.43Å; L427-H430 PolarHBondContact O-N 3.49Å; G428-H430 PolarHBondContact O-N 2.95Å; H430-I432 VanDerWaalsContact C-N 3.31Å; H430-I432 PolarHBondContact O-N 3.11Å; H430-S741 PolarHBondContact ND1-O 3.37Å; H430-S741 CarbonylContact O-C 3.54Å; H430-S741 WeakPolarHBondContact O-CA 3.46Å; H430-S741 VanDerWaalsContact O-CB 3.29Å; H430-S741 WeakPolarHBondContact O-CB 3.18Å; H430-S742 WeakPolarHBondContact CB-OG 3.44Å; H430-S742 PolarHBondContact ND1-N 2.88Å; H430-S742 PolarHBondContact O-N 3.34Å
431	G	64	Low	63.6	Low	54 Å²	54	74.4 Å²	74.4	56%	0.557	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	6.8	169.3	0	0	0	0	0	117	L427 G428	L427-G431 PolarHBondContact O-N 3.38Å; L427-G431 VanDerWaalsContact O-N 3.1Å; G428-G431 PolarHBondContact O-N 2.96Å
432	I	64.2	Low	60.8	Low	52 Å²	52	75.9 Å²	75.9	27%	0.267	50%	0.499	S	S	.	.			trans	-95.8	105.1	177.1	-64.5	-175.2	0	0	0	109.2	L342 L427 H430 S742 P743	L342-I432 HydrophobicContact CD2-CG2 4.19Å; L427-I432 HydrophobicContact CD2-CB 4.37Å; L427-I432 HydrophobicContact CD2-CG2 4.41Å; L427-I432 PolarHBondContact O-N 2.76Å; H430-I432 VanDerWaalsContact C-N 3.31Å; H430-I432 PolarHBondContact O-N 3.11Å; I432-S742 VanDerWaalsContact CD1-CB 3.4Å; I432-P743 HydrophobicContact CD1-CB 4.16Å
433	S	57	Low	57.7	Low	70 Å²	70	78 Å²	78	49%	0.49	51%	0.514	S	S	.	.			trans	-108.2	141.8	177.5	-172.2	0	0	0	0	111.7	K435 S436	S433-K435 PolarHBondContact O-N 2.66Å; S433-S436 PolarHBondContact O-N 3.38Å; S433-S436 PolarHBondContact O-OG 3.44Å
434	L	54.9	Low	54.7	Low	75 Å²	75	83.2 Å²	83.2	39%	0.393	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-52.2	-22.3	177.1	-106.4	77.6	0	0	0	114.5	L342 L346 S436	L342-L434 HydrophobicContact CD1-CD1 3.54Å; L342-L434 HydrophobicContact CD1-CG 4.35Å; L346-L434 HydrophobicContact CD2-CD2 3.78Å; L346-L434 HydrophobicContact CD2-CG 4.18Å; L434-S436 PolarHBondContact O-N 3.28Å
435	K	50.9	Low	52	Low	184 Å²	184	91.2 Å²	91.2	80%	0.8	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-71.7	-5.5	-172.4	-66.4	-179	178.8	174.8	0	115.2	S433	S433-K435 PolarHBondContact O-N 2.66Å
436	S	39.7	Very low	49.2	Very low	97 Å²	97	93.6 Å²	93.6	68%	0.678	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-90.3	-5.1	-176.4	58.9	0	0	0	0	115.2	S433 L434 S438	S433-S436 PolarHBondContact O-N 3.38Å; S433-S436 PolarHBondContact O-OG 3.44Å; L434-S436 PolarHBondContact O-N 3.28Å; S436-S438 PolarHBondContact O-N 2.88Å
437	A	38.7	Very low	46.3	Very low	92 Å²	92	96.8 Å²	96.8	76%	0.76	61%	0.61	S	S	*	*	S	Bend	trans	-92.6	12.6	-164.6	0	0	0	0	0	116.6
438	S	33.8	Very low	43.4	Very low	107 Å²	107	102.6 Å²	102.6	75%	0.748	65%	0.651	S	S	*	*			trans	-135.3	109.9	178.7	51.3	0	0	0	0	113.2	S436	S436-S438 PolarHBondContact O-N 2.88Å
439	V	36.3	Very low	40.6	Very low	151 Å²	151	108.5 Å²	108.5	92%	0.915	66%	0.663	S	S	*	*			trans	-133.4	128.4	175.2	176.8	0	0	0	0	109.8
440	G	27.5	Very low	38	Very low	72 Å²	72	108.1 Å²	108.1	74%	0.742	67%	0.671	S	S	*	*			trans	-177.5	104.5	175.6	0	0	0	0	0	114.7
441	S	29.6	Very low	36	Very low	124 Å²	124	111.5 Å²	111.5	87%	0.867	70%	0.695	S	S	*	*			trans	86.9	74.2	163.7	-147.4	0	0	0	0	120.6
442	A	28.4	Very low	34.1	Very low	91 Å²	91	117.5 Å²	117.5	75%	0.752	71%	0.708	S	S	*	*				62.3	137.4	119.1	0	0	0	0	0	124.7
443	S	25.6	Very low	32.3	Very low	104 Å²	104	123 Å²	123	73%	0.727	74%	0.738	S	S	*	*			trans	72.6	136.8	150.7	-77.9	0	0	0	0	121.4
444	E	27.3	Very low	30.9	Very low	129 Å²	129	123.7 Å²	123.7	60%	0.603	76%	0.757	S	S	*	*			cis	-169.1	146.2	-13.4	-125.1	-175	133.2	0	0	113.3
445	R	28.7	Very low	29.5	Very low	190 Å²	190	123.1 Å²	123.1	72%	0.717	77%	0.768	S	S	*	*			trans	64.5	149	156.3	-56.2	172.5	-158.1	167.3	15	119.1
446	N	27.6	Very low	28.4	Very low	160 Å²	160	119.2 Å²	119.2	86%	0.856	76%	0.764	S	S	*	*			cis	-165.7	150.5	-20.5	-107.1	-2.3	0	0	0	111
447	G	25	Very low	28	Very low	71 Å²	71	122.9 Å²	122.9	73%	0.732	77%	0.771	S	S	*	*			trans	103.4	106.5	167	0	0	0	0	0	114.7
448	S	23.7	Very low	27.6	Very low	123 Å²	123	124.8 Å²	124.8	86%	0.86	77%	0.768	S	S	*	*				83	118.7	73.5	-179.2	0	0	0	0	112
449	F	23	Very low	27.4	Very low	174 Å²	174	125.7 Å²	125.7	76%	0.763	76%	0.76	S	S	*	*			cis	-167.2	152.7	5	176.7	-112.8	0	0	0	109.5
450	T	23.9	Very low	27.2	Very low	103 Å²	103	124.1 Å²	124.1	63%	0.632	74%	0.743	S	S	*	*			trans	58.4	146.1	170.3	43.5	0	0	0	0	118.8
451	T	26	Very low	27.4	Very low	119 Å²	119	126.4 Å²	126.4	73%	0.73	74%	0.737	S	S	*	*			cis	-157	154	-20.7	6.1	0	0	0	0	109.3
452	E	25	Very low	27.5	Very low	180 Å²	180	126 Å²	126	84%	0.841	73%	0.725	S	S	*	*			trans	8	110	157.8	-59.6	177.2	172.3	0	0	119.6
453	N	26.5	Very low	27.6	Very low	167 Å²	167	126.2 Å²	126.2	89%	0.893	71%	0.71	S	S	*	*				-170.7	106	97.5	-132.6	-31.4	0	0	0	111.6
454	G	27.2	Very low	27.8	Very low	85 Å²	85	126.7 Å²	126.7	88%	0.876	70%	0.701	S	S	*	*			trans	-154.9	59.1	-170.9	0	0	0	0	0	113.9
455	G	25.5	Very low	28.1	Very low	62 Å²	62	129.8 Å²	129.8	64%	0.639	71%	0.707	S	S	*	*			trans	-124.2	-18.5	-169.1	0	0	0	0	0	118
456	S	27.5	Very low	28.8	Very low	103 Å²	103	128.5 Å²	128.5	72%	0.72	70%	0.702	S	S	*	*	S	Bend	trans	-93.4	-13.6	-158.1	-49.9	0	0	0	0	117.1	N458	S456-N458 PolarHBondContact O-N 3.43Å
457	Q	31.1	Very low	29.2	Very low	174 Å²	174	125.6 Å²	125.6	81%	0.813	69%	0.694	S	S	*	*	H	α-helix	trans	-76.9	-17.6	-171.4	-74.5	-173.7	-16.7	0	0	115.4
458	N	31.4	Very low	29.8	Very low	132 Å²	132	131.3 Å²	131.3	71%	0.706	70%	0.699	S	S	*	*	H	α-helix	trans	-96.8	-2.5	-177.3	-84.8	-50.5	0	0	0	115.3	S456	S456-N458 PolarHBondContact O-N 3.43Å
459	H	29.2	Very low	30.7	Very low	126 Å²	126	130.1 Å²	130.1	58%	0.583	70%	0.697	S	S	*	*	H	α-helix	trans	-89.4	-37.5	171.7	-111.6	-90.3	0	0	0	112.7	L461 L462 E463	H459-L461 VanDerWaalsContact C-N 3.29Å; H459-L461 PolarHBondContact O-N 3.01Å; H459-L462 PolarHBondContact O-N 3.49Å; H459-E463 IonicContact ND1-OE2 3.49Å; H459-E463 PolarHBondContact ND1-OE2 3.34Å; H459-E463 VanDerWaalsContact ND1-OE2 3.11Å; H459-E463 PolarHBondContact O-N 2.84Å; H459-E463 VanDerWaalsContact O-N 3.07Å
460	H	31.1	Very low	32.3	Very low	118 Å²	118	127.2 Å²	127.2	55%	0.546	68%	0.681	S	S	.	*	H	α-helix	trans	-53.6	-43.9	-174.8	-156.3	-82	0	0	0	112.9	L462 E463 E464	H460-L462 PolarHBondContact O-N 2.87Å; H460-E463 PolarHBondContact O-N 3.11Å; H460-E464 IonicContact CE1-OE1 2.84Å; H460-E464 IonicContact CE1-OE2 2.87Å; H460-E464 PolarHBondContact CE1-OE2 3.22Å; H460-E464 IonicContact CG-OE2 2.73Å; H460-E464 IonicContact ND1-OE1 2.85Å; H460-E464 IonicContact ND1-OE2 3.17Å; H460-E464 PolarHBondContact ND1-OE2 3.34Å; H460-E464 WeakPolarHBondContact O-CB 3.49Å; H460-E464 WeakPolarHBondContact O-CG 3.45Å; H460-E464 PolarHBondContact O-N 2.69Å
461	L	32	Very low	33.8	Very low	120 Å²	120	130.6 Å²	130.6	63%	0.628	68%	0.682	S	S	*	*	H	α-helix	trans	-66.9	-13.8	-179.3	-69.6	168.8	0	0	0	115	H459	H459-L461 VanDerWaalsContact C-N 3.29Å; H459-L461 PolarHBondContact O-N 3.01Å
462	L	32.3	Very low	35.1	Very low	115 Å²	115	127.6 Å²	127.6	60%	0.602	66%	0.661	S	S	*	*	H	α-helix	trans	-101.1	-37.8	173.2	-67.5	174.3	0	0	0	111.4	H459 H460 E464 R465	H459-L462 PolarHBondContact O-N 3.49Å; H460-L462 PolarHBondContact O-N 2.87Å; L462-E464 PolarHBondContact O-N 2.73Å; L462-R465 WeakPolarHBondContact O-CB 3.44Å; L462-R465 PolarHBondContact O-N 2.77Å
463	E	30.3	Very low	36.3	Very low	96 Å²	96	121.4 Å²	121.4	45%	0.449	65%	0.645	S	S	.	*	H	α-helix	trans	-60.9	-41.6	173.2	-119.6	62.8	-112.8	0	0	111.9	H459 H460 R465 R466	H459-E463 IonicContact ND1-OE2 3.49Å; H459-E463 PolarHBondContact ND1-OE2 3.34Å; H459-E463 VanDerWaalsContact ND1-OE2 3.11Å; H459-E463 PolarHBondContact O-N 2.84Å; H459-E463 VanDerWaalsContact O-N 3.07Å; H460-E463 PolarHBondContact O-N 3.11Å; E463-R465 PolarHBondContact O-N 2.94Å; E463-R465 VanDerWaalsContact O-N 3.1Å; E463-R466 PolarHBondContact O-N 2.69Å
464	E	30.5	Very low	37	Very low	114 Å²	114	114.4 Å²	114.4	53%	0.533	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.8	-18.5	177.7	-78.5	-178.7	109.4	0	0	114.3	H460 L462	H460-E464 IonicContact CE1-OE1 2.84Å; H460-E464 IonicContact CE1-OE2 2.87Å; H460-E464 PolarHBondContact CE1-OE2 3.22Å; H460-E464 IonicContact CG-OE2 2.73Å; H460-E464 IonicContact ND1-OE1 2.85Å; H460-E464 IonicContact ND1-OE2 3.17Å; H460-E464 PolarHBondContact ND1-OE2 3.34Å; H460-E464 WeakPolarHBondContact O-CB 3.49Å; H460-E464 WeakPolarHBondContact O-CG 3.45Å; H460-E464 PolarHBondContact O-N 2.69Å; L462-E464 PolarHBondContact O-N 2.73Å
465	R	33.4	Very low	37.7	Very low	194 Å²	194	116 Å²	116	73%	0.732	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-15.4	175.5	-99.3	179.5	155.3	-159.5	-8.7	113.9	L462 E463	L462-R465 WeakPolarHBondContact O-CB 3.44Å; L462-R465 PolarHBondContact O-N 2.77Å; E463-R465 PolarHBondContact O-N 2.94Å; E463-R465 VanDerWaalsContact O-N 3.1Å
466	R	42.8	Very low	38.2	Very low	163 Å²	163	119 Å²	119	62%	0.615	61%	0.606	S	S	*	*	S	Bend	trans	-93.6	-12.8	-173.4	-91.1	179.7	164.8	169.9	-5.3	115.6	E417 E463	E417-R466 IonicContact OE1-CZ 2.66Å; E417-R466 IonicContact OE1-NE 2.68Å; E417-R466 PolarHBondContact OE1-NE 3.19Å; E417-R466 IonicContact OE1-NH2 2.66Å; E417-R466 PolarHBondContact OE1-NH2 3.33Å; E463-R466 PolarHBondContact O-N 2.69Å
467	S	35	Very low	38.5	Very low	98 Å²	98	118.6 Å²	118.6	69%	0.685	60%	0.599	S	S	*	*	S	Bend	trans	-100.9	9.4	-162.7	55.6	0	0	0	0	117
468	K	38.6	Very low	38.7	Very low	191 Å²	191	115.2 Å²	115.2	83%	0.83	58%	0.582	S	S	*	*	S	Bend	trans	-110.5	92.1	169.1	-77.4	178.7	-178.8	167.8	0	111.5	R470	K468-R470 PolarHBondContact O-N 3.21Å
469	A	43.3	Very low	38.8	Very low	99 Å²	99	112.6 Å²	112.6	82%	0.818	57%	0.574	S	S	*	*			trans	-57.2	117.6	176	0	0	0	0	0	111.3	R471	A469-R471 PolarHBondContact O-N 3.47Å; A469-R471 VanDerWaalsContact O-N 3.1Å
470	R	56.5	Low	39	Very low	113 Å²	113	113.6 Å²	113.6	43%	0.426	59%	0.591	S	S	.	*			trans	-68.9	106.3	-173.8	-62.1	-170.4	-169.3	-155.7	4.7	110.7	D360 W363 F406 K468	D360-R470 IonicContact OD1-CZ 3.16Å; D360-R470 IonicContact OD1-NH1 2.75Å; D360-R470 PolarHBondContact OD1-NH1 3.46Å; D360-R470 IonicContact OD1-NH2 3.84Å; D360-R470 PolarHBondContact OD1-NH2 3.21Å; W363-R470 HydrophobicContact CD2-CB 4.21Å; W363-R470 HydrophobicContact CD2-CG 4.45Å; W363-R470 HydrophobicContact CE3-CB 4.14Å; W363-R470 HydrophobicContact CH2-CB 3.68Å; W363-R470 HydrophobicContact CZ2-CB 3.74Å; W363-R470 HydrophobicContact CZ2-CG 4.45Å; W363-R470 HydrophobicContact CZ3-CB 3.87Å; F406-R470 HydrophobicContact CZ-CB 4.44Å; K468-R470 PolarHBondContact O-N 3.21Å
471	R	53.9	Low	39.5	Very low	173 Å²	173	115.3 Å²	115.3	65%	0.653	60%	0.604	S	S	*	*			trans	-98.7	109.6	-171.6	-177	177.9	-70.2	-161.8	-0.1	111.5	A469 G474	A469-R471 PolarHBondContact O-N 3.47Å; A469-R471 VanDerWaalsContact O-N 3.1Å; R471-G474 WeakPolarHBondContact O-CA 3.32Å
472	I	53.4	Low	40.1	Very low	56 Å²	56	113.1 Å²	113.1	29%	0.287	59%	0.594	S	S	.	*	S	Bend	trans	-71.5	147.3	172.4	-63.6	175.7	0	0	0	110.6	W363 Y399 F403 F406	W363-I472 HydrophobicContact CH2-CG1 3.64Å; W363-I472 HydrophobicContact CZ3-CD1 4.06Å; W363-I472 HydrophobicContact CZ3-CG1 3.52Å; Y399-I472 WeakPolarHBondContact OH-CG2 3.34Å; F403-I472 HydrophobicContact CD2-CD1 3.46Å; F403-I472 VanDerWaalsContact CD2-CD1 3.46Å; F403-I472 HydrophobicContact CE2-CD1 3.32Å; F403-I472 HydrophobicContact CZ-CD1 4.41Å; F406-I472 HydrophobicContact CD1-CD1 4.21Å; F406-I472 HydrophobicContact CE1-CD1 4.21Å
473	G	50.7	Low	40.9	Very low	50 Å²	50	116.4 Å²	116.4	52%	0.515	60%	0.598	S	S	.	*	S	Bend	trans	68.8	29.2	-168.3	0	0	0	0	0	111.5	E370	E370-G473 WeakPolarHBondContact OE1-CA 3.44Å; E370-G473 PolarHBondContact OE1-N 3.48Å; E370-G473 VanDerWaalsContact OE1-N 3.13Å; E370-G473 PolarHBondContact OE2-N 3.49Å
474	G	41.5	Very low	41.9	Very low	21 Å²	21	117.6 Å²	117.6	22%	0.216	61%	0.614	C	S	.	*			trans	-114.8	78.8	-166.8	0	0	0	0	0	111.4	E370 R471 V476	E370-G474 PolarHBondContact OE1-N 3.45Å; R471-G474 WeakPolarHBondContact O-CA 3.32Å; G474-V476 PolarHBondContact O-N 2.83Å; G474-V476 VanDerWaalsContact O-N 3.14Å
475	I	40.9	Very low	43.3	Very low	118 Å²	118	117.1 Å²	117.1	61%	0.605	61%	0.607	S	S	*	*			trans	-49.9	125.2	148.2	-61.8	175.7	0	0	0	106	L374 T477	L374-I475 HydrophobicContact CD1-CD1 4.44Å; L374-I475 HydrophobicContact CD1-CG1 4.08Å; I475-T477 PolarHBondContact O-N 3.17Å
476	V	37.1	Very low	45.3	Very low	126 Å²	126	109 Å²	109	76%	0.764	58%	0.58	S	S	*	*			trans	-73.1	72.7	-170.5	-173.3	0	0	0	0	110.5	G474 K478	G474-V476 PolarHBondContact O-N 2.83Å; G474-V476 VanDerWaalsContact O-N 3.14Å; V476-K478 PolarHBondContact O-N 3.22Å
477	T	33.4	Very low	47.3	Very low	93 Å²	93	108 Å²	108	57%	0.571	58%	0.58	S	S	*	*			trans	-67.9	107	157.9	52.2	0	0	0	0	106.6	I475	I475-T477 PolarHBondContact O-N 3.17Å
478	K	36.1	Very low	49.8	Very low	104 Å²	104	103.7 Å²	103.7	45%	0.452	55%	0.549	S	S	.	.			trans	-56	156.6	167.6	-61.8	178.7	-176.8	175.4	0	109	V476 E546	V476-K478 PolarHBondContact O-N 3.22Å; K478-E546 IonicContact NZ-OE1 2.75Å; K478-E546 PolarHBondContact NZ-OE1 3.41Å
479	S	31.7	Very low	52.4	Low	77 Å²	77	94.8 Å²	94.8	54%	0.538	51%	0.51	S	S	.	.			trans	60.8	154.9	162.2	-14.4	0	0	0	0	118.9	D482	S479-D482 WeakPolarHBondContact CB-OD2 3.44Å; S479-D482 PolarHBondContact OG-OD2 2.92Å
480	P	34.3	Very low	54.5	Low	146 Å²	146	91.8 Å²	91.8	95%	0.948	49%	0.489	S	S	*	.	S	Bend	trans	-82.8	-12.6	164.1	-13.6	31	0	0	0	114.3
481	D	42	Very low	56	Low	154 Å²	154	86.5 Å²	86.5	82%	0.824	47%	0.47	S	S	*	.	S	Bend	trans	-88.8	-19.1	-172.2	-152.4	25.8	0	0	0	112.9	R483	D481-R483 PolarHBondContact O-N 3.29Å
482	D	44	Very low	57.8	Low	75 Å²	75	79.4 Å²	79.4	40%	0.401	45%	0.447	S	S	.	.			trans	-73.5	87	179.7	-72.7	-68.4	0	0	0	111.6	S479	S479-D482 WeakPolarHBondContact CB-OD2 3.44Å; S479-D482 PolarHBondContact OG-OD2 2.92Å
483	R	48.7	Very low	59.7	Low	184 Å²	184	77 Å²	77	69%	0.694	44%	0.435	S	S	*	.			trans	-48.7	133.6	133.2	-82.3	-172.8	-86.7	176.5	-3.7	106.2	D481 R485	D481-R483 PolarHBondContact O-N 3.29Å; R483-R485 PolarHBondContact O-N 2.92Å
484	P	51.9	Low	61.5	Low	120 Å²	120	77.6 Å²	77.6	78%	0.779	43%	0.426	S	S	*	.			trans	-59.2	105.2	-174.1	24.1	-33.6	0	0	0	109.4	P486	P484-P486 WeakPolarHBondContact O-CD 3.48Å; P484-P486 VanDerWaalsContact O-N 3.15Å
485	R	60.1	Low	63.6	Low	104 Å²	104	80.6 Å²	80.6	39%	0.392	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-50.2	122.7	180	-84.9	-174.5	165.5	-108.5	-5.2	107.9	R483 K487 Y496 T500 E502	R483-R485 PolarHBondContact O-N 2.92Å; R485-K487 PolarHBondContact O-N 3.41Å; R485-Y496 PolarHBondContact NH1-OH 3.45Å; R485-T500 HydrophobicContact CG-CG2 4.34Å; R485-E502 IonicContact CZ-OE1 2.7Å; R485-E502 VanDerWaalsContact CZ-OE1 3.23Å; R485-E502 IonicContact NH1-OE1 2.73Å; R485-E502 PolarHBondContact NH1-OE1 3.47Å; R485-E502 IonicContact NH1-OE2 3.63Å; R485-E502 IonicContact NH2-OE1 3.11Å; R485-E502 PolarHBondContact NH2-OE1 3.46Å
486	P	74.9	Confident	65.8	Low	25 Å²	25	75.5 Å²	75.5	16%	0.162	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-55.7	143.9	174.9	-27.2	37.5	0	0	0	109.3	P484 L488 E495 Y496 A499	P484-P486 WeakPolarHBondContact O-CD 3.48Å; P484-P486 VanDerWaalsContact O-N 3.15Å; P486-L488 PolarHBondContact O-N 3.46Å; P486-E495 HydrophobicContact CB-CB 4.43Å; P486-Y496 HydrophobicContact CB-CD2 4.49Å; P486-Y496 WeakPolarHBondContact O-CD2 3.49Å; P486-A499 HydrophobicContact CG-CB 3.46Å; P486-A499 VanDerWaalsContact CG-CB 3.46Å
487	K	84.4	Confident	68.2	Low	142 Å²	142	71 Å²	71	62%	0.617	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-53	128.7	-179	-70	-169.9	172.4	-167.1	0	110.3	R485 F489 G491	R485-K487 PolarHBondContact O-N 3.41Å; K487-F489 VanDerWaalsContact C-N 3.34Å; K487-G491 VanDerWaalsContact O-CA 3.29Å; K487-G491 WeakPolarHBondContact O-CA 3.43Å; K487-G491 PolarHBondContact O-N 3.06Å
488	L	88.4	Confident	70.5	Confident	7 Å²	7	74.4 Å²	74.4	4%	0.037	39%	0.39	C	S	.	.	S	Bend	trans	-72.5	-33.1	175.9	-174.3	63.6	0	0	0	110.8	P486 Y496 P505 L507 E543 Y568	P486-L488 PolarHBondContact O-N 3.46Å; L488-Y496 HydrophobicContact CB-CE2 4.33Å; L488-Y496 HydrophobicContact CD1-CD2 4.16Å; L488-Y496 HydrophobicContact CD1-CE2 3.73Å; L488-P505 HydrophobicContact CD1-CB 3.75Å; L488-P505 HydrophobicContact CD1-CG 4.36Å; L488-L507 HydrophobicContact CD2-CB 3.81Å; L488-L507 HydrophobicContact CD2-CD2 3.76Å; L488-L507 HydrophobicContact CD2-CG 4.43Å; L488-L507 HydrophobicContact CG-CD2 4.28Å; L488-E543 HydrophobicContact CB-CG 4.46Å; L488-E543 PolarHBondContact N-OE2 3.27Å; L488-Y568 HydrophobicContact CD1-CD2 4.07Å; L488-Y568 HydrophobicContact CD1-CE2 3.64Å; L488-Y568 HydrophobicContact CG-CD2 4.08Å; L488-Y568 HydrophobicContact CG-CE2 4.13Å; L488-Y568 VanDerWaalsContact O-CD2 3.31Å; L488-Y568 WeakPolarHBondContact O-CD2 3.44Å; L488-Y568 VanDerWaalsContact O-CE2 3.24Å; L488-Y568 WeakPolarHBondContact O-CE2 3.21Å
489	F	92.4	Very high	72.5	Confident	3 Å²	3	70.9 Å²	70.9	1%	0.013	38%	0.38	C	S	.	.	S	Bend	trans	-114.8	125.1	173.8	-55.8	-106.3	0	0	0	109.7	K487 L507 R539 E543 V564 L567 E571	K487-F489 VanDerWaalsContact C-N 3.34Å; F489-L507 HydrophobicContact CE1-CD2 4.21Å; F489-L507 HydrophobicContact CE2-CD2 3.94Å; F489-L507 HydrophobicContact CZ-CD2 3.43Å; F489-L507 VanDerWaalsContact CZ-CD2 3.43Å; F489-R539 HydrophobicContact CD1-CG 4.03Å; F489-R539 HydrophobicContact CD2-CG 3.64Å; F489-R539 HydrophobicContact CE1-CB 4.45Å; F489-R539 HydrophobicContact CE1-CG 3.89Å; F489-R539 HydrophobicContact CE2-CB 4.11Å; F489-R539 HydrophobicContact CE2-CG 3.49Å; F489-R539 VanDerWaalsContact CE2-CG 3.49Å; F489-R539 HydrophobicContact CG-CG 3.92Å; F489-R539 HydrophobicContact CZ-CB 3.97Å; F489-R539 HydrophobicContact CZ-CG 3.63Å; F489-E543 HydrophobicContact CD2-CG 3.69Å; F489-E543 HydrophobicContact CE2-CG 4.17Å; F489-E543 PolarHBondContact N-OE1 3.04Å; F489-V564 HydrophobicContact CE1-CG2 4.09Å; F489-V564 HydrophobicContact CZ-CG2 3.7Å; F489-L567 HydrophobicContact CD1-CD2 4.4Å; F489-L567 HydrophobicContact CD1-CG 4.16Å; F489-L567 HydrophobicContact CE1-CB 4.17Å; F489-L567 HydrophobicContact CE1-CD2 4.07Å; F489-L567 HydrophobicContact CE1-CG 4.01Å; F489-E571 HydrophobicContact CB-CB 4.44Å
490	G	88.2	Confident	74.9	Confident	37 Å²	37	69.1 Å²	69.1	38%	0.381	37%	0.366	S	S	.	.	S	Bend	trans	84	5.7	-170.9	0	0	0	0	0	114.6	E571	G490-E571 WeakPolarHBondContact CA-O 3.4Å; G490-E571 PolarHBondContact N-O 2.98Å
491	G	88.4	Confident	77.2	Confident	2 Å²	2	64.9 Å²	64.9	2%	0.021	35%	0.349	C	S	.	.	S	Bend	trans	-94.5	171.6	174.8	0	0	0	0	0	113.7	K487 R573	K487-G491 VanDerWaalsContact O-CA 3.29Å; K487-G491 WeakPolarHBondContact O-CA 3.43Å; K487-G491 PolarHBondContact O-N 3.06Å; G491-R573 VanDerWaalsContact O-CB 3.27Å; G491-R573 WeakPolarHBondContact O-CB 3.37Å; G491-R573 PolarHBondContact O-N 3.49Å
492	S	91.8	Very high	79.3	Confident	24 Å²	24	59.2 Å²	59.2	17%	0.168	32%	0.318	C	S	.	.			trans	-85.3	140.1	164.5	174.1	0	0	0	0	109.5	D494 Y496	S492-D494 VanDerWaalsContact C-N 3.31Å; S492-D494 PolarHBondContact OG-N 3.48Å; S492-Y496 PolarHBondContact O-N 3.41Å; S492-Y496 VanDerWaalsContact O-N 3.16Å
493	L	92	Very high	81.4	Confident	5 Å²	5	60.1 Å²	60.1	3%	0.026	32%	0.32	C	S	.	.	H	α-helix	trans	-60.8	-42.5	172.6	175	62	0	0	0	111.1	Y496 V497 P505 I576 L615	L493-Y496 PolarHBondContact O-N 3.02Å; L493-V497 HydrophobicContact CD1-CG2 3.86Å; L493-V497 HydrophobicContact CG-CG2 4.27Å; L493-V497 VanDerWaalsContact O-CG2 3.3Å; L493-V497 WeakPolarHBondContact O-CG2 3.33Å; L493-V497 PolarHBondContact O-N 3.09Å; L493-P505 HydrophobicContact CD1-CG 3.98Å; L493-I576 HydrophobicContact CD2-CD1 3.71Å; L493-L615 HydrophobicContact CD1-CD2 4.1Å; L493-L615 HydrophobicContact CD2-CB 4.26Å; L493-L615 HydrophobicContact CD2-CD2 3.62Å; L493-L615 HydrophobicContact CG-CD2 4.5Å
494	D	89.1	Confident	83.4	Confident	62 Å²	62	51.3 Å²	51.3	33%	0.332	29%	0.287	S	S	.	.	H	α-helix	trans	-65.6	-43.4	-176.6	-62.6	-35.7	0	0	0	111.8	S492 Y496 V497 E498 S611 H612	S492-D494 VanDerWaalsContact C-N 3.31Å; S492-D494 PolarHBondContact OG-N 3.48Å; D494-Y496 VanDerWaalsContact C-N 3.31Å; D494-Y496 PolarHBondContact O-N 2.91Å; D494-V497 PolarHBondContact O-N 2.85Å; D494-E498 WeakPolarHBondContact O-CB 3.42Å; D494-E498 PolarHBondContact O-N 3.09Å; D494-S611 WeakPolarHBondContact OD1-CB 3.26Å; D494-S611 PolarHBondContact OD1-OG 3.11Å; D494-H612 IonicContact OD1-CE1 3.68Å; D494-H612 PolarHBondContact OD1-CE1 3.27Å; D494-H612 IonicContact OD1-ND1 3.81Å; D494-H612 PolarHBondContact OD1-ND1 3.01Å; D494-H612 IonicContact OD2-CE1 2.74Å; D494-H612 PolarHBondContact OD2-CE1 2.73Å
495	E	85.8	Confident	85.4	Confident	85 Å²	85	45.6 Å²	45.6	40%	0.397	25%	0.249	S	C	.	.	H	α-helix	trans	-60.2	-42.1	173.8	-69.6	174.6	-178.7	0	0	111.5	P486 A499 R573	P486-E495 HydrophobicContact CB-CB 4.43Å; E495-A499 WeakPolarHBondContact O-CB 3.27Å; E495-A499 PolarHBondContact O-N 2.69Å; E495-R573 VanDerWaalsContact CD-NH1 3.27Å; E495-R573 IonicContact OE1-CZ 3.64Å; E495-R573 IonicContact OE1-NH1 2.71Å; E495-R573 PolarHBondContact OE1-NH1 3.24Å; E495-R573 IonicContact OE1-NH2 3.42Å; E495-R573 IonicContact OE2-CZ 3.94Å; E495-R573 IonicContact OE2-NH1 3.8Å; E495-R573 PolarHBondContact OE2-NH1 2.98Å; E495-R573 IonicContact OE2-NH2 3.75Å; E495-R573 PolarHBondContact OE2-NH2 3.5Å
496	Y	87.4	Confident	86.9	Confident	10 Å²	10	43.3 Å²	43.3	4%	0.039	25%	0.245	C	C	.	.	H	α-helix	trans	-63.8	-48.6	178.9	-174.7	-80	0	0	0	111.4	R485 P486 L488 S492 L493 D494 A499 T500 E502 P505	R485-Y496 PolarHBondContact NH1-OH 3.45Å; P486-Y496 HydrophobicContact CB-CD2 4.49Å; P486-Y496 WeakPolarHBondContact O-CD2 3.49Å; L488-Y496 HydrophobicContact CB-CE2 4.33Å; L488-Y496 HydrophobicContact CD1-CD2 4.16Å; L488-Y496 HydrophobicContact CD1-CE2 3.73Å; S492-Y496 PolarHBondContact O-N 3.41Å; S492-Y496 VanDerWaalsContact O-N 3.16Å; L493-Y496 PolarHBondContact O-N 3.02Å; D494-Y496 VanDerWaalsContact C-N 3.31Å; D494-Y496 PolarHBondContact O-N 2.91Å; Y496-A499 PolarHBondContact O-N 3.39Å; Y496-T500 HydrophobicContact CD1-CG2 4.28Å; Y496-T500 HydrophobicContact CD2-CG2 4.45Å; Y496-T500 HydrophobicContact CE1-CG2 3.98Å; Y496-T500 HydrophobicContact CE2-CG2 4.17Å; Y496-T500 HydrophobicContact CG-CG2 4.49Å; Y496-T500 WeakPolarHBondContact O-CB 3.21Å; Y496-T500 WeakPolarHBondContact O-CG2 3.39Å; Y496-T500 PolarHBondContact O-N 3.49Å; Y496-T500 PolarHBondContact O-OG1 3.03Å; Y496-E502 HydrophobicContact CE1-CB 4.05Å; Y496-E502 HydrophobicContact CE1-CG 4.5Å; Y496-E502 VanDerWaalsContact CE1-OE2 3.28Å; Y496-E502 WeakPolarHBondContact CE1-OE2 3.48Å; Y496-E502 VanDerWaalsContact OH-CD 3.31Å; Y496-E502 PolarHBondContact OH-OE1 3.24Å; Y496-E502 PolarHBondContact OH-OE2 3.46Å; Y496-P505 HydrophobicContact CD1-CB 4.13Å; Y496-P505 HydrophobicContact CD1-CG 3.71Å; Y496-P505 HydrophobicContact CE1-CB 3.6Å; Y496-P505 HydrophobicContact CE1-CG 3.72Å
497	V	86.7	Confident	87.8	Confident	32 Å²	32	42.2 Å²	42.2	19%	0.194	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-45.9	178.8	176	0	0	0	0	110.6	L493 D494 A499 G501 E502	L493-V497 HydrophobicContact CD1-CG2 3.86Å; L493-V497 HydrophobicContact CG-CG2 4.27Å; L493-V497 VanDerWaalsContact O-CG2 3.3Å; L493-V497 WeakPolarHBondContact O-CG2 3.33Å; L493-V497 PolarHBondContact O-N 3.09Å; D494-V497 PolarHBondContact O-N 2.85Å; V497-A499 PolarHBondContact O-N 2.75Å; V497-G501 WeakPolarHBondContact O-CA 3.39Å; V497-G501 PolarHBondContact O-N 2.85Å; V497-E502 WeakPolarHBondContact CG2-O 3.4Å
498	E	83.1	Confident	88.4	Confident	164 Å²	164	35.4 Å²	35.4	77%	0.766	21%	0.208	S	C	*	.	H	α-helix	trans	-64.3	-38.9	179.2	-174.3	179.8	-166.4	0	0	112.7	D494	D494-E498 WeakPolarHBondContact O-CB 3.42Å; D494-E498 PolarHBondContact O-N 3.09Å
499	A	76.9	Confident	88.6	Confident	31 Å²	31	38.3 Å²	38.3	26%	0.256	22%	0.221	S	C	.	.	H	α-helix	trans	-79	-34.2	-177.6	0	0	0	0	0	113.9	P486 E495 Y496 V497	P486-A499 HydrophobicContact CG-CB 3.46Å; P486-A499 VanDerWaalsContact CG-CB 3.46Å; E495-A499 WeakPolarHBondContact O-CB 3.27Å; E495-A499 PolarHBondContact O-N 2.69Å; Y496-A499 PolarHBondContact O-N 3.39Å; V497-A499 PolarHBondContact O-N 2.75Å
500	T	81.6	Confident	88.6	Confident	39 Å²	39	39 Å²	39	24%	0.239	23%	0.227	C	C	.	.	H	α-helix	trans	-98.4	-28.6	-174.9	62.2	0	0	0	0	114	R485 Y496 E502	R485-T500 HydrophobicContact CG-CG2 4.34Å; Y496-T500 HydrophobicContact CD1-CG2 4.28Å; Y496-T500 HydrophobicContact CD2-CG2 4.45Å; Y496-T500 HydrophobicContact CE1-CG2 3.98Å; Y496-T500 HydrophobicContact CE2-CG2 4.17Å; Y496-T500 HydrophobicContact CG-CG2 4.49Å; Y496-T500 WeakPolarHBondContact O-CB 3.21Å; Y496-T500 WeakPolarHBondContact O-CG2 3.39Å; Y496-T500 PolarHBondContact O-N 3.49Å; Y496-T500 PolarHBondContact O-OG1 3.03Å; T500-E502 PolarHBondContact O-N 2.87Å; T500-E502 WeakPolarHBondContact OG1-CB 3.45Å; T500-E502 PolarHBondContact OG1-N 3.42Å; T500-E502 VanDerWaalsContact OG1-N 3.11Å
501	G	84	Confident	89	Confident	58 Å²	58	37.3 Å²	37.3	60%	0.598	21%	0.208	S	C	*	.			trans	75.7	2.3	-166.7	0	0	0	0	0	114.4	V497 E503	V497-G501 WeakPolarHBondContact O-CA 3.39Å; V497-G501 PolarHBondContact O-N 2.85Å; G501-E503 PolarHBondContact O-N 3.09Å
502	E	86.2	Confident	89.3	Confident	34 Å²	34	37.2 Å²	37.2	16%	0.159	21%	0.207	C	C	.	.			trans	-75.3	100.6	174	-66.9	172	-151.2	0	0	109.4	R485 Y496 V497 T500 I504 L506	R485-E502 IonicContact CZ-OE1 2.7Å; R485-E502 VanDerWaalsContact CZ-OE1 3.23Å; R485-E502 IonicContact NH1-OE1 2.73Å; R485-E502 PolarHBondContact NH1-OE1 3.47Å; R485-E502 IonicContact NH1-OE2 3.63Å; R485-E502 IonicContact NH2-OE1 3.11Å; R485-E502 PolarHBondContact NH2-OE1 3.46Å; Y496-E502 HydrophobicContact CE1-CB 4.05Å; Y496-E502 HydrophobicContact CE1-CG 4.5Å; Y496-E502 VanDerWaalsContact CE1-OE2 3.28Å; Y496-E502 WeakPolarHBondContact CE1-OE2 3.48Å; Y496-E502 VanDerWaalsContact OH-CD 3.31Å; Y496-E502 PolarHBondContact OH-OE1 3.24Å; Y496-E502 PolarHBondContact OH-OE2 3.46Å; V497-E502 WeakPolarHBondContact CG2-O 3.4Å; T500-E502 PolarHBondContact O-N 2.87Å; T500-E502 WeakPolarHBondContact OG1-CB 3.45Å; T500-E502 PolarHBondContact OG1-N 3.42Å; T500-E502 VanDerWaalsContact OG1-N 3.11Å; E502-I504 PolarHBondContact O-N 2.9Å; E502-I504 VanDerWaalsContact O-N 3.1Å; E502-L506 PolarHBondContact OE2-N 2.78Å
503	E	87.3	Confident	89.3	Confident	94 Å²	94	38.8 Å²	38.8	44%	0.439	22%	0.222	S	C	.	.	S	Bend	trans	-54.5	-30.6	180	-63.1	-178.5	113.8	0	0	113.6	G501 L614 G685 P686	G501-E503 PolarHBondContact O-N 3.09Å; E503-L614 HydrophobicContact CB-CD1 4.35Å; E503-G685 WeakPolarHBondContact OE1-CA 3.39Å; E503-P686 HydrophobicContact CB-CG 3.99Å; E503-P686 WeakPolarHBondContact OE2-CD 3.39Å
504	I	91.5	Very high	89.4	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-136	129.4	168.6	-65	-176.1	0	0	0	106.4	E502 V508 Q509 L614 L615 F618 P686	E502-I504 PolarHBondContact O-N 2.9Å; E502-I504 VanDerWaalsContact O-N 3.1Å; I504-V508 HydrophobicContact CG2-CB 4.04Å; I504-V508 HydrophobicContact CG2-CG1 4.1Å; I504-Q509 HydrophobicContact CB-CG 4.22Å; I504-Q509 HydrophobicContact CG2-CG 3.86Å; I504-Q509 PolarHBondContact O-NE2 3.3Å; I504-L614 HydrophobicContact CD1-CB 4.3Å; I504-L614 HydrophobicContact CG1-CB 4.22Å; I504-L615 HydrophobicContact CG2-CD1 3.94Å; I504-F618 HydrophobicContact CD1-CB 3.5Å; I504-F618 HydrophobicContact CD1-CD2 3.97Å; I504-F618 HydrophobicContact CD1-CG 3.77Å; I504-P686 HydrophobicContact CB-CG 4.35Å; I504-P686 HydrophobicContact CD1-CB 4.05Å; I504-P686 HydrophobicContact CD1-CG 4.11Å; I504-P686 HydrophobicContact CG1-CG 4.06Å
505	P	93.6	Very high	89.7	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.207	C	C	.	.			trans	-59.8	141.4	-175.4	-27.7	36.8	0	0	0	113.9	L488 L493 Y496 L507 V508 Q509	L488-P505 HydrophobicContact CD1-CB 3.75Å; L488-P505 HydrophobicContact CD1-CG 4.36Å; L493-P505 HydrophobicContact CD1-CG 3.98Å; Y496-P505 HydrophobicContact CD1-CB 4.13Å; Y496-P505 HydrophobicContact CD1-CG 3.71Å; Y496-P505 HydrophobicContact CE1-CB 3.6Å; Y496-P505 HydrophobicContact CE1-CG 3.72Å; P505-L507 VanDerWaalsContact C-N 3.27Å; P505-L507 PolarHBondContact O-N 2.63Å; P505-L507 VanDerWaalsContact O-N 3.14Å; P505-V508 PolarHBondContact O-N 2.83Å; P505-Q509 PolarHBondContact O-N 2.92Å
506	L	91.6	Very high	90	Very high	56 Å²	56	33 Å²	33	29%	0.293	20%	0.195	S	C	.	.	H	α-helix	trans	-51.4	-40.7	-174.9	-176.6	59.1	0	0	0	113.8	E502 V508 Q509 S510 D547	E502-L506 PolarHBondContact OE2-N 2.78Å; L506-V508 VanDerWaalsContact C-N 3.27Å; L506-V508 PolarHBondContact O-N 2.99Å; L506-Q509 PolarHBondContact O-N 2.85Å; L506-S510 WeakPolarHBondContact CD1-OG 3.29Å; L506-S510 PolarHBondContact O-N 2.97Å; L506-S510 PolarHBondContact O-OG 2.92Å; L506-D547 HydrophobicContact CD2-CB 4.07Å
507	L	94.5	Very high	90	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-51.4	-43.9	174.6	167.2	64	0	0	0	112.7	L488 F489 P505 A511 Y542 F549 V564 Y568	L488-L507 HydrophobicContact CD2-CB 3.81Å; L488-L507 HydrophobicContact CD2-CD2 3.76Å; L488-L507 HydrophobicContact CD2-CG 4.43Å; L488-L507 HydrophobicContact CG-CD2 4.28Å; F489-L507 HydrophobicContact CE1-CD2 4.21Å; F489-L507 HydrophobicContact CE2-CD2 3.94Å; F489-L507 HydrophobicContact CZ-CD2 3.43Å; F489-L507 VanDerWaalsContact CZ-CD2 3.43Å; P505-L507 VanDerWaalsContact C-N 3.27Å; P505-L507 PolarHBondContact O-N 2.63Å; P505-L507 VanDerWaalsContact O-N 3.14Å; L507-A511 WeakPolarHBondContact O-CB 3.28Å; L507-A511 PolarHBondContact O-N 3.07Å; L507-Y542 HydrophobicContact CB-CD1 3.8Å; L507-Y542 HydrophobicContact CB-CD2 4.45Å; L507-Y542 HydrophobicContact CB-CE1 4.36Å; L507-Y542 HydrophobicContact CB-CG 3.87Å; L507-Y542 HydrophobicContact CD1-CD1 4.31Å; L507-Y542 HydrophobicContact CD1-CD2 3.48Å; L507-Y542 VanDerWaalsContact CD1-CD2 3.48Å; L507-Y542 HydrophobicContact CD1-CE2 3.8Å; L507-Y542 HydrophobicContact CD1-CG 3.79Å; L507-Y542 HydrophobicContact CG-CD2 4.48Å; L507-Y542 HydrophobicContact CG-CG 4.33Å; L507-F549 HydrophobicContact CD1-CE2 4.06Å; L507-V564 HydrophobicContact CD1-CG1 4.26Å; L507-V564 HydrophobicContact CD1-CG2 4.29Å; L507-Y568 HydrophobicContact CD2-CD2 4.12Å; L507-Y568 HydrophobicContact CD2-CG 3.99Å
508	V	95.4	Very high	90.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-72.9	-42.4	-176.9	177.8	0	0	0	0	110.3	I504 P505 L506 I512 L565 Y568 L615 F618	I504-V508 HydrophobicContact CG2-CB 4.04Å; I504-V508 HydrophobicContact CG2-CG1 4.1Å; P505-V508 PolarHBondContact O-N 2.83Å; L506-V508 VanDerWaalsContact C-N 3.27Å; L506-V508 PolarHBondContact O-N 2.99Å; V508-I512 HydrophobicContact CG1-CD1 3.8Å; V508-I512 VanDerWaalsContact O-CB 3.29Å; V508-I512 WeakPolarHBondContact O-CB 3.45Å; V508-I512 WeakPolarHBondContact O-CG1 3.08Å; V508-I512 PolarHBondContact O-N 2.83Å; V508-I512 VanDerWaalsContact O-N 3.08Å; V508-L565 HydrophobicContact CB-CD1 4.35Å; V508-L565 HydrophobicContact CG1-CD1 4.16Å; V508-L565 HydrophobicContact CG2-CD1 4.09Å; V508-Y568 HydrophobicContact CG2-CD1 3.6Å; V508-Y568 HydrophobicContact CG2-CE1 3.48Å; V508-Y568 VanDerWaalsContact CG2-CE1 3.48Å; V508-L615 HydrophobicContact CB-CD1 4.17Å; V508-L615 HydrophobicContact CG1-CD1 3.72Å; V508-L615 HydrophobicContact CG2-CD1 3.95Å; V508-F618 HydrophobicContact CG1-CD1 4.31Å
509	Q	93.2	Very high	90.6	Very high	68 Å²	68	32.6 Å²	32.6	32%	0.318	18%	0.184	S	C	.	.	H	α-helix	trans	-61.6	-54.7	177.8	-58.9	-165	42.9	0	0	111	I504 P505 L506 I512 A513	I504-Q509 HydrophobicContact CB-CG 4.22Å; I504-Q509 HydrophobicContact CG2-CG 3.86Å; I504-Q509 PolarHBondContact O-NE2 3.3Å; P505-Q509 PolarHBondContact O-N 2.92Å; L506-Q509 PolarHBondContact O-N 2.85Å; Q509-I512 PolarHBondContact O-N 3.48Å; Q509-A513 VanDerWaalsContact O-CB 3.32Å; Q509-A513 WeakPolarHBondContact O-CB 3.39Å; Q509-A513 PolarHBondContact O-N 3.13Å
510	S	93.3	Very high	91.4	Very high	18 Å²	18	32 Å²	32	13%	0.126	18%	0.176	C	C	.	.	H	α-helix	trans	-70.7	-35.2	-175.5	-55.6	0	0	0	0	112.7	L506 Y514 D547	L506-S510 WeakPolarHBondContact CD1-OG 3.29Å; L506-S510 PolarHBondContact O-N 2.97Å; L506-S510 PolarHBondContact O-OG 2.92Å; S510-Y514 VanDerWaalsContact O-CB 3.24Å; S510-Y514 WeakPolarHBondContact O-CB 3.3Å; S510-Y514 PolarHBondContact O-N 2.86Å; S510-D547 WeakPolarHBondContact CB-OD1 3.41Å; S510-D547 WeakPolarHBondContact CB-OD2 3.4Å; S510-D547 PolarHBondContact OG-OD1 3.37Å; S510-D547 PolarHBondContact OG-OD2 3.36Å
511	A	95.1	Very high	91.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.2	-45	173.6	0	0	0	0	0	112.2	L507 Y514 L515 F549 L565	L507-A511 WeakPolarHBondContact O-CB 3.28Å; L507-A511 PolarHBondContact O-N 3.07Å; A511-Y514 PolarHBondContact O-N 3.17Å; A511-L515 WeakPolarHBondContact O-CB 3.17Å; A511-L515 VanDerWaalsContact O-CG 3.24Å; A511-L515 WeakPolarHBondContact O-CG 3.37Å; A511-L515 PolarHBondContact O-N 2.75Å; A511-F549 HydrophobicContact CB-CD2 3.84Å; A511-F549 HydrophobicContact CB-CE2 3.61Å; A511-F549 HydrophobicContact CB-CZ 4.46Å; A511-L565 HydrophobicContact CB-CB 4.42Å; A511-L565 HydrophobicContact CB-CD1 4.42Å
512	I	95.4	Very high	92.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-68.6	-39.4	178.6	-75.8	174.9	0	0	0	110.9	V508 Q509 S516 L565 F618 L619 F622 Y688	V508-I512 HydrophobicContact CG1-CD1 3.8Å; V508-I512 VanDerWaalsContact O-CB 3.29Å; V508-I512 WeakPolarHBondContact O-CB 3.45Å; V508-I512 WeakPolarHBondContact O-CG1 3.08Å; V508-I512 PolarHBondContact O-N 2.83Å; V508-I512 VanDerWaalsContact O-N 3.08Å; Q509-I512 PolarHBondContact O-N 3.48Å; I512-S516 WeakPolarHBondContact O-CB 3.39Å; I512-S516 PolarHBondContact O-N 3.01Å; I512-L565 HydrophobicContact CD1-CD2 4.27Å; I512-L565 HydrophobicContact CG1-CD2 3.73Å; I512-F618 HydrophobicContact CB-CE1 3.95Å; I512-F618 HydrophobicContact CD1-CD1 3.77Å; I512-F618 HydrophobicContact CD1-CE1 3.9Å; I512-F618 HydrophobicContact CG2-CD1 4.47Å; I512-F618 HydrophobicContact CG2-CE1 3.77Å; I512-F618 HydrophobicContact CG2-CZ 4.39Å; I512-L619 HydrophobicContact CD1-CD1 4.38Å; I512-F622 HydrophobicContact CB-CG 4.45Å; I512-F622 HydrophobicContact CD1-CB 4.3Å; I512-F622 HydrophobicContact CD1-CD1 4.19Å; I512-F622 HydrophobicContact CD1-CG 4.36Å; I512-F622 HydrophobicContact CG1-CD1 3.97Å; I512-F622 HydrophobicContact CG1-CE1 4.37Å; I512-F622 HydrophobicContact CG1-CG 4.16Å; I512-F622 HydrophobicContact CG2-CB 3.75Å; I512-F622 HydrophobicContact CG2-CD1 4.32Å; I512-F622 HydrophobicContact CG2-CD2 3.7Å; I512-F622 HydrophobicContact CG2-CE2 4.42Å; I512-F622 HydrophobicContact CG2-CG 3.64Å; I512-Y688 HydrophobicContact CG2-CD2 3.72Å; I512-Y688 HydrophobicContact CG2-CE2 3.65Å
513	A	92.2	Very high	92.5	Very high	58 Å²	58	41.6 Å²	41.6	48%	0.479	20%	0.198	S	C	.	.	H	α-helix	trans	-61.1	-46.7	174.4	0	0	0	0	0	111.9	Q509 S516 R517	Q509-A513 VanDerWaalsContact O-CB 3.32Å; Q509-A513 WeakPolarHBondContact O-CB 3.39Å; Q509-A513 PolarHBondContact O-N 3.13Å; A513-S516 PolarHBondContact O-N 3.44Å; A513-R517 VanDerWaalsContact O-CB 3.22Å; A513-R517 WeakPolarHBondContact O-CB 3.45Å; A513-R517 PolarHBondContact O-N 2.9Å
514	Y	93.7	Very high	92.7	Very high	7 Å²	7	37.1 Å²	37.1	3%	0.027	18%	0.177	C	C	.	.	H	α-helix	trans	-60.5	-50.6	176.1	171.1	-102.5	0	0	0	112.5	S510 A511 S516 R517 Y518 F549 L552 D554 D557 A561	S510-Y514 VanDerWaalsContact O-CB 3.24Å; S510-Y514 WeakPolarHBondContact O-CB 3.3Å; S510-Y514 PolarHBondContact O-N 2.86Å; A511-Y514 PolarHBondContact O-N 3.17Å; Y514-S516 PolarHBondContact O-N 3.27Å; Y514-R517 PolarHBondContact O-N 3.47Å; Y514-R517 VanDerWaalsContact O-N 3.16Å; Y514-Y518 AromaticContact CD2-CD2 3.53Å; Y514-Y518 HydrophobicContact CD2-CD2 3.53Å; Y514-Y518 AromaticContact CD2-CE2 3.86Å; Y514-Y518 HydrophobicContact CD2-CE2 3.86Å; Y514-Y518 AromaticContact CE2-CD2 3.53Å; Y514-Y518 HydrophobicContact CE2-CD2 3.53Å; Y514-Y518 HydrophobicContact CE2-CE2 4.02Å; Y514-Y518 HydrophobicContact CG-CD2 4.45Å; Y514-Y518 PolarHBondContact O-N 2.95Å; Y514-F549 HydrophobicContact CD1-CD1 4.07Å; Y514-F549 HydrophobicContact CD1-CE1 4.47Å; Y514-F549 HydrophobicContact CG-CB 4.41Å; Y514-F549 HydrophobicContact CG-CD1 4.18Å; Y514-F549 HydrophobicContact CG-CG 4.47Å; Y514-L552 HydrophobicContact CD2-CB 3.85Å; Y514-L552 HydrophobicContact CD2-CD1 4.31Å; Y514-L552 HydrophobicContact CE1-CD1 4.31Å; Y514-L552 HydrophobicContact CE2-CB 3.4Å; Y514-L552 VanDerWaalsContact CE2-CB 3.4Å; Y514-L552 HydrophobicContact CE2-CD1 3.77Å; Y514-L552 HydrophobicContact CE2-CG 4.23Å; Y514-D554 WeakPolarHBondContact CE2-O 3.35Å; Y514-D554 VanDerWaalsContact CZ-O 3.28Å; Y514-D554 PolarHBondContact OH-O 3.02Å; Y514-D557 PolarHBondContact OH-N 3.31Å; Y514-A561 HydrophobicContact CD1-CB 3.73Å; Y514-A561 HydrophobicContact CE1-CB 3.74Å
515	L	94.6	Very high	92.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.1	-40.1	178.7	-69.8	176.4	0	0	0	112.1	A511 R517 S519 L520 L525 F526 A558 A561 A562 L565 F622	A511-L515 WeakPolarHBondContact O-CB 3.17Å; A511-L515 VanDerWaalsContact O-CG 3.24Å; A511-L515 WeakPolarHBondContact O-CG 3.37Å; A511-L515 PolarHBondContact O-N 2.75Å; L515-R517 VanDerWaalsContact C-N 3.26Å; L515-R517 PolarHBondContact O-N 3.14Å; L515-S519 CarbonylContact O-C 3.58Å; L515-S519 VanDerWaalsContact O-CA 3.31Å; L515-S519 WeakPolarHBondContact O-CA 3.3Å; L515-S519 VanDerWaalsContact O-CB 3.28Å; L515-S519 WeakPolarHBondContact O-CB 3.33Å; L515-S519 PolarHBondContact O-N 3.22Å; L515-L520 PolarHBondContact O-N 3.09Å; L515-L525 HydrophobicContact CD2-CD1 4.04Å; L515-L525 HydrophobicContact CD2-CD2 4.34Å; L515-F526 HydrophobicContact CD1-CE1 4.31Å; L515-F526 HydrophobicContact CD1-CE2 4.42Å; L515-F526 HydrophobicContact CD1-CZ 3.67Å; L515-A558 HydrophobicContact CD2-CB 4.31Å; L515-A558 WeakPolarHBondContact CD2-O 3.43Å; L515-A561 HydrophobicContact CD2-CB 3.97Å; L515-A561 HydrophobicContact CG-CB 4.28Å; L515-A562 HydrophobicContact CD1-CB 4.23Å; L515-L565 HydrophobicContact CD1-CD2 4.35Å; L515-F622 HydrophobicContact CB-CE2 4.25Å; L515-F622 HydrophobicContact CB-CZ 3.89Å; L515-F622 HydrophobicContact CD1-CZ 4.4Å
516	S	92.1	Very high	92.9	Very high	23 Å²	23	37.1 Å²	37.1	16%	0.161	18%	0.177	C	C	.	.	H	α-helix	trans	-67.3	-24.9	175.6	-175.8	0	0	0	0	113.4	I512 A513 Y514 L520 Y688	I512-S516 WeakPolarHBondContact O-CB 3.39Å; I512-S516 PolarHBondContact O-N 3.01Å; A513-S516 PolarHBondContact O-N 3.44Å; Y514-S516 PolarHBondContact O-N 3.27Å; S516-L520 VanDerWaalsContact O-CD1 3.26Å; S516-L520 WeakPolarHBondContact O-CD1 3.44Å; S516-Y688 PolarHBondContact OG-OH 2.96Å
517	R	89.1	Confident	93	Very high	130 Å²	130	40.7 Å²	40.7	49%	0.491	19%	0.187	S	C	.	.	H	α-helix	trans	-88.4	-38	-177.7	-179.3	169.5	163.4	137.7	-9.9	112.9	A513 Y514 L515 M693	A513-R517 VanDerWaalsContact O-CB 3.22Å; A513-R517 WeakPolarHBondContact O-CB 3.45Å; A513-R517 PolarHBondContact O-N 2.9Å; Y514-R517 PolarHBondContact O-N 3.47Å; Y514-R517 VanDerWaalsContact O-N 3.16Å; L515-R517 VanDerWaalsContact C-N 3.26Å; L515-R517 PolarHBondContact O-N 3.14Å; R517-M693 HydrophobicContact CG-CE 4.1Å; R517-M693 HydrophobicContact CG-CG 4.31Å; R517-M693 HydrophobicContact CG-SD 3.84Å
518	Y	90.4	Very high	92.9	Very high	67 Å²	67	43.6 Å²	43.6	26%	0.263	20%	0.204	S	C	.	.	H	α-helix	trans	-122.2	-11	-171.8	-53.6	-67.1	0	0	0	115.3	Y514 L552 D553	Y514-Y518 AromaticContact CD2-CD2 3.53Å; Y514-Y518 HydrophobicContact CD2-CD2 3.53Å; Y514-Y518 AromaticContact CD2-CE2 3.86Å; Y514-Y518 HydrophobicContact CD2-CE2 3.86Å; Y514-Y518 AromaticContact CE2-CD2 3.53Å; Y514-Y518 HydrophobicContact CE2-CD2 3.53Å; Y514-Y518 HydrophobicContact CE2-CE2 4.02Å; Y514-Y518 HydrophobicContact CG-CD2 4.45Å; Y514-Y518 PolarHBondContact O-N 2.95Å; Y518-L552 WeakPolarHBondContact CE2-O 3.24Å; Y518-L552 PolarHBondContact OH-O 2.94Å; Y518-D553 WeakPolarHBondContact CE1-O 3.33Å
519	S	91.9	Very high	92.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.9	-0.3	-164.1	-50.8	0	0	0	0	116.4	L515 R521 N522 A558	L515-S519 CarbonylContact O-C 3.58Å; L515-S519 VanDerWaalsContact O-CA 3.31Å; L515-S519 WeakPolarHBondContact O-CA 3.3Å; L515-S519 VanDerWaalsContact O-CB 3.28Å; L515-S519 WeakPolarHBondContact O-CB 3.33Å; L515-S519 PolarHBondContact O-N 3.22Å; S519-R521 PolarHBondContact O-N 3.44Å; S519-N522 WeakPolarHBondContact O-CB 3.21Å; S519-N522 PolarHBondContact O-N 3.25Å; S519-A558 WeakPolarHBondContact OG-CB 3.49Å
520	L	91.9	Very high	92.5	Very high	20 Å²	20	46.2 Å²	46.2	11%	0.105	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.7	-177	-68	176.3	0	0	0	114	L515 S516 F622 L626 F629 N633	L515-L520 PolarHBondContact O-N 3.09Å; S516-L520 VanDerWaalsContact O-CD1 3.26Å; S516-L520 WeakPolarHBondContact O-CD1 3.44Å; L520-F622 HydrophobicContact CD2-CE2 4.08Å; L520-L626 HydrophobicContact CD2-CD1 3.85Å; L520-F629 HydrophobicContact CB-CD2 4.05Å; L520-F629 HydrophobicContact CB-CE2 4.31Å; L520-F629 HydrophobicContact CB-CG 4.3Å; L520-F629 HydrophobicContact CD1-CD2 4.27Å; L520-F629 HydrophobicContact CD1-CE2 3.8Å; L520-F629 HydrophobicContact CD1-CZ 4.29Å; L520-N633 WeakPolarHBondContact O-CB 3.47Å; L520-N633 PolarHBondContact O-ND2 3.02Å
521	R	91.4	Very high	92.5	Very high	146 Å²	146	48 Å²	48	55%	0.551	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-2.7	179.2	-66.9	176.2	149.3	111.2	14.2	113.9	S519 Q523 F629 E632	S519-R521 PolarHBondContact O-N 3.44Å; R521-Q523 PolarHBondContact O-N 3.32Å; R521-F629 HydrophobicContact CG-CD1 4.26Å; R521-E632 WeakPolarHBondContact CD-OE2 3.41Å; R521-E632 HydrophobicContact CG-CB 4.47Å; R521-E632 WeakPolarHBondContact CG-OE2 3.37Å; R521-E632 IonicContact CZ-OE1 3.83Å; R521-E632 VanDerWaalsContact CZ-OE1 3.25Å; R521-E632 IonicContact CZ-OE2 2.76Å; R521-E632 IonicContact NE-OE1 3.75Å; R521-E632 PolarHBondContact NE-OE1 3.01Å; R521-E632 IonicContact NE-OE2 3.44Å; R521-E632 PolarHBondContact NE-OE2 2.71Å; R521-E632 IonicContact NH2-OE1 2.81Å; R521-E632 PolarHBondContact NH2-OE1 3.11Å; R521-E632 IonicContact NH2-OE2 3.26Å
522	N	92.1	Very high	92.3	Very high	49 Å²	49	53.6 Å²	53.6	26%	0.262	27%	0.272	S	S	.	.			trans	-76	117.1	-169.8	-68.1	8.8	0	0	0	110.9	S519 G524 L525 A558	S519-N522 WeakPolarHBondContact O-CB 3.21Å; S519-N522 PolarHBondContact O-N 3.25Å; N522-G524 PolarHBondContact O-N 2.91Å; N522-L525 PolarHBondContact O-N 2.93Å; N522-L525 VanDerWaalsContact O-N 3.11Å; N522-A558 VanDerWaalsContact ND2-CB 3.28Å; N522-A558 WeakPolarHBondContact ND2-CB 3.33Å
523	Q	92.9	Very high	92	Very high	136 Å²	136	56.7 Å²	56.7	64%	0.636	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	121	-173.7	-75.6	-174.6	-6.1	0	0	113.1	R521 E632 N633	R521-Q523 PolarHBondContact O-N 3.32Å; Q523-E632 VanDerWaalsContact CG-O 3.28Å; Q523-E632 WeakPolarHBondContact CG-O 3.49Å; Q523-E632 PolarHBondContact NE2-O 3.12Å; Q523-N633 CarbonylContact C-O 3.57Å; Q523-N633 WeakPolarHBondContact CA-O 3.35Å
524	G	91.2	Very high	92	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	25.7	-179.9	0	0	0	0	0	114.5	N522 F526 R527 V528 N633	N522-G524 PolarHBondContact O-N 2.91Å; G524-F526 PolarHBondContact O-N 3.2Å; G524-R527 CarbonylContact O-C 3.22Å; G524-R527 WeakPolarHBondContact O-CA 3.4Å; G524-R527 WeakPolarHBondContact O-CB 3.49Å; G524-R527 PolarHBondContact O-N 2.73Å; G524-V528 PolarHBondContact O-N 3.26Å; G524-N633 PolarHBondContact N-O 3.42Å
525	L	92.8	Very high	92	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	139.6	172.3	-167.2	68.8	0	0	0	110.7	L515 N522 R527 A558 A562 L626 M635	L515-L525 HydrophobicContact CD2-CD1 4.04Å; L515-L525 HydrophobicContact CD2-CD2 4.34Å; N522-L525 PolarHBondContact O-N 2.93Å; N522-L525 VanDerWaalsContact O-N 3.11Å; L525-R527 PolarHBondContact O-N 2.76Å; L525-A558 HydrophobicContact CD1-CB 4.22Å; L525-A562 HydrophobicContact CD1-CB 3.9Å; L525-A562 HydrophobicContact CG-CB 4.34Å; L525-L626 HydrophobicContact CD2-CD1 3.99Å; L525-L626 HydrophobicContact CD2-CD2 4.12Å; L525-M635 WeakPolarHBondContact O-CE 3.45Å; L525-M635 WeakPolarHBondContact O-CG 3.34Å
526	F	95.8	Very high	91.8	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	-23.3	-167.5	-58.1	-76.9	0	0	0	117.1	L515 G524 A562 L565 K566 F622 L623 L626 L640 C643 F644	L515-F526 HydrophobicContact CD1-CE1 4.31Å; L515-F526 HydrophobicContact CD1-CE2 4.42Å; L515-F526 HydrophobicContact CD1-CZ 3.67Å; G524-F526 PolarHBondContact O-N 3.2Å; F526-A562 HydrophobicContact CD1-CB 3.63Å; F526-A562 HydrophobicContact CE1-CB 3.59Å; F526-A562 HydrophobicContact CG-CB 4.17Å; F526-A562 HydrophobicContact CZ-CB 4.11Å; F526-L565 HydrophobicContact CE1-CD2 4.05Å; F526-L565 HydrophobicContact CZ-CD2 4.03Å; F526-K566 HydrophobicContact CB-CD 4.38Å; F526-K566 HydrophobicContact CD1-CD 3.98Å; F526-K566 HydrophobicContact CD1-CG 3.88Å; F526-K566 HydrophobicContact CE1-CG 4.41Å; F526-K566 PolarHBondContact O-NZ 2.85Å; F526-F622 AromaticContact CE2-CE1 3.7Å; F526-F622 HydrophobicContact CE2-CE1 3.7Å; F526-F622 HydrophobicContact CE2-CZ 4.11Å; F526-F622 AromaticContact CZ-CE1 3.74Å; F526-F622 HydrophobicContact CZ-CE1 3.74Å; F526-F622 HydrophobicContact CZ-CZ 4.31Å; F526-L623 HydrophobicContact CE2-CD2 4.4Å; F526-L626 HydrophobicContact CD2-CD2 3.87Å; F526-L626 HydrophobicContact CE2-CD2 3.8Å; F526-L640 HydrophobicContact CB-CD2 4.29Å; F526-L640 HydrophobicContact CD2-CD2 3.96Å; F526-L640 HydrophobicContact CG-CD2 4.49Å; F526-C643 HydrophobicContact CB-CB 4.34Å; F526-F644 HydrophobicContact CB-CE2 4.18Å; F526-F644 AromaticContact CD1-CE2 3.7Å; F526-F644 HydrophobicContact CD1-CE2 3.7Å; F526-F644 AromaticContact CD1-CZ 3.66Å; F526-F644 HydrophobicContact CD1-CZ 3.66Å; F526-F644 HydrophobicContact CD2-CE2 4.11Å; F526-F644 HydrophobicContact CE1-CE2 4.09Å; F526-F644 AromaticContact CE1-CZ 3.68Å; F526-F644 HydrophobicContact CE1-CZ 3.68Å; F526-F644 HydrophobicContact CE2-CE2 4.48Å; F526-F644 AromaticContact CG-CE2 3.72Å; F526-F644 HydrophobicContact CG-CE2 3.72Å; F526-F644 HydrophobicContact CG-CZ 4.16Å; F526-F644 HydrophobicContact CZ-CE2 4.47Å; F526-F644 HydrophobicContact CZ-CZ 4.21Å
527	R	94.2	Very high	91.9	Very high	131 Å²	131	64.7 Å²	64.7	49%	0.494	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-40.4	172.6	-175.3	178.7	68.6	-151.9	-2.5	112	G524 L525 M635	G524-R527 CarbonylContact O-C 3.22Å; G524-R527 WeakPolarHBondContact O-CA 3.4Å; G524-R527 WeakPolarHBondContact O-CB 3.49Å; G524-R527 PolarHBondContact O-N 2.73Å; L525-R527 PolarHBondContact O-N 2.76Å; R527-M635 HydrophobicContact CB-CE 3.95Å; R527-M635 HydrophobicContact CB-SD 3.74Å
528	V	92.3	Very high	92.2	Very high	63 Å²	63	58.7 Å²	58.7	38%	0.382	29%	0.292	S	S	.	.	S	Bend	trans	-78.5	137.7	175.9	180	0	0	0	0	110	G524	G524-V528 PolarHBondContact O-N 3.26Å
529	S	89.3	Confident	92.3	Very high	106 Å²	106	58.5 Å²	58.5	74%	0.741	29%	0.291	S	S	*	.			trans	-81	131.3	174.8	-63.6	0	0	0	0	111.3
530	G	90.9	Very high	92.1	Very high	17 Å²	17	63.9 Å²	63.9	18%	0.175	32%	0.316	C	S	.	.			trans	-74	179.7	167.5	0	0	0	0	0	113.6	Q532 N559	G530-Q532 PolarHBondContact O-N 2.96Å; G530-N559 VanDerWaalsContact CA-C 3.41Å; G530-N559 WeakPolarHBondContact CA-O 3.48Å; G530-N559 PolarHBondContact N-O 2.81Å
531	S	93	Very high	92	Very high	56 Å²	56	62.9 Å²	62.9	39%	0.392	31%	0.311	S	S	.	.			trans	-68.4	129.4	175.8	-176.8	0	0	0	0	110.6	S533 E534 I535	S531-S533 PolarHBondContact O-N 3.28Å; S531-S533 PolarHBondContact OG-N 3.08Å; S531-S533 PolarHBondContact OG-OG 3.49Å; S531-E534 PolarHBondContact O-N 2.89Å; S531-I535 WeakPolarHBondContact O-CB 3.41Å; S531-I535 VanDerWaalsContact O-CG1 3.26Å; S531-I535 WeakPolarHBondContact O-CG1 3.22Å; S531-I535 PolarHBondContact O-N 3.43Å
532	Q	91.3	Very high	92	Very high	117 Å²	117	56.4 Å²	56.4	55%	0.547	29%	0.287	S	S	.	.	H	α-helix	trans	-66	-24.2	176.8	-166	61.3	67.3	0	0	112.4	G530 N536	G530-Q532 PolarHBondContact O-N 2.96Å; Q532-N536 PolarHBondContact NE2-OD1 3.15Å; Q532-N536 WeakPolarHBondContact O-CB 3.44Å; Q532-N536 PolarHBondContact O-N 2.95Å; Q532-N536 VanDerWaalsContact O-N 3.17Å; Q532-N536 PolarHBondContact O-ND2 3.48Å; Q532-N536 PolarHBondContact O-OD1 3.12Å
533	S	89.9	Confident	91.8	Very high	65 Å²	65	57.1 Å²	57.1	46%	0.455	29%	0.289	S	S	.	.	H	α-helix	trans	-65.4	-48.9	171.9	62.8	0	0	0	0	111.1	S531 N536 R537	S531-S533 PolarHBondContact O-N 3.28Å; S531-S533 PolarHBondContact OG-N 3.08Å; S531-S533 PolarHBondContact OG-OG 3.49Å; S533-N536 PolarHBondContact O-N 2.7Å; S533-R537 WeakPolarHBondContact O-CB 3.4Å; S533-R537 PolarHBondContact O-N 2.94Å
534	E	92.4	Very high	91.3	Very high	43 Å²	43	56.2 Å²	56.2	20%	0.201	28%	0.279	C	S	.	.	H	α-helix	trans	-75.4	-36.8	-175.5	-55.2	-38.2	105.5	0	0	111.1	S531 N536 R537 F538	S531-E534 PolarHBondContact O-N 2.89Å; E534-N536 VanDerWaalsContact C-N 3.26Å; E534-N536 PolarHBondContact O-N 2.65Å; E534-R537 WeakPolarHBondContact O-CB 3.33Å; E534-R537 PolarHBondContact O-N 2.97Å; E534-R537 VanDerWaalsContact O-N 3.15Å; E534-R537 WeakPolarHBondContact OE2-CD 3.42Å; E534-R537 IonicContact OE2-CZ 3.93Å; E534-R537 IonicContact OE2-NE 3.87Å; E534-R537 IonicContact OE2-NH1 3.34Å; E534-R537 PolarHBondContact OE2-NH1 2.79Å; E534-F538 HydrophobicContact CB-CD2 4.32Å; E534-F538 HydrophobicContact CB-CE2 3.99Å; E534-F538 WeakPolarHBondContact O-CB 3.26Å; E534-F538 WeakPolarHBondContact O-CD2 3.44Å; E534-F538 WeakPolarHBondContact O-CG 3.44Å; E534-F538 PolarHBondContact O-N 3.22Å
535	I	93.4	Very high	90.9	Very high	12 Å²	12	57.9 Å²	57.9	6%	0.062	30%	0.297	C	S	.	.	H	α-helix	trans	-55.8	-43	169.9	-69.4	165.4	0	0	0	110.8	S531 R539 S560 V564 L567	S531-I535 WeakPolarHBondContact O-CB 3.41Å; S531-I535 VanDerWaalsContact O-CG1 3.26Å; S531-I535 WeakPolarHBondContact O-CG1 3.22Å; S531-I535 PolarHBondContact O-N 3.43Å; I535-R539 VanDerWaalsContact O-CB 3.27Å; I535-R539 WeakPolarHBondContact O-CB 3.45Å; I535-R539 PolarHBondContact O-N 2.58Å; I535-S560 WeakPolarHBondContact CG1-O 3.17Å; I535-V564 HydrophobicContact CG2-CB 4.38Å; I535-L567 HydrophobicContact CG2-CD2 3.73Å
536	N	90.6	Very high	90.6	Very high	66 Å²	66	60.8 Å²	60.8	35%	0.353	31%	0.31	S	S	.	.	H	α-helix	trans	-69.7	-41.3	175.9	-69.6	1.2	0	0	0	111.9	Q532 S533 E534 R539 E540	Q532-N536 PolarHBondContact NE2-OD1 3.15Å; Q532-N536 WeakPolarHBondContact O-CB 3.44Å; Q532-N536 PolarHBondContact O-N 2.95Å; Q532-N536 VanDerWaalsContact O-N 3.17Å; Q532-N536 PolarHBondContact O-ND2 3.48Å; Q532-N536 PolarHBondContact O-OD1 3.12Å; S533-N536 PolarHBondContact O-N 2.7Å; E534-N536 VanDerWaalsContact C-N 3.26Å; E534-N536 PolarHBondContact O-N 2.65Å; N536-R539 WeakPolarHBondContact O-CB 3.46Å; N536-R539 PolarHBondContact O-N 3.43Å; N536-E540 WeakPolarHBondContact O-CB 3.46Å; N536-E540 WeakPolarHBondContact O-CG 3.28Å; N536-E540 PolarHBondContact O-N 2.7Å
537	R	93.4	Very high	90.3	Very high	135 Å²	135	62.1 Å²	62.1	51%	0.509	32%	0.317	S	S	.	.	H	α-helix	trans	-60.2	-46.4	176.6	-179.1	-169.9	171.4	-156.9	-7.4	112.1	S533 E534 A541	S533-R537 WeakPolarHBondContact O-CB 3.4Å; S533-R537 PolarHBondContact O-N 2.94Å; E534-R537 WeakPolarHBondContact O-CB 3.33Å; E534-R537 PolarHBondContact O-N 2.97Å; E534-R537 VanDerWaalsContact O-N 3.15Å; E534-R537 WeakPolarHBondContact OE2-CD 3.42Å; E534-R537 IonicContact OE2-CZ 3.93Å; E534-R537 IonicContact OE2-NE 3.87Å; E534-R537 IonicContact OE2-NH1 3.34Å; E534-R537 PolarHBondContact OE2-NH1 2.79Å; R537-A541 WeakPolarHBondContact O-CB 3.44Å; R537-A541 PolarHBondContact O-N 3.27Å
538	F	94.2	Very high	90	Very high	3 Å²	3	57.8 Å²	57.8	1%	0.013	30%	0.304	C	S	.	.	H	α-helix	trans	-62.4	-49.8	174	-69.1	-57.9	0	0	0	110.5	E534 E540 A541 Y542 L548 F549 L552 D557 V564	E534-F538 HydrophobicContact CB-CD2 4.32Å; E534-F538 HydrophobicContact CB-CE2 3.99Å; E534-F538 WeakPolarHBondContact O-CB 3.26Å; E534-F538 WeakPolarHBondContact O-CD2 3.44Å; E534-F538 WeakPolarHBondContact O-CG 3.44Å; E534-F538 PolarHBondContact O-N 3.22Å; F538-E540 VanDerWaalsContact C-N 3.33Å; F538-E540 PolarHBondContact O-N 3.01Å; F538-A541 PolarHBondContact O-N 2.94Å; F538-A541 VanDerWaalsContact O-N 3.09Å; F538-Y542 VanDerWaalsContact O-CD2 3.27Å; F538-Y542 WeakPolarHBondContact O-CD2 3.47Å; F538-Y542 PolarHBondContact O-N 3.45Å; F538-L548 HydrophobicContact CD1-CB 3.91Å; F538-L548 HydrophobicContact CD1-CD1 3.82Å; F538-L548 HydrophobicContact CD1-CG 4.47Å; F538-L548 HydrophobicContact CE1-CB 3.9Å; F538-L548 HydrophobicContact CE1-CD1 4.14Å; F538-F549 HydrophobicContact CB-CZ 4.41Å; F538-F549 HydrophobicContact CD1-CD1 4.4Å; F538-F549 AromaticContact CD1-CE1 3.67Å; F538-F549 HydrophobicContact CD1-CE1 3.67Å; F538-F549 AromaticContact CD1-CZ 3.8Å; F538-F549 HydrophobicContact CD1-CZ 3.8Å; F538-F549 HydrophobicContact CD2-CE1 4.25Å; F538-F549 HydrophobicContact CD2-CZ 4.23Å; F538-F549 HydrophobicContact CE1-CD1 4.04Å; F538-F549 AromaticContact CE1-CE1 3.49Å; F538-F549 HydrophobicContact CE1-CE1 3.49Å; F538-F549 VanDerWaalsContact CE1-CE1 3.49Å; F538-F549 HydrophobicContact CE1-CZ 4.12Å; F538-F549 HydrophobicContact CE2-CE1 4.1Å; F538-F549 HydrophobicContact CG-CE1 4.08Å; F538-F549 AromaticContact CG-CZ 3.9Å; F538-F549 HydrophobicContact CG-CZ 3.9Å; F538-F549 HydrophobicContact CZ-CD1 4.48Å; F538-F549 AromaticContact CZ-CE1 3.74Å; F538-F549 HydrophobicContact CZ-CE1 3.74Å; F538-F549 HydrophobicContact CZ-CZ 4.49Å; F538-L552 HydrophobicContact CE1-CD1 4.4Å; F538-L552 HydrophobicContact CZ-CD1 4.19Å; F538-D557 HydrophobicContact CE2-CB 4.32Å; F538-D557 HydrophobicContact CZ-CB 4.14Å; F538-V564 HydrophobicContact CB-CB 4.2Å; F538-V564 HydrophobicContact CB-CG1 3.92Å; F538-V564 HydrophobicContact CB-CG2 4.11Å; F538-V564 HydrophobicContact CD2-CG1 4.49Å; F538-V564 HydrophobicContact CG-CG1 4.42Å
539	R	93	Very high	89.9	Confident	64 Å²	64	55.1 Å²	55.1	24%	0.242	29%	0.287	C	S	.	.	H	α-helix	trans	-51.3	-51.4	176.2	-177.9	-151.9	178.8	111	10.2	111.8	F489 I535 N536 A541 E543 V564 L567 E571	F489-R539 HydrophobicContact CD1-CG 4.03Å; F489-R539 HydrophobicContact CD2-CG 3.64Å; F489-R539 HydrophobicContact CE1-CB 4.45Å; F489-R539 HydrophobicContact CE1-CG 3.89Å; F489-R539 HydrophobicContact CE2-CB 4.11Å; F489-R539 HydrophobicContact CE2-CG 3.49Å; F489-R539 VanDerWaalsContact CE2-CG 3.49Å; F489-R539 HydrophobicContact CG-CG 3.92Å; F489-R539 HydrophobicContact CZ-CB 3.97Å; F489-R539 HydrophobicContact CZ-CG 3.63Å; I535-R539 VanDerWaalsContact O-CB 3.27Å; I535-R539 WeakPolarHBondContact O-CB 3.45Å; I535-R539 PolarHBondContact O-N 2.58Å; N536-R539 WeakPolarHBondContact O-CB 3.46Å; N536-R539 PolarHBondContact O-N 3.43Å; R539-A541 VanDerWaalsContact C-N 3.32Å; R539-A541 PolarHBondContact O-N 3.01Å; R539-E543 WeakPolarHBondContact O-CG 3.46Å; R539-E543 PolarHBondContact O-N 2.95Å; R539-V564 HydrophobicContact CB-CG2 4.23Å; R539-L567 HydrophobicContact CB-CD2 4.32Å; R539-L567 HydrophobicContact CG-CD2 4.26Å; R539-E571 IonicContact CZ-OE2 3.47Å; R539-E571 IonicContact NH1-OE1 2.71Å; R539-E571 PolarHBondContact NH1-OE1 3.22Å; R539-E571 IonicContact NH1-OE2 3.4Å; R539-E571 PolarHBondContact NH1-OE2 3.34Å; R539-E571 IonicContact NH2-OE2 3.23Å; R539-E571 PolarHBondContact NH2-OE2 3.49Å
540	E	89.1	Confident	89.6	Confident	112 Å²	112	56.6 Å²	56.6	52%	0.523	28%	0.282	S	S	.	.	H	α-helix	trans	-66.4	-30	-179.6	-74.1	-178.5	-160.1	0	0	113.3	N536 F538 R544	N536-E540 WeakPolarHBondContact O-CB 3.46Å; N536-E540 WeakPolarHBondContact O-CG 3.28Å; N536-E540 PolarHBondContact O-N 2.7Å; F538-E540 VanDerWaalsContact C-N 3.33Å; F538-E540 PolarHBondContact O-N 3.01Å; E540-R544 WeakPolarHBondContact O-CG 3.41Å; E540-R544 VanDerWaalsContact O-CZ 3.28Å; E540-R544 PolarHBondContact O-N 3.46Å; E540-R544 PolarHBondContact O-NH1 3.42Å
541	A	88.9	Confident	89.2	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-72.9	-47.3	175.7	0	0	0	0	0	112.1	R537 F538 R539 E543 R544 G545 E546 L548	R537-A541 WeakPolarHBondContact O-CB 3.44Å; R537-A541 PolarHBondContact O-N 3.27Å; F538-A541 PolarHBondContact O-N 2.94Å; F538-A541 VanDerWaalsContact O-N 3.09Å; R539-A541 VanDerWaalsContact C-N 3.32Å; R539-A541 PolarHBondContact O-N 3.01Å; A541-E543 VanDerWaalsContact C-N 3.33Å; A541-E543 PolarHBondContact O-N 3.2Å; A541-R544 CarbonylContact O-C 3.58Å; A541-R544 WeakPolarHBondContact O-CA 3.38Å; A541-R544 WeakPolarHBondContact O-CB 3.49Å; A541-R544 PolarHBondContact O-N 3.38Å; A541-G545 PolarHBondContact O-N 3.22Å; A541-E546 HydrophobicContact CB-CB 4.15Å; A541-E546 WeakPolarHBondContact O-CB 3.33Å; A541-E546 PolarHBondContact O-N 3.03Å; A541-L548 HydrophobicContact CB-CD1 3.45Å; A541-L548 VanDerWaalsContact CB-CD1 3.45Å; A541-L548 HydrophobicContact CB-CD2 4.43Å; A541-L548 HydrophobicContact CB-CG 3.67Å
542	Y	91.2	Very high	88.9	Confident	9 Å²	9	63.1 Å²	63.1	4%	0.035	30%	0.297	C	S	.	.	H	α-helix	trans	-68.6	-29.9	178.1	-73.2	-78.8	0	0	0	112.8	L507 F538 R544 G545 D547 L548 F549	L507-Y542 HydrophobicContact CB-CD1 3.8Å; L507-Y542 HydrophobicContact CB-CD2 4.45Å; L507-Y542 HydrophobicContact CB-CE1 4.36Å; L507-Y542 HydrophobicContact CB-CG 3.87Å; L507-Y542 HydrophobicContact CD1-CD1 4.31Å; L507-Y542 HydrophobicContact CD1-CD2 3.48Å; L507-Y542 VanDerWaalsContact CD1-CD2 3.48Å; L507-Y542 HydrophobicContact CD1-CE2 3.8Å; L507-Y542 HydrophobicContact CD1-CG 3.79Å; L507-Y542 HydrophobicContact CG-CD2 4.48Å; L507-Y542 HydrophobicContact CG-CG 4.33Å; F538-Y542 VanDerWaalsContact O-CD2 3.27Å; F538-Y542 WeakPolarHBondContact O-CD2 3.47Å; F538-Y542 PolarHBondContact O-N 3.45Å; Y542-R544 PolarHBondContact O-N 3.36Å; Y542-G545 PolarHBondContact O-N 3.34Å; Y542-D547 HydrophobicContact CE1-CB 4.12Å; Y542-D547 PolarHBondContact OH-OD1 3.19Å; Y542-L548 PolarHBondContact OH-N 2.93Å; Y542-L548 VanDerWaalsContact OH-N 3.13Å; Y542-F549 AromaticContact CE2-CD2 3.74Å; Y542-F549 HydrophobicContact CE2-CD2 3.74Å; Y542-F549 AromaticContact CE2-CE2 3.59Å; Y542-F549 HydrophobicContact CE2-CE2 3.59Å; Y542-F549 HydrophobicContact CE2-CZ 4.31Å; Y542-F549 AromaticContact CZ-CD2 3.6Å; Y542-F549 AromaticContact CZ-CE2 3.95Å; Y542-F549 WeakPolarHBondContact OH-CB 3.48Å; Y542-F549 WeakPolarHBondContact OH-CD2 3.45Å; Y542-F549 WeakPolarHBondContact OH-CG 3.35Å; Y542-F549 PolarHBondContact OH-N 2.99Å
543	E	87.6	Confident	88.6	Confident	65 Å²	65	63.9 Å²	63.9	30%	0.304	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-15.2	166.8	-73.2	-81.7	-152.3	0	0	113.7	L488 F489 R539 A541	L488-E543 HydrophobicContact CB-CG 4.46Å; L488-E543 PolarHBondContact N-OE2 3.27Å; F489-E543 HydrophobicContact CD2-CG 3.69Å; F489-E543 HydrophobicContact CE2-CG 4.17Å; F489-E543 PolarHBondContact N-OE1 3.04Å; R539-E543 WeakPolarHBondContact O-CG 3.46Å; R539-E543 PolarHBondContact O-N 2.95Å; A541-E543 VanDerWaalsContact C-N 3.33Å; A541-E543 PolarHBondContact O-N 3.2Å
544	R	83.4	Confident	88.4	Confident	117 Å²	117	64.4 Å²	64.4	44%	0.442	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	2.6	171.2	-65.9	-175.1	-52.4	-97.1	0.5	113.5	E540 A541 Y542 E546	E540-R544 WeakPolarHBondContact O-CG 3.41Å; E540-R544 VanDerWaalsContact O-CZ 3.28Å; E540-R544 PolarHBondContact O-N 3.46Å; E540-R544 PolarHBondContact O-NH1 3.42Å; A541-R544 CarbonylContact O-C 3.58Å; A541-R544 WeakPolarHBondContact O-CA 3.38Å; A541-R544 WeakPolarHBondContact O-CB 3.49Å; A541-R544 PolarHBondContact O-N 3.38Å; Y542-R544 PolarHBondContact O-N 3.36Å; R544-E546 HydrophobicContact CB-CG 4.09Å; R544-E546 WeakPolarHBondContact CB-OE1 3.24Å; R544-E546 IonicContact CZ-OE2 2.9Å; R544-E546 IonicContact NE-OE1 2.86Å; R544-E546 PolarHBondContact NE-OE1 3.27Å; R544-E546 IonicContact NE-OE2 2.63Å; R544-E546 PolarHBondContact NE-OE2 3.16Å; R544-E546 IonicContact NH2-OE2 2.78Å; R544-E546 PolarHBondContact NH2-OE2 2.99Å
545	G	83.1	Confident	87.9	Confident	35 Å²	35	63.5 Å²	63.5	36%	0.361	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	22.5	-174.1	0	0	0	0	0	114.6	A541 Y542	A541-G545 PolarHBondContact O-N 3.22Å; Y542-G545 PolarHBondContact O-N 3.34Å
546	E	85.9	Confident	87.6	Confident	61 Å²	61	67 Å²	67	29%	0.285	33%	0.33	S	S	.	.			trans	-100.1	109.5	-175.9	-65.8	159.9	-162.3	0	0	110.3	K478 A541 R544 L548	K478-E546 IonicContact NZ-OE1 2.75Å; K478-E546 PolarHBondContact NZ-OE1 3.41Å; A541-E546 HydrophobicContact CB-CB 4.15Å; A541-E546 WeakPolarHBondContact O-CB 3.33Å; A541-E546 PolarHBondContact O-N 3.03Å; R544-E546 HydrophobicContact CB-CG 4.09Å; R544-E546 WeakPolarHBondContact CB-OE1 3.24Å; R544-E546 IonicContact CZ-OE2 2.9Å; R544-E546 IonicContact NE-OE1 2.86Å; R544-E546 PolarHBondContact NE-OE1 3.27Å; R544-E546 IonicContact NE-OE2 2.63Å; R544-E546 PolarHBondContact NE-OE2 3.16Å; R544-E546 IonicContact NH2-OE2 2.78Å; R544-E546 PolarHBondContact NH2-OE2 2.99Å; E546-L548 PolarHBondContact O-N 3.04Å
547	D	89.4	Confident	87.7	Confident	27 Å²	27	65.2 Å²	65.2	14%	0.144	32%	0.321	C	S	.	.			trans	-79.9	97.3	-179.9	-169.2	-6.6	0	0	0	111.9	L506 S510 Y542 F549 Q550 Y551	L506-D547 HydrophobicContact CD2-CB 4.07Å; S510-D547 WeakPolarHBondContact CB-OD1 3.41Å; S510-D547 WeakPolarHBondContact CB-OD2 3.4Å; S510-D547 PolarHBondContact OG-OD1 3.37Å; S510-D547 PolarHBondContact OG-OD2 3.36Å; Y542-D547 HydrophobicContact CE1-CB 4.12Å; Y542-D547 PolarHBondContact OH-OD1 3.19Å; D547-F549 PolarHBondContact OD1-N 3.19Å; D547-Q550 PolarHBondContact OD1-N 2.82Å; D547-Y551 WeakPolarHBondContact O-CD2 3.25Å; D547-Y551 WeakPolarHBondContact O-CE2 3.38Å
548	L	88.4	Confident	87.7	Confident	40 Å²	40	58.9 Å²	58.9	21%	0.209	30%	0.297	C	S	.	.			trans	-79.3	-29.5	179.3	-65.3	-174.4	0	0	0	113.7	F538 A541 Y542 E546 Q550 Y551	F538-L548 HydrophobicContact CD1-CB 3.91Å; F538-L548 HydrophobicContact CD1-CD1 3.82Å; F538-L548 HydrophobicContact CD1-CG 4.47Å; F538-L548 HydrophobicContact CE1-CB 3.9Å; F538-L548 HydrophobicContact CE1-CD1 4.14Å; A541-L548 HydrophobicContact CB-CD1 3.45Å; A541-L548 VanDerWaalsContact CB-CD1 3.45Å; A541-L548 HydrophobicContact CB-CD2 4.43Å; A541-L548 HydrophobicContact CB-CG 3.67Å; Y542-L548 PolarHBondContact OH-N 2.93Å; Y542-L548 VanDerWaalsContact OH-N 3.13Å; E546-L548 PolarHBondContact O-N 3.04Å; L548-Q550 VanDerWaalsContact C-N 3.25Å; L548-Q550 PolarHBondContact O-N 3.29Å; L548-Y551 PolarHBondContact O-N 2.94Å; L548-Y551 VanDerWaalsContact O-N 3.11Å
549	F	89.6	Confident	87.7	Confident	8 Å²	8	61.1 Å²	61.1	4%	0.035	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-69.3	-21.9	-177.7	-64.7	-46.2	0	0	0	113.1	L507 A511 Y514 F538 Y542 D547 Y551 L552 A561 V564	L507-F549 HydrophobicContact CD1-CE2 4.06Å; A511-F549 HydrophobicContact CB-CD2 3.84Å; A511-F549 HydrophobicContact CB-CE2 3.61Å; A511-F549 HydrophobicContact CB-CZ 4.46Å; Y514-F549 HydrophobicContact CD1-CD1 4.07Å; Y514-F549 HydrophobicContact CD1-CE1 4.47Å; Y514-F549 HydrophobicContact CG-CB 4.41Å; Y514-F549 HydrophobicContact CG-CD1 4.18Å; Y514-F549 HydrophobicContact CG-CG 4.47Å; F538-F549 HydrophobicContact CB-CZ 4.41Å; F538-F549 HydrophobicContact CD1-CD1 4.4Å; F538-F549 AromaticContact CD1-CE1 3.67Å; F538-F549 HydrophobicContact CD1-CE1 3.67Å; F538-F549 AromaticContact CD1-CZ 3.8Å; F538-F549 HydrophobicContact CD1-CZ 3.8Å; F538-F549 HydrophobicContact CD2-CE1 4.25Å; F538-F549 HydrophobicContact CD2-CZ 4.23Å; F538-F549 HydrophobicContact CE1-CD1 4.04Å; F538-F549 AromaticContact CE1-CE1 3.49Å; F538-F549 HydrophobicContact CE1-CE1 3.49Å; F538-F549 VanDerWaalsContact CE1-CE1 3.49Å; F538-F549 HydrophobicContact CE1-CZ 4.12Å; F538-F549 HydrophobicContact CE2-CE1 4.1Å; F538-F549 HydrophobicContact CG-CE1 4.08Å; F538-F549 AromaticContact CG-CZ 3.9Å; F538-F549 HydrophobicContact CG-CZ 3.9Å; F538-F549 HydrophobicContact CZ-CD1 4.48Å; F538-F549 AromaticContact CZ-CE1 3.74Å; F538-F549 HydrophobicContact CZ-CE1 3.74Å; F538-F549 HydrophobicContact CZ-CZ 4.49Å; Y542-F549 AromaticContact CE2-CD2 3.74Å; Y542-F549 HydrophobicContact CE2-CD2 3.74Å; Y542-F549 AromaticContact CE2-CE2 3.59Å; Y542-F549 HydrophobicContact CE2-CE2 3.59Å; Y542-F549 HydrophobicContact CE2-CZ 4.31Å; Y542-F549 AromaticContact CZ-CD2 3.6Å; Y542-F549 AromaticContact CZ-CE2 3.95Å; Y542-F549 WeakPolarHBondContact OH-CB 3.48Å; Y542-F549 WeakPolarHBondContact OH-CD2 3.45Å; Y542-F549 WeakPolarHBondContact OH-CG 3.35Å; Y542-F549 PolarHBondContact OH-N 2.99Å; D547-F549 PolarHBondContact OD1-N 3.19Å; F549-Y551 PolarHBondContact O-N 2.92Å; F549-L552 HydrophobicContact CD1-CD1 3.84Å; F549-L552 HydrophobicContact CE1-CD1 4.33Å; F549-L552 PolarHBondContact O-N 2.93Å; F549-A561 HydrophobicContact CD1-CB 4.4Å; F549-A561 HydrophobicContact CE1-CB 3.56Å; F549-A561 HydrophobicContact CZ-CB 3.72Å; F549-V564 HydrophobicContact CE2-CG1 4.21Å; F549-V564 HydrophobicContact CZ-CG1 3.78Å
550	Q	83.7	Confident	87.8	Confident	136 Å²	136	58.4 Å²	58.4	64%	0.636	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-60.2	-27.8	170	-174.4	175.4	58.1	0	0	113	D547 L548	D547-Q550 PolarHBondContact OD1-N 2.82Å; L548-Q550 VanDerWaalsContact C-N 3.25Å; L548-Q550 PolarHBondContact O-N 3.29Å
551	Y	82	Confident	88.1	Confident	171 Å²	171	53.1 Å²	53.1	67%	0.671	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-98.5	5.5	-175.4	-52.5	-63.6	0	0	0	114.1	D547 L548 F549	D547-Y551 WeakPolarHBondContact O-CD2 3.25Å; D547-Y551 WeakPolarHBondContact O-CE2 3.38Å; L548-Y551 PolarHBondContact O-N 2.94Å; L548-Y551 VanDerWaalsContact O-N 3.11Å; F549-Y551 PolarHBondContact O-N 2.92Å
552	L	86.8	Confident	88.4	Confident	39 Å²	39	53.1 Å²	53.1	20%	0.204	28%	0.275	C	S	.	.			trans	-97.2	125.5	176.9	-57	-171.6	0	0	0	111	Y514 Y518 F538 F549 D557	Y514-L552 HydrophobicContact CD2-CB 3.85Å; Y514-L552 HydrophobicContact CD2-CD1 4.31Å; Y514-L552 HydrophobicContact CE1-CD1 4.31Å; Y514-L552 HydrophobicContact CE2-CB 3.4Å; Y514-L552 VanDerWaalsContact CE2-CB 3.4Å; Y514-L552 HydrophobicContact CE2-CD1 3.77Å; Y514-L552 HydrophobicContact CE2-CG 4.23Å; Y518-L552 WeakPolarHBondContact CE2-O 3.24Å; Y518-L552 PolarHBondContact OH-O 2.94Å; F538-L552 HydrophobicContact CE1-CD1 4.4Å; F538-L552 HydrophobicContact CZ-CD1 4.19Å; F549-L552 HydrophobicContact CD1-CD1 3.84Å; F549-L552 HydrophobicContact CE1-CD1 4.33Å; F549-L552 PolarHBondContact O-N 2.93Å; L552-D557 HydrophobicContact CD1-CB 4.02Å
553	D	83.4	Confident	88.7	Confident	133 Å²	133	53.3 Å²	53.3	71%	0.711	28%	0.28	S	S	*	.			trans	-106.2	-9	-176.6	59.7	-17.2	0	0	0	114.2	Y518	Y518-D553 WeakPolarHBondContact CE1-O 3.33Å
554	D	86	Confident	89.1	Confident	77 Å²	77	50.2 Å²	50.2	41%	0.412	27%	0.265	S	S	.	.	S	Bend	trans	-128.9	175.9	177.6	90.8	-11.8	0	0	0	114	Y514 S556	Y514-D554 WeakPolarHBondContact CE2-O 3.35Å; Y514-D554 VanDerWaalsContact CZ-O 3.28Å; Y514-D554 PolarHBondContact OH-O 3.02Å; D554-S556 WeakPolarHBondContact OD1-CB 3.27Å; D554-S556 PolarHBondContact OD1-N 3.35Å; D554-S556 PolarHBondContact OD1-OG 3.19Å; D554-S556 WeakPolarHBondContact OD2-CB 3.26Å
555	G	82.6	Confident	89.8	Confident	24 Å²	24	44.6 Å²	44.6	25%	0.247	24%	0.244	C	C	.	.	S	Bend	trans	-88.6	13.2	179	0	0	0	0	0	115.7	D557 A558	G555-D557 PolarHBondContact O-N 3.15Å; G555-A558 VanDerWaalsContact O-CB 3.27Å; G555-A558 WeakPolarHBondContact O-CB 3.1Å; G555-A558 PolarHBondContact O-N 2.7Å
556	S	87.8	Confident	90.4	Very high	86 Å²	86	45 Å²	45	60%	0.601	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-41.4	-170.9	59.6	0	0	0	0	113.5	D554 A558	D554-S556 WeakPolarHBondContact OD1-CB 3.27Å; D554-S556 PolarHBondContact OD1-N 3.35Å; D554-S556 PolarHBondContact OD1-OG 3.19Å; D554-S556 WeakPolarHBondContact OD2-CB 3.26Å; S556-A558 VanDerWaalsContact C-N 3.31Å; S556-A558 PolarHBondContact O-N 2.8Å
557	D	91.6	Very high	90.9	Very high	28 Å²	28	42.5 Å²	42.5	15%	0.15	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	9.2	-178.1	-107	-43.9	0	0	0	114	Y514 F538 L552 G555 N559 S560 A561	Y514-D557 PolarHBondContact OH-N 3.31Å; F538-D557 HydrophobicContact CE2-CB 4.32Å; F538-D557 HydrophobicContact CZ-CB 4.14Å; L552-D557 HydrophobicContact CD1-CB 4.02Å; G555-D557 PolarHBondContact O-N 3.15Å; D557-N559 VanDerWaalsContact C-N 3.3Å; D557-N559 PolarHBondContact O-N 3.44Å; D557-N559 VanDerWaalsContact O-N 3.12Å; D557-S560 CarbonylContact O-C 3.57Å; D557-S560 WeakPolarHBondContact O-CA 3.35Å; D557-S560 VanDerWaalsContact O-CB 3.3Å; D557-S560 WeakPolarHBondContact O-CB 3.41Å; D557-S560 PolarHBondContact O-N 3.06Å; D557-S560 WeakPolarHBondContact OD1-CB 3.48Å; D557-S560 PolarHBondContact OD1-OG 3.5Å; D557-A561 PolarHBondContact O-N 3.5Å
558	A	93.4	Very high	91.3	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-47.8	-44.9	-175.6	0	0	0	0	0	114.6	L515 S519 N522 L525 G555 S556 S560 A561 A562	L515-A558 HydrophobicContact CD2-CB 4.31Å; L515-A558 WeakPolarHBondContact CD2-O 3.43Å; S519-A558 WeakPolarHBondContact OG-CB 3.49Å; N522-A558 VanDerWaalsContact ND2-CB 3.28Å; N522-A558 WeakPolarHBondContact ND2-CB 3.33Å; L525-A558 HydrophobicContact CD1-CB 4.22Å; G555-A558 VanDerWaalsContact O-CB 3.27Å; G555-A558 WeakPolarHBondContact O-CB 3.1Å; G555-A558 PolarHBondContact O-N 2.7Å; S556-A558 VanDerWaalsContact C-N 3.31Å; S556-A558 PolarHBondContact O-N 2.8Å; A558-S560 VanDerWaalsContact C-N 3.35Å; A558-A561 PolarHBondContact O-N 2.87Å; A558-A562 VanDerWaalsContact O-CB 3.27Å; A558-A562 WeakPolarHBondContact O-CB 3.24Å; A558-A562 PolarHBondContact O-N 3.14Å
559	N	93.9	Very high	91.7	Very high	51 Å²	51	39.5 Å²	39.5	27%	0.273	21%	0.208	S	C	.	.	H	α-helix	trans	-71.9	-29.7	179.6	-67.4	-42.9	0	0	0	112.3	G530 D557 G563	G530-N559 VanDerWaalsContact CA-C 3.41Å; G530-N559 WeakPolarHBondContact CA-O 3.48Å; G530-N559 PolarHBondContact N-O 2.81Å; D557-N559 VanDerWaalsContact C-N 3.3Å; D557-N559 PolarHBondContact O-N 3.44Å; D557-N559 VanDerWaalsContact O-N 3.12Å; N559-G563 PolarHBondContact O-N 3.22Å
560	S	95.8	Very high	92	Very high	7 Å²	7	46.6 Å²	46.6	5%	0.049	24%	0.235	C	C	.	.	H	α-helix	trans	-72.9	-43.1	174.4	-50.1	0	0	0	0	110.8	I535 D557 A558 G563 V564	I535-S560 WeakPolarHBondContact CG1-O 3.17Å; D557-S560 CarbonylContact O-C 3.57Å; D557-S560 WeakPolarHBondContact O-CA 3.35Å; D557-S560 VanDerWaalsContact O-CB 3.3Å; D557-S560 WeakPolarHBondContact O-CB 3.41Å; D557-S560 PolarHBondContact O-N 3.06Å; D557-S560 WeakPolarHBondContact OD1-CB 3.48Å; D557-S560 PolarHBondContact OD1-OG 3.5Å; A558-S560 VanDerWaalsContact C-N 3.35Å; S560-G563 WeakPolarHBondContact O-CA 2.98Å; S560-G563 PolarHBondContact O-N 3.05Å; S560-G563 VanDerWaalsContact O-N 3.15Å; S560-V564 PolarHBondContact O-N 2.92Å
561	A	95.4	Very high	92.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.7	-48.3	174.1	0	0	0	0	0	112.1	Y514 L515 F549 D557 A558 G563 V564 L565	Y514-A561 HydrophobicContact CD1-CB 3.73Å; Y514-A561 HydrophobicContact CE1-CB 3.74Å; L515-A561 HydrophobicContact CD2-CB 3.97Å; L515-A561 HydrophobicContact CG-CB 4.28Å; F549-A561 HydrophobicContact CD1-CB 4.4Å; F549-A561 HydrophobicContact CE1-CB 3.56Å; F549-A561 HydrophobicContact CZ-CB 3.72Å; D557-A561 PolarHBondContact O-N 3.5Å; A558-A561 PolarHBondContact O-N 2.87Å; A561-G563 PolarHBondContact O-N 3.33Å; A561-V564 WeakPolarHBondContact O-CG1 3.44Å; A561-V564 PolarHBondContact O-N 3.46Å; A561-L565 WeakPolarHBondContact O-CB 3.34Å; A561-L565 PolarHBondContact O-N 3.02Å
562	A	96.1	Very high	93.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.9	-31.2	172.3	0	0	0	0	0	112.7	L515 L525 F526 A558 K566	L515-A562 HydrophobicContact CD1-CB 4.23Å; L525-A562 HydrophobicContact CD1-CB 3.9Å; L525-A562 HydrophobicContact CG-CB 4.34Å; F526-A562 HydrophobicContact CD1-CB 3.63Å; F526-A562 HydrophobicContact CE1-CB 3.59Å; F526-A562 HydrophobicContact CG-CB 4.17Å; F526-A562 HydrophobicContact CZ-CB 4.11Å; A558-A562 VanDerWaalsContact O-CB 3.27Å; A558-A562 WeakPolarHBondContact O-CB 3.24Å; A558-A562 PolarHBondContact O-N 3.14Å; A562-K566 PolarHBondContact O-N 2.91Å
563	G	96.4	Very high	93.3	Very high	13 Å²	13	39.7 Å²	39.7	13%	0.134	20%	0.203	C	C	.	.	H	α-helix	trans	-65.8	-52.5	173.9	0	0	0	0	0	113	N559 S560 A561 K566 L567	N559-G563 PolarHBondContact O-N 3.22Å; S560-G563 WeakPolarHBondContact O-CA 2.98Å; S560-G563 PolarHBondContact O-N 3.05Å; S560-G563 VanDerWaalsContact O-N 3.15Å; A561-G563 PolarHBondContact O-N 3.33Å; G563-K566 PolarHBondContact O-N 3.09Å; G563-L567 WeakPolarHBondContact O-CB 3.27Å; G563-L567 PolarHBondContact O-N 2.76Å
564	V	96.9	Very high	93.7	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-69.8	-31.5	-179.6	68.3	0	0	0	0	112.6	F489 L507 I535 F538 R539 F549 S560 A561 L567 Y568	F489-V564 HydrophobicContact CE1-CG2 4.09Å; F489-V564 HydrophobicContact CZ-CG2 3.7Å; L507-V564 HydrophobicContact CD1-CG1 4.26Å; L507-V564 HydrophobicContact CD1-CG2 4.29Å; I535-V564 HydrophobicContact CG2-CB 4.38Å; F538-V564 HydrophobicContact CB-CB 4.2Å; F538-V564 HydrophobicContact CB-CG1 3.92Å; F538-V564 HydrophobicContact CB-CG2 4.11Å; F538-V564 HydrophobicContact CD2-CG1 4.49Å; F538-V564 HydrophobicContact CG-CG1 4.42Å; R539-V564 HydrophobicContact CB-CG2 4.23Å; F549-V564 HydrophobicContact CE2-CG1 4.21Å; F549-V564 HydrophobicContact CZ-CG1 3.78Å; S560-V564 PolarHBondContact O-N 2.92Å; A561-V564 WeakPolarHBondContact O-CG1 3.44Å; A561-V564 PolarHBondContact O-N 3.46Å; V564-L567 WeakPolarHBondContact O-CB 3.45Å; V564-L567 PolarHBondContact O-N 3.43Å; V564-Y568 PolarHBondContact O-N 3.29Å
565	L	97.1	Very high	94	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63	-45.6	173.4	-177.3	59.4	0	0	0	111.8	V508 A511 I512 L515 F526 A561 L567 Y568 F569	V508-L565 HydrophobicContact CB-CD1 4.35Å; V508-L565 HydrophobicContact CG1-CD1 4.16Å; V508-L565 HydrophobicContact CG2-CD1 4.09Å; A511-L565 HydrophobicContact CB-CB 4.42Å; A511-L565 HydrophobicContact CB-CD1 4.42Å; I512-L565 HydrophobicContact CD1-CD2 4.27Å; I512-L565 HydrophobicContact CG1-CD2 3.73Å; L515-L565 HydrophobicContact CD1-CD2 4.35Å; F526-L565 HydrophobicContact CE1-CD2 4.05Å; F526-L565 HydrophobicContact CZ-CD2 4.03Å; A561-L565 WeakPolarHBondContact O-CB 3.34Å; A561-L565 PolarHBondContact O-N 3.02Å; L565-L567 VanDerWaalsContact C-N 3.34Å; L565-Y568 PolarHBondContact O-N 3.03Å; L565-F569 HydrophobicContact CD1-CD2 4.44Å; L565-F569 HydrophobicContact CD1-CE2 3.94Å; L565-F569 HydrophobicContact CG-CE2 4.43Å; L565-F569 WeakPolarHBondContact O-CD2 3.48Å
566	K	96.6	Very high	94.6	Very high	42 Å²	42	35 Å²	35	18%	0.183	17%	0.17	C	C	.	.	H	α-helix	trans	-65.3	-36.8	172.1	-71.8	-173.4	-59.3	172.9	0	112.4	F526 A562 G563 Y568 F569 R570 F644 T647	F526-K566 HydrophobicContact CB-CD 4.38Å; F526-K566 HydrophobicContact CD1-CD 3.98Å; F526-K566 HydrophobicContact CD1-CG 3.88Å; F526-K566 HydrophobicContact CE1-CG 4.41Å; F526-K566 PolarHBondContact O-NZ 2.85Å; A562-K566 PolarHBondContact O-N 2.91Å; G563-K566 PolarHBondContact O-N 3.09Å; K566-Y568 VanDerWaalsContact C-N 3.29Å; K566-Y568 PolarHBondContact O-N 2.75Å; K566-F569 PolarHBondContact O-N 2.98Å; K566-R570 WeakPolarHBondContact O-CB 3.19Å; K566-R570 PolarHBondContact O-N 2.99Å; K566-F644 HydrophobicContact CG-CE1 4.01Å; K566-F644 HydrophobicContact CG-CZ 3.95Å; K566-T647 WeakPolarHBondContact O-CG2 3.48Å
567	L	96.4	Very high	95	Very high	10 Å²	10	31 Å²	31	5%	0.052	14%	0.141	C	C	.	.	H	α-helix	trans	-59.3	-41.7	178.6	-171.8	67	0	0	0	111.5	F489 I535 R539 G563 V564 L565 R570 E571	F489-L567 HydrophobicContact CD1-CD2 4.4Å; F489-L567 HydrophobicContact CD1-CG 4.16Å; F489-L567 HydrophobicContact CE1-CB 4.17Å; F489-L567 HydrophobicContact CE1-CD2 4.07Å; F489-L567 HydrophobicContact CE1-CG 4.01Å; I535-L567 HydrophobicContact CG2-CD2 3.73Å; R539-L567 HydrophobicContact CB-CD2 4.32Å; R539-L567 HydrophobicContact CG-CD2 4.26Å; G563-L567 WeakPolarHBondContact O-CB 3.27Å; G563-L567 PolarHBondContact O-N 2.76Å; V564-L567 WeakPolarHBondContact O-CB 3.45Å; V564-L567 PolarHBondContact O-N 3.43Å; L565-L567 VanDerWaalsContact C-N 3.34Å; L567-R570 PolarHBondContact O-N 3.34Å; L567-E571 HydrophobicContact CD1-CG 4.4Å; L567-E571 WeakPolarHBondContact CD1-OE1 3.2Å; L567-E571 WeakPolarHBondContact O-CB 3.5Å; L567-E571 PolarHBondContact O-N 3.4Å; L567-E571 VanDerWaalsContact O-N 3.07Å
568	Y	97.1	Very high	95	Very high	2 Å²	2	30 Å²	30	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-58.9	-57.6	177.1	166.8	-105.2	0	0	0	111.8	L488 L507 V508 V564 L565 K566 R570 E571 L572 L615	L488-Y568 HydrophobicContact CD1-CD2 4.07Å; L488-Y568 HydrophobicContact CD1-CE2 3.64Å; L488-Y568 HydrophobicContact CG-CD2 4.08Å; L488-Y568 HydrophobicContact CG-CE2 4.13Å; L488-Y568 VanDerWaalsContact O-CD2 3.31Å; L488-Y568 WeakPolarHBondContact O-CD2 3.44Å; L488-Y568 VanDerWaalsContact O-CE2 3.24Å; L488-Y568 WeakPolarHBondContact O-CE2 3.21Å; L507-Y568 HydrophobicContact CD2-CD2 4.12Å; L507-Y568 HydrophobicContact CD2-CG 3.99Å; V508-Y568 HydrophobicContact CG2-CD1 3.6Å; V508-Y568 HydrophobicContact CG2-CE1 3.48Å; V508-Y568 VanDerWaalsContact CG2-CE1 3.48Å; V564-Y568 PolarHBondContact O-N 3.29Å; L565-Y568 PolarHBondContact O-N 3.03Å; K566-Y568 VanDerWaalsContact C-N 3.29Å; K566-Y568 PolarHBondContact O-N 2.75Å; Y568-R570 VanDerWaalsContact C-N 3.3Å; Y568-R570 PolarHBondContact O-N 2.82Å; Y568-E571 CarbonylContact O-C 2.85Å; Y568-E571 PolarHBondContact O-N 3.38Å; Y568-E571 VanDerWaalsContact O-N 3.12Å; Y568-L572 HydrophobicContact CE1-CD2 4.45Å; Y568-L572 HydrophobicContact CE2-CD2 3.83Å; Y568-L572 PolarHBondContact O-N 3.03Å; Y568-L615 HydrophobicContact CE1-CD2 4.12Å
569	F	96.9	Very high	95	Very high	1 Å²	1	34 Å²	34	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-58.5	-39.9	179	-76.6	-75.7	0	0	0	113	L565 K566 E571 L572 I576 L615 L619 T647 L648	L565-F569 HydrophobicContact CD1-CD2 4.44Å; L565-F569 HydrophobicContact CD1-CE2 3.94Å; L565-F569 HydrophobicContact CG-CE2 4.43Å; L565-F569 WeakPolarHBondContact O-CD2 3.48Å; K566-F569 PolarHBondContact O-N 2.98Å; F569-E571 VanDerWaalsContact C-N 3.29Å; F569-E571 PolarHBondContact O-N 2.9Å; F569-L572 HydrophobicContact CD1-CD1 4.3Å; F569-I576 HydrophobicContact CD1-CB 4.32Å; F569-I576 HydrophobicContact CD1-CG2 4.11Å; F569-I576 HydrophobicContact CE1-CG1 4.38Å; F569-L615 HydrophobicContact CD1-CD2 4.48Å; F569-L615 HydrophobicContact CE1-CD1 4.1Å; F569-L615 HydrophobicContact CE1-CD2 3.61Å; F569-L615 HydrophobicContact CE1-CG 3.71Å; F569-L615 HydrophobicContact CZ-CD1 3.78Å; F569-L615 HydrophobicContact CZ-CD2 4.14Å; F569-L615 HydrophobicContact CZ-CG 3.88Å; F569-L619 HydrophobicContact CE1-CD2 4.16Å; F569-L619 HydrophobicContact CE2-CD1 4.09Å; F569-L619 HydrophobicContact CE2-CD2 3.96Å; F569-L619 HydrophobicContact CE2-CG 4.49Å; F569-L619 HydrophobicContact CZ-CB 4.26Å; F569-L619 HydrophobicContact CZ-CD1 4.38Å; F569-L619 HydrophobicContact CZ-CD2 3.75Å; F569-L619 HydrophobicContact CZ-CG 4.35Å; F569-T647 HydrophobicContact CB-CG2 3.68Å; F569-L648 HydrophobicContact CB-CD2 4.1Å; F569-L648 HydrophobicContact CD1-CD2 3.74Å; F569-L648 HydrophobicContact CE1-CD2 4.28Å; F569-L648 HydrophobicContact CG-CD2 3.89Å
570	R	95.8	Very high	94.9	Very high	157 Å²	157	39.2 Å²	39.2	59%	0.592	18%	0.177	S	C	*	.	H	α-helix	trans	-67.8	-26.8	179.5	-167.3	-178.9	68.3	-175.3	2.9	113.4	K566 L567 Y568 T647	K566-R570 WeakPolarHBondContact O-CB 3.19Å; K566-R570 PolarHBondContact O-N 2.99Å; L567-R570 PolarHBondContact O-N 3.34Å; Y568-R570 VanDerWaalsContact C-N 3.3Å; Y568-R570 PolarHBondContact O-N 2.82Å; R570-T647 HydrophobicContact CB-CG2 4.12Å
571	E	94.6	Very high	94.7	Very high	55 Å²	55	39.2 Å²	39.2	26%	0.257	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	13.5	-176.9	-67.3	-170	-152.6	0	0	113.5	F489 G490 R539 L567 Y568 F569	F489-E571 HydrophobicContact CB-CB 4.44Å; G490-E571 WeakPolarHBondContact CA-O 3.4Å; G490-E571 PolarHBondContact N-O 2.98Å; R539-E571 IonicContact CZ-OE2 3.47Å; R539-E571 IonicContact NH1-OE1 2.71Å; R539-E571 PolarHBondContact NH1-OE1 3.22Å; R539-E571 IonicContact NH1-OE2 3.4Å; R539-E571 PolarHBondContact NH1-OE2 3.34Å; R539-E571 IonicContact NH2-OE2 3.23Å; R539-E571 PolarHBondContact NH2-OE2 3.49Å; L567-E571 HydrophobicContact CD1-CG 4.4Å; L567-E571 WeakPolarHBondContact CD1-OE1 3.2Å; L567-E571 WeakPolarHBondContact O-CB 3.5Å; L567-E571 PolarHBondContact O-N 3.4Å; L567-E571 VanDerWaalsContact O-N 3.07Å; Y568-E571 CarbonylContact O-C 2.85Å; Y568-E571 PolarHBondContact O-N 3.38Å; Y568-E571 VanDerWaalsContact O-N 3.12Å; F569-E571 VanDerWaalsContact C-N 3.29Å; F569-E571 PolarHBondContact O-N 2.9Å
572	L	93.6	Very high	94.7	Very high	17 Å²	17	39.2 Å²	39.2	9%	0.089	18%	0.177	C	C	.	.	S	Bend	trans	-57.9	141.1	163.3	-68.1	173.3	0	0	0	109.9	Y568 F569 E574 I576	Y568-L572 HydrophobicContact CE1-CD2 4.45Å; Y568-L572 HydrophobicContact CE2-CD2 3.83Å; Y568-L572 PolarHBondContact O-N 3.03Å; F569-L572 HydrophobicContact CD1-CD1 4.3Å; L572-E574 WeakPolarHBondContact CB-O 3.35Å; L572-E574 PolarHBondContact O-N 2.95Å; L572-I576 HydrophobicContact CD1-CB 4.04Å; L572-I576 HydrophobicContact CD1-CD1 4.36Å
573	R	92.5	Very high	94.5	Very high	129 Å²	129	42.4 Å²	42.4	49%	0.487	19%	0.191	S	C	.	.	S	Bend	trans	-57.8	-37.2	179.8	-174.4	-167.7	-57.8	157.4	5.4	111.8	G491 E495	G491-R573 VanDerWaalsContact O-CB 3.27Å; G491-R573 WeakPolarHBondContact O-CB 3.37Å; G491-R573 PolarHBondContact O-N 3.49Å; E495-R573 VanDerWaalsContact CD-NH1 3.27Å; E495-R573 IonicContact OE1-CZ 3.64Å; E495-R573 IonicContact OE1-NH1 2.71Å; E495-R573 PolarHBondContact OE1-NH1 3.24Å; E495-R573 IonicContact OE1-NH2 3.42Å; E495-R573 IonicContact OE2-CZ 3.94Å; E495-R573 IonicContact OE2-NH1 3.8Å; E495-R573 PolarHBondContact OE2-NH1 2.98Å; E495-R573 IonicContact OE2-NH2 3.75Å; E495-R573 PolarHBondContact OE2-NH2 3.5Å
574	E	90.6	Very high	94.5	Very high	118 Å²	118	46 Å²	46	55%	0.551	21%	0.205	S	C	*	.	S	Bend	trans	-122.9	133.9	168.3	-64.8	-173.2	-150.5	0	0	107.8	L572	L572-E574 WeakPolarHBondContact CB-O 3.35Å; L572-E574 PolarHBondContact O-N 2.95Å
575	P	93.2	Very high	94.4	Very high	19 Å²	19	46.1 Å²	46.1	12%	0.123	21%	0.205	C	C	.	.			trans	-60.9	145.5	179.1	-23	33.2	0	0	0	112.3	F577 I579 P650	P575-F577 CarbonylContact O-C 3.57Å; P575-F577 VanDerWaalsContact O-C 3.22Å; P575-F577 PolarHBondContact O-N 2.83Å; P575-I579 HydrophobicContact CG-CD1 3.93Å; P575-I579 HydrophobicContact CG-CG1 3.9Å; P575-P650 HydrophobicContact CB-CG 3.95Å; P575-P650 HydrophobicContact CG-CG 3.42Å; P575-P650 VanDerWaalsContact CG-CG 3.42Å
576	I	95	Very high	94.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-59.7	-23.1	-173.9	-166.2	63.7	0	0	0	114	L493 F569 L572 H612 L615 L616 L648	L493-I576 HydrophobicContact CD2-CD1 3.71Å; F569-I576 HydrophobicContact CD1-CB 4.32Å; F569-I576 HydrophobicContact CD1-CG2 4.11Å; F569-I576 HydrophobicContact CE1-CG1 4.38Å; L572-I576 HydrophobicContact CD1-CB 4.04Å; L572-I576 HydrophobicContact CD1-CD1 4.36Å; I576-H612 HydrophobicContact CD1-CB 3.89Å; I576-L615 HydrophobicContact CD1-CD2 3.77Å; I576-L615 HydrophobicContact CD1-CG 4.47Å; I576-L615 HydrophobicContact CG1-CD2 4.44Å; I576-L616 HydrophobicContact CG1-CD1 4.19Å; I576-L616 HydrophobicContact CG1-CD2 3.7Å; I576-L616 HydrophobicContact CG1-CG 3.76Å; I576-L616 HydrophobicContact CG2-CD2 4.03Å; I576-L648 HydrophobicContact CG2-CB 3.9Å; I576-L648 HydrophobicContact CG2-CD2 3.59Å; I576-L648 HydrophobicContact CG2-CG 4.33Å
577	F	95.3	Very high	94.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-101.4	108.3	157.5	-66.4	-64.5	0	0	0	109.3	P575 I579 F585 L608 L616 F620 L648 L649 L671	P575-F577 CarbonylContact O-C 3.57Å; P575-F577 VanDerWaalsContact O-C 3.22Å; P575-F577 PolarHBondContact O-N 2.83Å; F577-I579 PolarHBondContact O-N 3.1Å; F577-F585 HydrophobicContact CB-CD2 4.43Å; F577-F585 HydrophobicContact CB-CE2 4.28Å; F577-F585 AromaticContact CD1-CE1 3.94Å; F577-F585 HydrophobicContact CD1-CE1 3.94Å; F577-F585 AromaticContact CD1-CE2 3.94Å; F577-F585 HydrophobicContact CD1-CE2 3.94Å; F577-F585 AromaticContact CD1-CZ 3.63Å; F577-F585 HydrophobicContact CD1-CZ 3.63Å; F577-F585 HydrophobicContact CE1-CE1 4.14Å; F577-F585 HydrophobicContact CE1-CZ 4.18Å; F577-L608 HydrophobicContact CD1-CD1 4.26Å; F577-L608 HydrophobicContact CE1-CD1 4.34Å; F577-L616 HydrophobicContact CD1-CD1 4.24Å; F577-L616 HydrophobicContact CE1-CD1 3.64Å; F577-L616 HydrophobicContact CE1-CD2 4.16Å; F577-L616 HydrophobicContact CE2-CD2 3.96Å; F577-L616 HydrophobicContact CZ-CD1 3.98Å; F577-L616 HydrophobicContact CZ-CD2 3.64Å; F577-L616 HydrophobicContact CZ-CG 4.46Å; F577-F620 HydrophobicContact CE2-CE2 4.27Å; F577-F620 HydrophobicContact CE2-CZ 4.41Å; F577-F620 HydrophobicContact CZ-CE2 4.06Å; F577-F620 HydrophobicContact CZ-CZ 4.43Å; F577-L648 HydrophobicContact CD2-CB 3.81Å; F577-L648 HydrophobicContact CE2-CB 3.96Å; F577-L648 HydrophobicContact CE2-CD1 4.31Å; F577-L648 PolarHBondContact N-O 2.93Å; F577-L649 HydrophobicContact CB-CB 4.09Å; F577-L649 HydrophobicContact CB-CD1 3.83Å; F577-L649 HydrophobicContact CB-CG 4.38Å; F577-L649 HydrophobicContact CD2-CB 4.21Å; F577-L671 HydrophobicContact CE1-CD1 4.35Å; F577-L671 HydrophobicContact CE2-CD1 4.17Å; F577-L671 HydrophobicContact CZ-CD1 3.61Å
578	P	93.2	Very high	94	Very high	9 Å²	9	47.3 Å²	47.3	6%	0.058	21%	0.214	C	C	.	.			trans	-60.8	136.1	-171.1	-27.7	35.8	0	0	0	113.9	F580 M581 L608	P578-F580 HydrophobicContact CB-CD1 3.71Å; P578-F580 HydrophobicContact CB-CE1 3.34Å; P578-F580 HydrophobicContact CB-CZ 3.9Å; P578-F580 HydrophobicContact CG-CE1 4.2Å; P578-F580 HydrophobicContact CG-CZ 4.45Å; P578-F580 PolarHBondContact O-N 3.05Å; P578-F580 VanDerWaalsContact O-N 3.12Å; P578-M581 WeakPolarHBondContact O-CB 3.45Å; P578-M581 PolarHBondContact O-N 3Å; P578-L608 VanDerWaalsContact CD-CD2 3.49Å; P578-L608 HydrophobicContact CG-CD2 4Å
579	I	91.7	Very high	93.8	Very high	83 Å²	83	47.7 Å²	47.7	43%	0.426	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-59.8	-30.6	-172.1	-60.4	177.5	0	0	0	112.4	P575 F577 M581 F582 P652	P575-I579 HydrophobicContact CG-CD1 3.93Å; P575-I579 HydrophobicContact CG-CG1 3.9Å; F577-I579 PolarHBondContact O-N 3.1Å; I579-M581 PolarHBondContact O-N 3.38Å; I579-F582 WeakPolarHBondContact O-CB 3.46Å; I579-F582 PolarHBondContact O-N 2.84Å; I579-F582 VanDerWaalsContact O-N 3.14Å; I579-P652 HydrophobicContact CG2-CG 3.9Å
580	F	91.7	Very high	93.5	Very high	162 Å²	162	51.7 Å²	51.7	71%	0.711	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-68.8	-17.2	176.5	68.6	-96.2	0	0	0	113.8	P578	P578-F580 HydrophobicContact CB-CD1 3.71Å; P578-F580 HydrophobicContact CB-CE1 3.34Å; P578-F580 HydrophobicContact CB-CZ 3.9Å; P578-F580 HydrophobicContact CG-CE1 4.2Å; P578-F580 HydrophobicContact CG-CZ 4.45Å; P578-F580 PolarHBondContact O-N 3.05Å; P578-F580 VanDerWaalsContact O-N 3.12Å
581	M	93.3	Very high	93.2	Very high	6 Å²	6	45.2 Å²	45.2	3%	0.03	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-94.8	-0.8	173.9	-60.8	-176.1	65.9	0	0	113.2	P578 I579 E583 Q584 F585 L604 K607 L608	P578-M581 WeakPolarHBondContact O-CB 3.45Å; P578-M581 PolarHBondContact O-N 3Å; I579-M581 PolarHBondContact O-N 3.38Å; M581-E583 PolarHBondContact O-N 2.94Å; M581-Q584 WeakPolarHBondContact O-CA 3.35Å; M581-Q584 WeakPolarHBondContact O-CB 3.49Å; M581-Q584 PolarHBondContact O-N 3.13Å; M581-F585 HydrophobicContact CB-CD2 3.6Å; M581-F585 HydrophobicContact CB-CE2 3.56Å; M581-F585 HydrophobicContact CE-CE2 3.85Å; M581-F585 HydrophobicContact CE-CZ 4.05Å; M581-F585 HydrophobicContact CG-CE2 4.4Å; M581-F585 WeakPolarHBondContact O-CD2 3.4Å; M581-F585 PolarHBondContact O-N 3Å; M581-F585 HydrophobicContact SD-CE2 4.07Å; M581-L604 HydrophobicContact CE-CB 4.2Å; M581-L604 HydrophobicContact CE-CD2 3.86Å; M581-K607 HydrophobicContact CE-CB 4.16Å; M581-K607 HydrophobicContact CE-CD 4.49Å; M581-L608 HydrophobicContact CE-CD2 4.48Å; M581-L608 HydrophobicContact SD-CD2 3.79Å
582	F	94.3	Very high	92.7	Very high	1 Å²	1	52.1 Å²	52.1	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-50	-46.8	-171.4	177.9	-83.3	0	0	0	114.3	I579 F585 C586 L649 I651 P652 K655 Y660 V664	I579-F582 WeakPolarHBondContact O-CB 3.46Å; I579-F582 PolarHBondContact O-N 2.84Å; I579-F582 VanDerWaalsContact O-N 3.14Å; F582-F585 PolarHBondContact O-N 3.35Å; F582-C586 PolarHBondContact O-N 3.1Å; F582-C586 PolarHBondContact O-SG 2.97Å; F582-L649 HydrophobicContact CB-CD1 4.36Å; F582-L649 HydrophobicContact CD2-CD1 3.64Å; F582-L649 HydrophobicContact CD2-CD2 4.27Å; F582-L649 HydrophobicContact CD2-CG 3.81Å; F582-L649 HydrophobicContact CE2-CD1 4.43Å; F582-L649 HydrophobicContact CE2-CG 4.14Å; F582-L649 HydrophobicContact CG-CD1 4.43Å; F582-I651 HydrophobicContact CE2-CB 4.23Å; F582-I651 HydrophobicContact CE2-CG1 4.01Å; F582-I651 HydrophobicContact CE2-CG2 4.45Å; F582-I651 HydrophobicContact CZ-CB 4.22Å; F582-I651 HydrophobicContact CZ-CG1 4.02Å; F582-I651 HydrophobicContact CZ-CG2 3.98Å; F582-P652 HydrophobicContact CD1-CG 4.34Å; F582-P652 HydrophobicContact CD2-CG 4.21Å; F582-P652 VanDerWaalsContact CE2-CD 3.5Å; F582-P652 HydrophobicContact CG-CG 4.1Å; F582-K655 HydrophobicContact CD1-CD 4.24Å; F582-K655 VanDerWaalsContact CD1-NZ 3.26Å; F582-K655 HydrophobicContact CE1-CD 3.89Å; F582-Y660 AromaticContact CE1-CD1 3.51Å; F582-Y660 HydrophobicContact CE1-CD1 3.51Å; F582-Y660 AromaticContact CE1-CE1 3.81Å; F582-Y660 HydrophobicContact CE1-CE1 3.81Å; F582-Y660 AromaticContact CE1-CG 3.94Å; F582-Y660 HydrophobicContact CE1-CG 3.94Å; F582-Y660 AromaticContact CZ-CD1 3.84Å; F582-Y660 HydrophobicContact CZ-CD1 3.84Å; F582-Y660 AromaticContact CZ-CG 3.98Å; F582-Y660 HydrophobicContact CZ-CG 3.98Å; F582-V664 HydrophobicContact CE2-CG2 3.96Å; F582-V664 HydrophobicContact CZ-CG2 4.23Å
583	E	93.1	Very high	92.6	Very high	66 Å²	66	53.8 Å²	53.8	31%	0.308	26%	0.259	S	S	.	.	H	α-helix	trans	-66.6	-39.5	178.4	-65.8	-60.6	164.2	0	0	111.9	M581 F585 C586 D587 K655 Y660	M581-E583 PolarHBondContact O-N 2.94Å; E583-F585 VanDerWaalsContact C-N 3.3Å; E583-F585 PolarHBondContact O-N 2.81Å; E583-C586 CarbonylContact O-C 3.6Å; E583-C586 PolarHBondContact O-N 3.5Å; E583-D587 WeakPolarHBondContact O-CB 3.2Å; E583-D587 PolarHBondContact O-N 2.97Å; E583-K655 VanDerWaalsContact OE1-CE 3.32Å; E583-K655 WeakPolarHBondContact OE1-CE 3.31Å; E583-K655 IonicContact OE1-NZ 3.85Å; E583-K655 PolarHBondContact OE1-NZ 3.18Å; E583-Y660 PolarHBondContact OE1-OH 3.02Å; E583-Y660 WeakPolarHBondContact OE2-CE1 3.47Å; E583-Y660 PolarHBondContact OE2-OH 3.36Å
584	Q	94.9	Very high	92.5	Very high	88 Å²	88	51.2 Å²	51.2	41%	0.411	26%	0.259	S	S	.	.	H	α-helix	trans	-63.3	-39.6	178.7	-57.2	175.8	53.9	0	0	111	M581 C588 L604	M581-Q584 WeakPolarHBondContact O-CA 3.35Å; M581-Q584 WeakPolarHBondContact O-CB 3.49Å; M581-Q584 PolarHBondContact O-N 3.13Å; Q584-C588 WeakPolarHBondContact O-CB 3.46Å; Q584-C588 PolarHBondContact O-N 3.35Å; Q584-L604 HydrophobicContact CB-CD1 4.27Å; Q584-L604 HydrophobicContact CB-CD2 3.79Å; Q584-L604 WeakPolarHBondContact O-CD1 3.47Å
585	F	95.3	Very high	92.6	Very high	3 Å²	3	50.9 Å²	50.9	1%	0.013	27%	0.265	C	S	.	.	H	α-helix	trans	-68.6	-39.8	174	-81.1	-61.2	0	0	0	112.5	F577 M581 F582 E583 C588 A589 L604 L608 L649 L667	F577-F585 HydrophobicContact CB-CD2 4.43Å; F577-F585 HydrophobicContact CB-CE2 4.28Å; F577-F585 AromaticContact CD1-CE1 3.94Å; F577-F585 HydrophobicContact CD1-CE1 3.94Å; F577-F585 AromaticContact CD1-CE2 3.94Å; F577-F585 HydrophobicContact CD1-CE2 3.94Å; F577-F585 AromaticContact CD1-CZ 3.63Å; F577-F585 HydrophobicContact CD1-CZ 3.63Å; F577-F585 HydrophobicContact CE1-CE1 4.14Å; F577-F585 HydrophobicContact CE1-CZ 4.18Å; M581-F585 HydrophobicContact CB-CD2 3.6Å; M581-F585 HydrophobicContact CB-CE2 3.56Å; M581-F585 HydrophobicContact CE-CE2 3.85Å; M581-F585 HydrophobicContact CE-CZ 4.05Å; M581-F585 HydrophobicContact CG-CE2 4.4Å; M581-F585 WeakPolarHBondContact O-CD2 3.4Å; M581-F585 PolarHBondContact O-N 3Å; M581-F585 HydrophobicContact SD-CE2 4.07Å; F582-F585 PolarHBondContact O-N 3.35Å; E583-F585 VanDerWaalsContact C-N 3.3Å; E583-F585 PolarHBondContact O-N 2.81Å; F585-C588 WeakPolarHBondContact O-CB 3.33Å; F585-C588 PolarHBondContact O-N 3.22Å; F585-A589 PolarHBondContact O-N 2.86Å; F585-L604 HydrophobicContact CD1-CB 4.3Å; F585-L604 HydrophobicContact CD1-CD1 3.8Å; F585-L604 HydrophobicContact CE1-CB 3.64Å; F585-L604 HydrophobicContact CE1-CD1 4.03Å; F585-L604 HydrophobicContact CE1-CG 4.46Å; F585-L604 HydrophobicContact CG-CD1 4.32Å; F585-L604 HydrophobicContact CZ-CB 3.93Å; F585-L608 HydrophobicContact CZ-CD1 4.41Å; F585-L608 HydrophobicContact CZ-CD2 4.36Å; F585-L649 HydrophobicContact CB-CD2 3.88Å; F585-L667 HydrophobicContact CB-CD2 3.76Å; F585-L667 HydrophobicContact CD1-CD1 4.35Å; F585-L667 HydrophobicContact CD1-CD2 4.14Å; F585-L667 HydrophobicContact CG-CD2 4.24Å
586	C	93.8	Very high	92.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-68.5	-33.9	173.8	-66.1	0	0	0	0	113	F582 E583 A589 K590 Y660	F582-C586 PolarHBondContact O-N 3.1Å; F582-C586 PolarHBondContact O-SG 2.97Å; E583-C586 CarbonylContact O-C 3.6Å; E583-C586 PolarHBondContact O-N 3.5Å; C586-A589 PolarHBondContact O-N 3.15Å; C586-K590 WeakPolarHBondContact O-CE 3.33Å; C586-K590 WeakPolarHBondContact O-CG 3.35Å; C586-K590 PolarHBondContact O-N 3.29Å; C586-Y660 HydrophobicContact CB-CD1 4.36Å; C586-Y660 HydrophobicContact CB-CE1 4.38Å
587	D	93	Very high	92.6	Very high	76 Å²	76	52.8 Å²	52.8	41%	0.406	27%	0.272	S	S	.	.	H	α-helix	trans	-74.2	-27.9	174.1	-76.9	-22.4	0	0	0	112.6	E583 K590	E583-D587 WeakPolarHBondContact O-CB 3.2Å; E583-D587 PolarHBondContact O-N 2.97Å; D587-K590 PolarHBondContact O-N 2.98Å; D587-K590 WeakPolarHBondContact OD1-CE 3.36Å; D587-K590 IonicContact OD1-NZ 2.7Å; D587-K590 PolarHBondContact OD1-NZ 3.28Å
588	C	94.1	Very high	92.6	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.014	28%	0.279	C	S	.	.	H	α-helix	trans	-62.2	-46.4	167.6	-171.1	0	0	0	0	110.7	Q584 F585 K590 S591 R600 A601 L604	Q584-C588 WeakPolarHBondContact O-CB 3.46Å; Q584-C588 PolarHBondContact O-N 3.35Å; F585-C588 WeakPolarHBondContact O-CB 3.33Å; F585-C588 PolarHBondContact O-N 3.22Å; C588-K590 PolarHBondContact O-N 2.88Å; C588-K590 VanDerWaalsContact O-N 3.14Å; C588-S591 VanDerWaalsContact O-CB 3.27Å; C588-S591 WeakPolarHBondContact O-CB 3.43Å; C588-S591 PolarHBondContact O-N 3.34Å; C588-S591 VanDerWaalsContact O-N 3.11Å; C588-S591 PolarHBondContact O-OG 2.85Å; C588-R600 HydrophobicContact CB-CB 4.44Å; C588-R600 VanDerWaalsContact SG-CB 3.53Å; C588-A601 PolarHBondContact SG-N 3.25Å; C588-L604 HydrophobicContact CB-CD1 3.81Å
589	A	92.9	Very high	92.7	Very high	10 Å²	10	59.2 Å²	59.2	8%	0.083	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-13.3	178.7	0	0	0	0	0	114.9	F585 C586 S591 Y663 L667	F585-A589 PolarHBondContact O-N 2.86Å; C586-A589 PolarHBondContact O-N 3.15Å; A589-S591 VanDerWaalsContact C-N 3.26Å; A589-S591 PolarHBondContact O-N 3Å; A589-Y663 WeakPolarHBondContact CB-O 3.45Å; A589-L667 HydrophobicContact CB-CB 3.95Å
590	K	91.2	Very high	92.9	Very high	84 Å²	84	59.5 Å²	59.5	37%	0.365	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	4.5	173.5	-66.3	166.6	-159.1	165.9	0	113.4	C586 D587 C588 E592 Y663	C586-K590 WeakPolarHBondContact O-CE 3.33Å; C586-K590 WeakPolarHBondContact O-CG 3.35Å; C586-K590 PolarHBondContact O-N 3.29Å; D587-K590 PolarHBondContact O-N 2.98Å; D587-K590 WeakPolarHBondContact OD1-CE 3.36Å; D587-K590 IonicContact OD1-NZ 2.7Å; D587-K590 PolarHBondContact OD1-NZ 3.28Å; C588-K590 PolarHBondContact O-N 2.88Å; C588-K590 VanDerWaalsContact O-N 3.14Å; K590-E592 PolarHBondContact O-N 3.41Å; K590-Y663 HydrophobicContact CD-CE1 4.22Å; K590-Y663 HydrophobicContact CG-CD1 3.84Å; K590-Y663 HydrophobicContact CG-CE1 3.51Å
591	S	89.9	Confident	93.1	Very high	21 Å²	21	51.9 Å²	51.9	15%	0.147	26%	0.261	C	S	.	.			trans	-78.7	111.8	-176.1	-54.9	0	0	0	0	111.9	C588 A589 S593	C588-S591 VanDerWaalsContact O-CB 3.27Å; C588-S591 WeakPolarHBondContact O-CB 3.43Å; C588-S591 PolarHBondContact O-N 3.34Å; C588-S591 VanDerWaalsContact O-N 3.11Å; C588-S591 PolarHBondContact O-OG 2.85Å; A589-S591 VanDerWaalsContact C-N 3.26Å; A589-S591 PolarHBondContact O-N 3Å; S591-S593 VanDerWaalsContact C-N 3.25Å; S591-S593 PolarHBondContact O-N 3.37Å
592	E	84.7	Confident	93.2	Very high	201 Å²	201	57.2 Å²	57.2	94%	0.939	28%	0.28	S	S	*	.	S	Bend	trans	-66	-22.3	-179	-61.3	179.3	171.1	0	0	114.2	K590	K590-E592 PolarHBondContact O-N 3.41Å
593	S	91.5	Very high	93.1	Very high	52 Å²	52	61.3 Å²	61.3	36%	0.364	30%	0.299	S	S	.	.	S	Bend	trans	-103.5	127.2	176.8	-178.5	0	0	0	0	111.5	S591 T595 E596 F597	S591-S593 VanDerWaalsContact C-N 3.25Å; S591-S593 PolarHBondContact O-N 3.37Å; S593-T595 PolarHBondContact O-N 2.97Å; S593-T595 PolarHBondContact OG-N 3.16Å; S593-T595 PolarHBondContact OG-OG1 2.85Å; S593-E596 PolarHBondContact O-N 3.27Å; S593-E596 VanDerWaalsContact O-N 3.12Å; S593-F597 PolarHBondContact O-N 3.34Å
594	P	90.7	Very high	93.2	Very high	75 Å²	75	58.7 Å²	58.7	49%	0.487	29%	0.287	S	S	.	.	H	α-helix	trans	-53.6	-35.2	172.6	-28.5	36.2	0	0	0	113.9	F597 V598	P594-F597 PolarHBondContact O-N 3.02Å; P594-V598 WeakPolarHBondContact O-CB 3.09Å; P594-V598 WeakPolarHBondContact O-CG2 3.11Å; P594-V598 PolarHBondContact O-N 3.01Å
595	T	91.8	Very high	93.3	Very high	110 Å²	110	54.7 Å²	54.7	68%	0.675	27%	0.269	S	S	*	.	H	α-helix	trans	-70.7	-34.1	180	55.5	0	0	0	0	113	S593 R599	S593-T595 PolarHBondContact O-N 2.97Å; S593-T595 PolarHBondContact OG-N 3.16Å; S593-T595 PolarHBondContact OG-OG1 2.85Å; T595-R599 WeakPolarHBondContact O-CB 3.42Å; T595-R599 PolarHBondContact O-N 2.91Å; T595-R599 VanDerWaalsContact O-N 3.08Å
596	E	92.8	Very high	93.2	Very high	56 Å²	56	58.7 Å²	58.7	26%	0.262	30%	0.298	S	S	.	.	H	α-helix	trans	-78.7	-34.4	174.8	177.7	63.8	178.5	0	0	111.1	S593 R599 R600	S593-E596 PolarHBondContact O-N 3.27Å; S593-E596 VanDerWaalsContact O-N 3.12Å; E596-R599 PolarHBondContact O-N 2.74Å; E596-R599 IonicContact OE1-CZ 3.4Å; E596-R599 IonicContact OE1-NE 3.51Å; E596-R599 IonicContact OE1-NH2 2.74Å; E596-R599 PolarHBondContact OE1-NH2 3.24Å; E596-R599 IonicContact OE2-CZ 3.52Å; E596-R599 IonicContact OE2-NE 3.54Å; E596-R599 PolarHBondContact OE2-NE 3.37Å; E596-R599 IonicContact OE2-NH2 2.77Å; E596-R599 PolarHBondContact OE2-NH2 2.93Å; E596-R600 WeakPolarHBondContact O-CB 3.42Å; E596-R600 WeakPolarHBondContact O-CG 3.46Å; E596-R600 PolarHBondContact O-N 2.74Å; E596-R600 IonicContact OE1-CZ 3.28Å; E596-R600 VanDerWaalsContact OE1-CZ 3.23Å; E596-R600 IonicContact OE1-NE 2.67Å; E596-R600 PolarHBondContact OE1-NE 3.01Å; E596-R600 IonicContact OE1-NH2 3.18Å; E596-R600 PolarHBondContact OE1-NH2 2.93Å
597	F	95.8	Very high	93.1	Very high	4 Å²	4	63.7 Å²	63.7	2%	0.018	32%	0.319	C	S	.	.	H	α-helix	trans	-56.7	-54.9	168.1	174.9	-93.9	0	0	0	110.7	S593 P594 R599 R600 A601 L667 N670 L671 V678	S593-F597 PolarHBondContact O-N 3.34Å; P594-F597 PolarHBondContact O-N 3.02Å; F597-R599 VanDerWaalsContact C-N 3.31Å; F597-R599 PolarHBondContact O-N 3.44Å; F597-R600 PolarHBondContact O-N 3.08Å; F597-A601 HydrophobicContact CD1-CB 4.48Å; F597-A601 HydrophobicContact CE1-CB 4.08Å; F597-A601 HydrophobicContact CZ-CB 4.14Å; F597-A601 WeakPolarHBondContact O-CB 3.49Å; F597-A601 PolarHBondContact O-N 3.34Å; F597-L667 HydrophobicContact CE2-CD1 4.02Å; F597-L667 HydrophobicContact CZ-CD1 4.24Å; F597-N670 HydrophobicContact CD1-CB 3.94Å; F597-N670 HydrophobicContact CD2-CB 4.26Å; F597-N670 HydrophobicContact CE1-CB 3.47Å; F597-N670 VanDerWaalsContact CE1-CB 3.47Å; F597-N670 HydrophobicContact CE2-CB 3.82Å; F597-N670 HydrophobicContact CG-CB 4.32Å; F597-N670 HydrophobicContact CZ-CB 3.4Å; F597-N670 VanDerWaalsContact CZ-CB 3.4Å; F597-L671 HydrophobicContact CE1-CD2 4.42Å; F597-L671 HydrophobicContact CZ-CD2 4.1Å; F597-L671 HydrophobicContact CZ-CG 4.15Å; F597-V678 HydrophobicContact CE1-CG2 4.4Å
598	V	95.6	Very high	93.2	Very high	23 Å²	23	60.8 Å²	60.8	14%	0.139	30%	0.304	C	S	.	.	H	α-helix	trans	-55.2	-46.4	178.2	162	0	0	0	0	111.3	P594 R600 A601 R602 H674 D677 V678	P594-V598 WeakPolarHBondContact O-CB 3.09Å; P594-V598 WeakPolarHBondContact O-CG2 3.11Å; P594-V598 PolarHBondContact O-N 3.01Å; V598-R600 PolarHBondContact O-N 3.47Å; V598-A601 PolarHBondContact O-N 3.44Å; V598-R602 VanDerWaalsContact O-CB 3.26Å; V598-R602 WeakPolarHBondContact O-CB 3.37Å; V598-R602 PolarHBondContact O-N 3.35Å; V598-H674 HydrophobicContact CG2-CB 3.77Å; V598-D677 HydrophobicContact CB-CB 4.49Å; V598-D677 HydrophobicContact CG1-CB 3.79Å; V598-D677 WeakPolarHBondContact CG1-O 3.38Å; V598-D677 HydrophobicContact CG2-CB 3.8Å; V598-V678 HydrophobicContact CG2-CG2 4.29Å
599	R	95.1	Very high	93.2	Very high	120 Å²	120	63.2 Å²	63.2	45%	0.453	32%	0.32	S	S	.	.	H	α-helix	trans	-60.6	-46.6	179.2	-166.6	-162.5	63.8	69.2	-0	111.9	T595 E596 F597 E603	T595-R599 WeakPolarHBondContact O-CB 3.42Å; T595-R599 PolarHBondContact O-N 2.91Å; T595-R599 VanDerWaalsContact O-N 3.08Å; E596-R599 PolarHBondContact O-N 2.74Å; E596-R599 IonicContact OE1-CZ 3.4Å; E596-R599 IonicContact OE1-NE 3.51Å; E596-R599 IonicContact OE1-NH2 2.74Å; E596-R599 PolarHBondContact OE1-NH2 3.24Å; E596-R599 IonicContact OE2-CZ 3.52Å; E596-R599 IonicContact OE2-NE 3.54Å; E596-R599 PolarHBondContact OE2-NE 3.37Å; E596-R599 IonicContact OE2-NH2 2.77Å; E596-R599 PolarHBondContact OE2-NH2 2.93Å; F597-R599 VanDerWaalsContact C-N 3.31Å; F597-R599 PolarHBondContact O-N 3.44Å; R599-E603 IonicContact NH1-OE2 3.72Å; R599-E603 PolarHBondContact NH1-OE2 3.33Å; R599-E603 VanDerWaalsContact NH1-OE2 3.12Å; R599-E603 WeakPolarHBondContact O-CB 3.35Å; R599-E603 PolarHBondContact O-N 2.87Å; R599-E603 VanDerWaalsContact O-N 3.15Å
600	R	95	Very high	93.2	Very high	90 Å²	90	67 Å²	67	34%	0.34	34%	0.341	S	S	.	.	H	α-helix	trans	-69.7	-43.5	178.5	-71.7	179.2	-172.4	-169.3	5.2	112.5	C588 E596 F597 V598 R602 E603 L604	C588-R600 HydrophobicContact CB-CB 4.44Å; C588-R600 VanDerWaalsContact SG-CB 3.53Å; E596-R600 WeakPolarHBondContact O-CB 3.42Å; E596-R600 WeakPolarHBondContact O-CG 3.46Å; E596-R600 PolarHBondContact O-N 2.74Å; E596-R600 IonicContact OE1-CZ 3.28Å; E596-R600 VanDerWaalsContact OE1-CZ 3.23Å; E596-R600 IonicContact OE1-NE 2.67Å; E596-R600 PolarHBondContact OE1-NE 3.01Å; E596-R600 IonicContact OE1-NH2 3.18Å; E596-R600 PolarHBondContact OE1-NH2 2.93Å; F597-R600 PolarHBondContact O-N 3.08Å; V598-R600 PolarHBondContact O-N 3.47Å; R600-R602 PolarHBondContact O-N 3.4Å; R600-E603 WeakPolarHBondContact O-CB 3.26Å; R600-E603 PolarHBondContact O-N 2.95Å; R600-E603 VanDerWaalsContact O-N 3.17Å; R600-L604 WeakPolarHBondContact O-CG 3.45Å; R600-L604 PolarHBondContact O-N 3.41Å
601	A	95.5	Very high	93.2	Very high	2 Å²	2	63.6 Å²	63.6	2%	0.017	33%	0.328	C	S	.	.	H	α-helix	trans	-61.3	-45.2	179.4	0	0	0	0	0	110.6	C588 F597 V598 E603 L604 V605 L671 V678	C588-A601 PolarHBondContact SG-N 3.25Å; F597-A601 HydrophobicContact CD1-CB 4.48Å; F597-A601 HydrophobicContact CE1-CB 4.08Å; F597-A601 HydrophobicContact CZ-CB 4.14Å; F597-A601 WeakPolarHBondContact O-CB 3.49Å; F597-A601 PolarHBondContact O-N 3.34Å; V598-A601 PolarHBondContact O-N 3.44Å; A601-E603 VanDerWaalsContact C-N 3.35Å; A601-E603 PolarHBondContact O-N 3.23Å; A601-L604 PolarHBondContact O-N 2.99Å; A601-V605 WeakPolarHBondContact O-CB 3.48Å; A601-V605 VanDerWaalsContact O-CG2 3.29Å; A601-V605 WeakPolarHBondContact O-CG2 3.43Å; A601-V605 PolarHBondContact O-N 3.5Å; A601-L671 HydrophobicContact CB-CD2 4.23Å; A601-V678 HydrophobicContact CB-CB 4.49Å; A601-V678 HydrophobicContact CB-CG1 3.8Å; A601-V678 HydrophobicContact CB-CG2 3.8Å
602	R	95.4	Very high	93.5	Very high	118 Å²	118	63.3 Å²	63.3	45%	0.445	32%	0.324	S	S	.	.	H	α-helix	trans	-59.8	-42.2	172.9	-173.6	-177.7	-73.8	-114.1	8	112.2	V598 R600 L604 V605 S606 D677	V598-R602 VanDerWaalsContact O-CB 3.26Å; V598-R602 WeakPolarHBondContact O-CB 3.37Å; V598-R602 PolarHBondContact O-N 3.35Å; R600-R602 PolarHBondContact O-N 3.4Å; R602-L604 VanDerWaalsContact C-N 3.33Å; R602-L604 PolarHBondContact O-N 3.34Å; R602-V605 PolarHBondContact O-N 2.98Å; R602-S606 WeakPolarHBondContact O-CB 3.44Å; R602-S606 PolarHBondContact O-N 3.47Å; R602-S606 PolarHBondContact O-OG 3.35Å; R602-D677 VanDerWaalsContact CZ-O 3.31Å; R602-D677 PolarHBondContact NE-O 3.33Å; R602-D677 PolarHBondContact NH2-O 2.88Å
603	E	93.9	Very high	94	Very high	86 Å²	86	54.1 Å²	54.1	40%	0.402	28%	0.282	S	S	.	.	H	α-helix	trans	-65.7	-31.1	176.9	-160	-155.5	119.6	0	0	113.2	R599 R600 A601 S606 K607	R599-E603 IonicContact NH1-OE2 3.72Å; R599-E603 PolarHBondContact NH1-OE2 3.33Å; R599-E603 VanDerWaalsContact NH1-OE2 3.12Å; R599-E603 WeakPolarHBondContact O-CB 3.35Å; R599-E603 PolarHBondContact O-N 2.87Å; R599-E603 VanDerWaalsContact O-N 3.15Å; R600-E603 WeakPolarHBondContact O-CB 3.26Å; R600-E603 PolarHBondContact O-N 2.95Å; R600-E603 VanDerWaalsContact O-N 3.17Å; A601-E603 VanDerWaalsContact C-N 3.35Å; A601-E603 PolarHBondContact O-N 3.23Å; E603-S606 PolarHBondContact O-OG 3.02Å; E603-K607 VanDerWaalsContact O-CD 3.28Å; E603-K607 WeakPolarHBondContact O-CD 3.15Å; E603-K607 WeakPolarHBondContact O-CE 3.32Å; E603-K607 WeakPolarHBondContact O-CG 3.45Å; E603-K607 PolarHBondContact O-NZ 3.32Å; E603-K607 IonicContact OE1-NZ 2.89Å; E603-K607 PolarHBondContact OE1-NZ 3.01Å
604	L	95	Very high	94.2	Very high	11 Å²	11	52 Å²	52	6%	0.058	27%	0.266	C	S	.	.	H	α-helix	trans	-80.3	-42.1	174.9	-66.7	174	0	0	0	111.8	M581 Q584 F585 C588 R600 A601 R602 S606 K607	M581-L604 HydrophobicContact CE-CB 4.2Å; M581-L604 HydrophobicContact CE-CD2 3.86Å; Q584-L604 HydrophobicContact CB-CD1 4.27Å; Q584-L604 HydrophobicContact CB-CD2 3.79Å; Q584-L604 WeakPolarHBondContact O-CD1 3.47Å; F585-L604 HydrophobicContact CD1-CB 4.3Å; F585-L604 HydrophobicContact CD1-CD1 3.8Å; F585-L604 HydrophobicContact CE1-CB 3.64Å; F585-L604 HydrophobicContact CE1-CD1 4.03Å; F585-L604 HydrophobicContact CE1-CG 4.46Å; F585-L604 HydrophobicContact CG-CD1 4.32Å; F585-L604 HydrophobicContact CZ-CB 3.93Å; C588-L604 HydrophobicContact CB-CD1 3.81Å; R600-L604 WeakPolarHBondContact O-CG 3.45Å; R600-L604 PolarHBondContact O-N 3.41Å; A601-L604 PolarHBondContact O-N 2.99Å; R602-L604 VanDerWaalsContact C-N 3.33Å; R602-L604 PolarHBondContact O-N 3.34Å; L604-S606 VanDerWaalsContact C-N 3.29Å; L604-S606 PolarHBondContact O-N 2.97Å; L604-K607 WeakPolarHBondContact O-CB 3.35Å; L604-K607 PolarHBondContact O-N 3.26Å
605	V	95.3	Very high	94.4	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.024	24%	0.243	C	C	.	.	H	α-helix	trans	-62.2	-36.2	175.4	169.2	0	0	0	0	111.1	A601 R602 K607 L608 V613 V678 F679	A601-V605 WeakPolarHBondContact O-CB 3.48Å; A601-V605 VanDerWaalsContact O-CG2 3.29Å; A601-V605 WeakPolarHBondContact O-CG2 3.43Å; A601-V605 PolarHBondContact O-N 3.5Å; R602-V605 PolarHBondContact O-N 2.98Å; V605-K607 PolarHBondContact O-N 3.27Å; V605-K607 VanDerWaalsContact O-N 3.09Å; V605-L608 WeakPolarHBondContact O-CB 3.19Å; V605-L608 PolarHBondContact O-N 2.96Å; V605-L608 VanDerWaalsContact O-N 3.09Å; V605-V613 HydrophobicContact CG1-CG1 3.88Å; V605-V613 HydrophobicContact CG1-CG2 3.98Å; V605-V613 WeakPolarHBondContact O-CG2 3.48Å; V605-V678 HydrophobicContact CG2-CG1 3.95Å; V605-F679 HydrophobicContact CG1-CD1 3.89Å; V605-F679 HydrophobicContact CG1-CE1 4.03Å; V605-F679 HydrophobicContact CG2-CD1 4.45Å; V605-F679 HydrophobicContact CG2-CE1 3.9Å
606	S	93.3	Very high	94.6	Very high	88 Å²	88	43.1 Å²	43.1	62%	0.615	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-5.2	174.7	68.7	0	0	0	0	114.9	R602 E603 L604	R602-S606 WeakPolarHBondContact O-CB 3.44Å; R602-S606 PolarHBondContact O-N 3.47Å; R602-S606 PolarHBondContact O-OG 3.35Å; E603-S606 PolarHBondContact O-OG 3.02Å; L604-S606 VanDerWaalsContact C-N 3.29Å; L604-S606 PolarHBondContact O-N 2.97Å
607	K	93.5	Very high	94.7	Very high	104 Å²	104	41.2 Å²	41.2	45%	0.452	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-2.2	175.1	-62	162.6	-170.1	160.8	0	112.4	M581 E603 L604 V605	M581-K607 HydrophobicContact CE-CB 4.16Å; M581-K607 HydrophobicContact CE-CD 4.49Å; E603-K607 VanDerWaalsContact O-CD 3.28Å; E603-K607 WeakPolarHBondContact O-CD 3.15Å; E603-K607 WeakPolarHBondContact O-CE 3.32Å; E603-K607 WeakPolarHBondContact O-CG 3.45Å; E603-K607 PolarHBondContact O-NZ 3.32Å; E603-K607 IonicContact OE1-NZ 2.89Å; E603-K607 PolarHBondContact OE1-NZ 3.01Å; L604-K607 WeakPolarHBondContact O-CB 3.35Å; L604-K607 PolarHBondContact O-N 3.26Å; V605-K607 PolarHBondContact O-N 3.27Å; V605-K607 VanDerWaalsContact O-N 3.09Å
608	L	93.8	Very high	94.7	Very high	16 Å²	16	41.9 Å²	41.9	8%	0.084	20%	0.204	C	C	.	.	S	Bend	trans	-86.7	155.5	175.4	-57.2	179.3	0	0	0	111.1	F577 P578 M581 F585 V605 H612 V613 L616	F577-L608 HydrophobicContact CD1-CD1 4.26Å; F577-L608 HydrophobicContact CE1-CD1 4.34Å; P578-L608 VanDerWaalsContact CD-CD2 3.49Å; P578-L608 HydrophobicContact CG-CD2 4Å; M581-L608 HydrophobicContact CE-CD2 4.48Å; M581-L608 HydrophobicContact SD-CD2 3.79Å; F585-L608 HydrophobicContact CZ-CD1 4.41Å; F585-L608 HydrophobicContact CZ-CD2 4.36Å; V605-L608 WeakPolarHBondContact O-CB 3.19Å; V605-L608 PolarHBondContact O-N 2.96Å; V605-L608 VanDerWaalsContact O-N 3.09Å; L608-H612 HydrophobicContact CB-CB 4.25Å; L608-V613 HydrophobicContact CB-CG2 3.96Å; L608-L616 HydrophobicContact CD1-CD1 3.69Å
609	P	93.7	Very high	94.8	Very high	53 Å²	53	40.8 Å²	40.8	34%	0.344	20%	0.198	S	C	.	.			trans	-60.3	149.4	171.7	-21.6	33.3	0	0	0	112.3	S611 H612 V613	P609-S611 VanDerWaalsContact C-N 3.29Å; P609-S611 PolarHBondContact O-N 3.05Å; P609-H612 WeakPolarHBondContact O-CA 3.36Å; P609-H612 WeakPolarHBondContact O-CB 3.29Å; P609-H612 PolarHBondContact O-N 3.04Å; P609-V613 PolarHBondContact O-N 2.89Å
610	V	92.8	Very high	94.9	Very high	89 Å²	89	35 Å²	35	54%	0.539	18%	0.176	S	C	.	.	H	α-helix	trans	-56.2	-42.3	-176.1	172.9	0	0	0	0	112.3	H612 V613 L614 L683	V610-H612 VanDerWaalsContact C-N 3.31Å; V610-H612 PolarHBondContact O-N 3.32Å; V610-V613 PolarHBondContact O-N 2.91Å; V610-L614 HydrophobicContact CG1-CD1 4.07Å; V610-L614 HydrophobicContact CG1-CG 4.3Å; V610-L614 WeakPolarHBondContact O-CG 3.31Å; V610-L614 PolarHBondContact O-N 3.36Å; V610-L683 HydrophobicContact CG1-CD1 4.18Å; V610-L683 HydrophobicContact CG1-CD2 4.35Å
611	S	93.2	Very high	94.9	Very high	13 Å²	13	32.1 Å²	32.1	9%	0.091	17%	0.171	C	C	.	.	H	α-helix	trans	-48.6	-47.4	170.5	51.6	0	0	0	0	113.1	D494 P609 L615	D494-S611 WeakPolarHBondContact OD1-CB 3.26Å; D494-S611 PolarHBondContact OD1-OG 3.11Å; P609-S611 VanDerWaalsContact C-N 3.29Å; P609-S611 PolarHBondContact O-N 3.05Å; S611-L615 WeakPolarHBondContact O-CB 3.49Å; S611-L615 PolarHBondContact O-N 2.94Å
612	H	95.4	Very high	94.9	Very high	14 Å²	14	32 Å²	32	7%	0.065	17%	0.17	C	C	.	.	H	α-helix	trans	-69.8	-43.1	-179.4	-64.6	51.7	0	0	0	110.2	D494 I576 L608 P609 V610 L614 L615 L616	D494-H612 IonicContact OD1-CE1 3.68Å; D494-H612 PolarHBondContact OD1-CE1 3.27Å; D494-H612 IonicContact OD1-ND1 3.81Å; D494-H612 PolarHBondContact OD1-ND1 3.01Å; D494-H612 IonicContact OD2-CE1 2.74Å; D494-H612 PolarHBondContact OD2-CE1 2.73Å; I576-H612 HydrophobicContact CD1-CB 3.89Å; L608-H612 HydrophobicContact CB-CB 4.25Å; P609-H612 WeakPolarHBondContact O-CA 3.36Å; P609-H612 WeakPolarHBondContact O-CB 3.29Å; P609-H612 PolarHBondContact O-N 3.04Å; V610-H612 VanDerWaalsContact C-N 3.31Å; V610-H612 PolarHBondContact O-N 3.32Å; H612-L614 PolarHBondContact O-N 3.23Å; H612-L615 PolarHBondContact O-N 3.33Å; H612-L616 VanDerWaalsContact O-CB 3.25Å; H612-L616 WeakPolarHBondContact O-CB 3.47Å; H612-L616 WeakPolarHBondContact O-CD1 3.38Å; H612-L616 WeakPolarHBondContact O-CG 3.35Å; H612-L616 PolarHBondContact O-N 3.43Å
613	V	95.7	Very high	95	Very high	9 Å²	9	26.4 Å²	26.4	6%	0.055	15%	0.149	C	C	.	.	H	α-helix	trans	-62.9	-41.3	177.2	-176.9	0	0	0	0	111.4	V605 L608 P609 V610 R617 P680 L683	V605-V613 HydrophobicContact CG1-CG1 3.88Å; V605-V613 HydrophobicContact CG1-CG2 3.98Å; V605-V613 WeakPolarHBondContact O-CG2 3.48Å; L608-V613 HydrophobicContact CB-CG2 3.96Å; P609-V613 PolarHBondContact O-N 2.89Å; V610-V613 PolarHBondContact O-N 2.91Å; V613-R617 WeakPolarHBondContact O-CB 3.49Å; V613-R617 PolarHBondContact O-N 2.99Å; V613-P680 HydrophobicContact CG1-CG 3.84Å; V613-L683 HydrophobicContact CB-CD2 3.96Å; V613-L683 HydrophobicContact CG1-CD2 3.6Å
614	L	94.6	Very high	95	Very high	6 Å²	6	24 Å²	24	3%	0.031	14%	0.142	C	C	.	.	H	α-helix	trans	-63.8	-50	176	-73.2	176.9	0	0	0	112	E503 I504 V610 H612 L616 R617 F618 L683	E503-L614 HydrophobicContact CB-CD1 4.35Å; I504-L614 HydrophobicContact CD1-CB 4.3Å; I504-L614 HydrophobicContact CG1-CB 4.22Å; V610-L614 HydrophobicContact CG1-CD1 4.07Å; V610-L614 HydrophobicContact CG1-CG 4.3Å; V610-L614 WeakPolarHBondContact O-CG 3.31Å; V610-L614 PolarHBondContact O-N 3.36Å; H612-L614 PolarHBondContact O-N 3.23Å; L614-L616 PolarHBondContact O-N 2.88Å; L614-R617 VanDerWaalsContact CD2-NH2 3.26Å; L614-R617 PolarHBondContact O-N 3.05Å; L614-F618 WeakPolarHBondContact O-CB 3.35Å; L614-F618 PolarHBondContact O-N 3.36Å; L614-L683 HydrophobicContact CD2-CD2 3.94Å; L614-L683 HydrophobicContact CD2-CG 4.01Å; L614-L683 HydrophobicContact CG-CD2 4.16Å
615	L	95.4	Very high	95	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.9	-42.2	179.3	179	61.7	0	0	0	112	L493 I504 V508 Y568 F569 I576 S611 H612 L619	L493-L615 HydrophobicContact CD1-CD2 4.1Å; L493-L615 HydrophobicContact CD2-CB 4.26Å; L493-L615 HydrophobicContact CD2-CD2 3.62Å; L493-L615 HydrophobicContact CG-CD2 4.5Å; I504-L615 HydrophobicContact CG2-CD1 3.94Å; V508-L615 HydrophobicContact CB-CD1 4.17Å; V508-L615 HydrophobicContact CG1-CD1 3.72Å; V508-L615 HydrophobicContact CG2-CD1 3.95Å; Y568-L615 HydrophobicContact CE1-CD2 4.12Å; F569-L615 HydrophobicContact CD1-CD2 4.48Å; F569-L615 HydrophobicContact CE1-CD1 4.1Å; F569-L615 HydrophobicContact CE1-CD2 3.61Å; F569-L615 HydrophobicContact CE1-CG 3.71Å; F569-L615 HydrophobicContact CZ-CD1 3.78Å; F569-L615 HydrophobicContact CZ-CD2 4.14Å; F569-L615 HydrophobicContact CZ-CG 3.88Å; I576-L615 HydrophobicContact CD1-CD2 3.77Å; I576-L615 HydrophobicContact CD1-CG 4.47Å; I576-L615 HydrophobicContact CG1-CD2 4.44Å; S611-L615 WeakPolarHBondContact O-CB 3.49Å; S611-L615 PolarHBondContact O-N 2.94Å; H612-L615 PolarHBondContact O-N 3.33Å; L615-L619 WeakPolarHBondContact O-CB 3.47Å; L615-L619 PolarHBondContact O-N 2.95Å
616	L	96.5	Very high	95	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-66.6	-44.7	174.9	-70.1	167.7	0	0	0	111.7	I576 F577 L608 H612 L614 F618 L619 F620 F679	I576-L616 HydrophobicContact CG1-CD1 4.19Å; I576-L616 HydrophobicContact CG1-CD2 3.7Å; I576-L616 HydrophobicContact CG1-CG 3.76Å; I576-L616 HydrophobicContact CG2-CD2 4.03Å; F577-L616 HydrophobicContact CD1-CD1 4.24Å; F577-L616 HydrophobicContact CE1-CD1 3.64Å; F577-L616 HydrophobicContact CE1-CD2 4.16Å; F577-L616 HydrophobicContact CE2-CD2 3.96Å; F577-L616 HydrophobicContact CZ-CD1 3.98Å; F577-L616 HydrophobicContact CZ-CD2 3.64Å; F577-L616 HydrophobicContact CZ-CG 4.46Å; L608-L616 HydrophobicContact CD1-CD1 3.69Å; H612-L616 VanDerWaalsContact O-CB 3.25Å; H612-L616 WeakPolarHBondContact O-CB 3.47Å; H612-L616 WeakPolarHBondContact O-CD1 3.38Å; H612-L616 WeakPolarHBondContact O-CG 3.35Å; H612-L616 PolarHBondContact O-N 3.43Å; L614-L616 PolarHBondContact O-N 2.88Å; L616-F618 VanDerWaalsContact C-N 3.27Å; L616-F618 PolarHBondContact O-N 3.35Å; L616-L619 PolarHBondContact O-N 3.3Å; L616-F620 HydrophobicContact CB-CD2 4.42Å; L616-F620 HydrophobicContact CD2-CD2 4.27Å; L616-F620 HydrophobicContact CD2-CE2 3.86Å; L616-F620 WeakPolarHBondContact O-CB 3.49Å; L616-F620 WeakPolarHBondContact O-CD2 3.39Å; L616-F620 PolarHBondContact O-N 2.95Å; L616-F679 HydrophobicContact CB-CD1 4.28Å; L616-F679 HydrophobicContact CB-CE1 3.58Å; L616-F679 HydrophobicContact CB-CZ 4.01Å; L616-F679 HydrophobicContact CD1-CE1 4.4Å
617	R	95	Very high	95.1	Very high	16 Å²	16	20.8 Å²	20.8	6%	0.06	12%	0.119	C	C	.	.	H	α-helix	trans	-56.4	-43	176.2	-177	167.2	63.7	40.7	-16.6	111.3	V613 L614 A621 F679 P680 L683 P686	V613-R617 WeakPolarHBondContact O-CB 3.49Å; V613-R617 PolarHBondContact O-N 2.99Å; L614-R617 VanDerWaalsContact CD2-NH2 3.26Å; L614-R617 PolarHBondContact O-N 3.05Å; R617-A621 VanDerWaalsContact O-CB 3.22Å; R617-A621 WeakPolarHBondContact O-CB 3.35Å; R617-A621 PolarHBondContact O-N 3.37Å; R617-F679 HydrophobicContact CB-CB 3.88Å; R617-F679 HydrophobicContact CB-CD1 4.44Å; R617-F679 HydrophobicContact CB-CG 4.24Å; R617-F679 HydrophobicContact CG-CB 3.82Å; R617-P680 WeakPolarHBondContact CD-O 3.32Å; R617-P680 PolarHBondContact NE-O 3.47Å; R617-P680 VanDerWaalsContact NE-O 3.11Å; R617-L683 PolarHBondContact NH2-O 3.12Å; R617-P686 PolarHBondContact NH1-O 3.33Å; R617-P686 PolarHBondContact NH2-O 2.97Å
618	F	95.6	Very high	95.1	Very high	17 Å²	17	21 Å²	21	8%	0.075	12%	0.121	C	C	.	.	H	α-helix	trans	-69.8	-44	179.2	-163.7	-93	0	0	0	112.2	I504 V508 I512 L614 L616 F622 Y688	I504-F618 HydrophobicContact CD1-CB 3.5Å; I504-F618 HydrophobicContact CD1-CD2 3.97Å; I504-F618 HydrophobicContact CD1-CG 3.77Å; V508-F618 HydrophobicContact CG1-CD1 4.31Å; I512-F618 HydrophobicContact CB-CE1 3.95Å; I512-F618 HydrophobicContact CD1-CD1 3.77Å; I512-F618 HydrophobicContact CD1-CE1 3.9Å; I512-F618 HydrophobicContact CG2-CD1 4.47Å; I512-F618 HydrophobicContact CG2-CE1 3.77Å; I512-F618 HydrophobicContact CG2-CZ 4.39Å; L614-F618 WeakPolarHBondContact O-CB 3.35Å; L614-F618 PolarHBondContact O-N 3.36Å; L616-F618 VanDerWaalsContact C-N 3.27Å; L616-F618 PolarHBondContact O-N 3.35Å; F618-F622 PolarHBondContact O-N 3.42Å; F618-Y688 HydrophobicContact CZ-CD2 4.35Å
619	L	96.9	Very high	95.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.7	-53	176.2	177.6	66.6	0	0	0	112.2	I512 F569 L615 L616 A621 F622 L623 F644 L648	I512-L619 HydrophobicContact CD1-CD1 4.38Å; F569-L619 HydrophobicContact CE1-CD2 4.16Å; F569-L619 HydrophobicContact CE2-CD1 4.09Å; F569-L619 HydrophobicContact CE2-CD2 3.96Å; F569-L619 HydrophobicContact CE2-CG 4.49Å; F569-L619 HydrophobicContact CZ-CB 4.26Å; F569-L619 HydrophobicContact CZ-CD1 4.38Å; F569-L619 HydrophobicContact CZ-CD2 3.75Å; F569-L619 HydrophobicContact CZ-CG 4.35Å; L615-L619 WeakPolarHBondContact O-CB 3.47Å; L615-L619 PolarHBondContact O-N 2.95Å; L616-L619 PolarHBondContact O-N 3.3Å; L619-A621 VanDerWaalsContact C-N 3.34Å; L619-A621 PolarHBondContact O-N 2.93Å; L619-F622 PolarHBondContact O-N 3.24Å; L619-L623 HydrophobicContact CD1-CD1 4.09Å; L619-L623 HydrophobicContact CD1-CG 4.13Å; L619-L623 HydrophobicContact CD2-CD1 4.39Å; L619-L623 HydrophobicContact CG-CD1 3.92Å; L619-L623 HydrophobicContact CG-CG 4.29Å; L619-L623 WeakPolarHBondContact O-CG 3.34Å; L619-L623 PolarHBondContact O-N 2.96Å; L619-F644 HydrophobicContact CD1-CE1 4.12Å; L619-F644 HydrophobicContact CD1-CZ 4.31Å; L619-F644 HydrophobicContact CD2-CD1 4.39Å; L619-F644 HydrophobicContact CD2-CE1 4.31Å; L619-L648 HydrophobicContact CD2-CD1 4.09Å; L619-L648 HydrophobicContact CD2-CD2 3.79Å
620	F	96.9	Very high	95	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-69.7	-30.1	-174.2	-82.5	-82.6	0	0	0	112.7	F577 L616 L623 S624 L648 V668 L671 I672 A675 F679	F577-F620 HydrophobicContact CE2-CE2 4.27Å; F577-F620 HydrophobicContact CE2-CZ 4.41Å; F577-F620 HydrophobicContact CZ-CE2 4.06Å; F577-F620 HydrophobicContact CZ-CZ 4.43Å; L616-F620 HydrophobicContact CB-CD2 4.42Å; L616-F620 HydrophobicContact CD2-CD2 4.27Å; L616-F620 HydrophobicContact CD2-CE2 3.86Å; L616-F620 WeakPolarHBondContact O-CB 3.49Å; L616-F620 WeakPolarHBondContact O-CD2 3.39Å; L616-F620 PolarHBondContact O-N 2.95Å; F620-L623 PolarHBondContact O-N 3.47Å; F620-S624 WeakPolarHBondContact O-CB 3.45Å; F620-S624 PolarHBondContact O-N 3.44Å; F620-L648 HydrophobicContact CE2-CD1 4.07Å; F620-L648 HydrophobicContact CZ-CD1 3.85Å; F620-V668 HydrophobicContact CE1-CG1 3.99Å; F620-V668 HydrophobicContact CZ-CG1 4.15Å; F620-L671 HydrophobicContact CD1-CB 3.82Å; F620-L671 WeakPolarHBondContact CD1-O 3.43Å; F620-L671 HydrophobicContact CE1-CB 3.36Å; F620-L671 HydrophobicContact CE1-CD1 4.32Å; F620-L671 HydrophobicContact CE1-CG 4.5Å; F620-L671 HydrophobicContact CE2-CD1 4.36Å; F620-L671 HydrophobicContact CZ-CB 3.78Å; F620-L671 HydrophobicContact CZ-CD1 3.86Å; F620-L671 HydrophobicContact CZ-CG 4.5Å; F620-I672 HydrophobicContact CD1-CB 4.47Å; F620-I672 HydrophobicContact CD1-CG1 3.74Å; F620-I672 HydrophobicContact CE1-CG1 3.8Å; F620-A675 HydrophobicContact CB-CB 4.07Å; F620-F679 HydrophobicContact CB-CD2 4.1Å; F620-F679 HydrophobicContact CB-CE2 3.6Å; F620-F679 HydrophobicContact CB-CZ 4.39Å; F620-F679 HydrophobicContact CD1-CE2 4.47Å; F620-F679 AromaticContact CD2-CE2 3.7Å; F620-F679 HydrophobicContact CD2-CE2 3.7Å; F620-F679 AromaticContact CD2-CZ 3.63Å; F620-F679 HydrophobicContact CD2-CZ 3.63Å; F620-F679 HydrophobicContact CE2-CZ 4.16Å; F620-F679 AromaticContact CG-CE2 3.67Å; F620-F679 HydrophobicContact CG-CE2 3.67Å; F620-F679 HydrophobicContact CG-CZ 4.1Å
621	A	95	Very high	95	Very high	29 Å²	29	23.9 Å²	23.9	24%	0.24	13%	0.131	C	C	.	.	H	α-helix	trans	-64.3	-41.7	170.1	0	0	0	0	0	112.2	R617 L619 H625 Y688	R617-A621 VanDerWaalsContact O-CB 3.22Å; R617-A621 WeakPolarHBondContact O-CB 3.35Å; R617-A621 PolarHBondContact O-N 3.37Å; L619-A621 VanDerWaalsContact C-N 3.34Å; L619-A621 PolarHBondContact O-N 2.93Å; A621-H625 PolarHBondContact O-N 3.34Å; A621-Y688 HydrophobicContact CB-CD1 3.86Å; A621-Y688 HydrophobicContact CB-CG 4.34Å
622	F	96	Very high	95	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66.3	-43.4	173.2	164.8	-103.7	0	0	0	112.6	I512 L515 L520 F526 F618 L619 S624 H625 L626 Y688	I512-F622 HydrophobicContact CB-CG 4.45Å; I512-F622 HydrophobicContact CD1-CB 4.3Å; I512-F622 HydrophobicContact CD1-CD1 4.19Å; I512-F622 HydrophobicContact CD1-CG 4.36Å; I512-F622 HydrophobicContact CG1-CD1 3.97Å; I512-F622 HydrophobicContact CG1-CE1 4.37Å; I512-F622 HydrophobicContact CG1-CG 4.16Å; I512-F622 HydrophobicContact CG2-CB 3.75Å; I512-F622 HydrophobicContact CG2-CD1 4.32Å; I512-F622 HydrophobicContact CG2-CD2 3.7Å; I512-F622 HydrophobicContact CG2-CE2 4.42Å; I512-F622 HydrophobicContact CG2-CG 3.64Å; L515-F622 HydrophobicContact CB-CE2 4.25Å; L515-F622 HydrophobicContact CB-CZ 3.89Å; L515-F622 HydrophobicContact CD1-CZ 4.4Å; L520-F622 HydrophobicContact CD2-CE2 4.08Å; F526-F622 AromaticContact CE2-CE1 3.7Å; F526-F622 HydrophobicContact CE2-CE1 3.7Å; F526-F622 HydrophobicContact CE2-CZ 4.11Å; F526-F622 AromaticContact CZ-CE1 3.74Å; F526-F622 HydrophobicContact CZ-CE1 3.74Å; F526-F622 HydrophobicContact CZ-CZ 4.31Å; F618-F622 PolarHBondContact O-N 3.42Å; L619-F622 PolarHBondContact O-N 3.24Å; F622-S624 VanDerWaalsContact C-N 3.31Å; F622-S624 PolarHBondContact O-N 3.39Å; F622-H625 PolarHBondContact O-N 3.01Å; F622-L626 HydrophobicContact CZ-CD2 4.49Å; F622-L626 WeakPolarHBondContact O-CB 3.46Å; F622-L626 PolarHBondContact O-N 3.48Å; F622-Y688 HydrophobicContact CB-CD1 4.34Å; F622-Y688 HydrophobicContact CB-CD2 4.18Å; F622-Y688 HydrophobicContact CB-CE1 4.15Å; F622-Y688 HydrophobicContact CB-CE2 4.01Å; F622-Y688 HydrophobicContact CB-CG 4.33Å; F622-Y688 HydrophobicContact CD2-CE2 4Å; F622-Y688 AromaticContact CD2-CZ 3.87Å; F622-Y688 WeakPolarHBondContact CD2-OH 3.43Å; F622-Y688 HydrophobicContact CG-CE2 4.46Å
623	L	96.7	Very high	94.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.7	-34.9	177.4	-66.5	178.3	0	0	0	112.2	F526 L619 F620 L626 C627 L640 F644 I672	F526-L623 HydrophobicContact CE2-CD2 4.4Å; L619-L623 HydrophobicContact CD1-CD1 4.09Å; L619-L623 HydrophobicContact CD1-CG 4.13Å; L619-L623 HydrophobicContact CD2-CD1 4.39Å; L619-L623 HydrophobicContact CG-CD1 3.92Å; L619-L623 HydrophobicContact CG-CG 4.29Å; L619-L623 WeakPolarHBondContact O-CG 3.34Å; L619-L623 PolarHBondContact O-N 2.96Å; F620-L623 PolarHBondContact O-N 3.47Å; L623-L626 PolarHBondContact O-N 2.68Å; L623-C627 PolarHBondContact O-N 3.08Å; L623-C627 PolarHBondContact O-SG 2.79Å; L623-L640 HydrophobicContact CB-CD1 4.49Å; L623-L640 HydrophobicContact CD2-CD1 4.28Å; L623-L640 HydrophobicContact CD2-CD2 4.32Å; L623-F644 HydrophobicContact CD1-CD2 4.06Å; L623-F644 HydrophobicContact CD1-CE2 4.18Å; L623-F644 HydrophobicContact CD1-CG 4.3Å; L623-F644 HydrophobicContact CD2-CD2 4.16Å; L623-F644 HydrophobicContact CD2-CE2 3.61Å; L623-F644 HydrophobicContact CD2-CZ 4.1Å; L623-I672 HydrophobicContact CB-CD1 4.4Å; L623-I672 HydrophobicContact CB-CG1 4.13Å; L623-I672 HydrophobicContact CD1-CD1 4.43Å; L623-I672 HydrophobicContact CD1-CG1 4.41Å
624	S	95.5	Very high	94.8	Very high	35 Å²	35	30.4 Å²	30.4	25%	0.245	16%	0.161	C	C	.	.	H	α-helix	trans	-64.7	-47.9	172	-173	0	0	0	0	111.4	F620 F622 L626 C627 E628	F620-S624 WeakPolarHBondContact O-CB 3.45Å; F620-S624 PolarHBondContact O-N 3.44Å; F622-S624 VanDerWaalsContact C-N 3.31Å; F622-S624 PolarHBondContact O-N 3.39Å; S624-L626 VanDerWaalsContact C-N 3.29Å; S624-L626 PolarHBondContact O-N 3.03Å; S624-C627 WeakPolarHBondContact O-CB 3.4Å; S624-C627 PolarHBondContact O-N 3.43Å; S624-E628 PolarHBondContact O-N 2.98Å
625	H	94.8	Very high	94.8	Very high	14 Å²	14	30.1 Å²	30.1	7%	0.065	16%	0.159	C	C	.	.	H	α-helix	trans	-58.4	-39.2	174.4	-175.3	-153	0	0	0	112.6	A621 F622 C627 E628 F629 Y688 K690	A621-H625 PolarHBondContact O-N 3.34Å; F622-H625 PolarHBondContact O-N 3.01Å; H625-C627 VanDerWaalsContact C-N 3.26Å; H625-C627 PolarHBondContact O-N 3.05Å; H625-E628 IonicContact CD2-OE1 2.58Å; H625-E628 WeakPolarHBondContact O-CB 3.32Å; H625-E628 PolarHBondContact O-N 3.03Å; H625-E628 VanDerWaalsContact O-N 3.15Å; H625-F629 AromaticContact CD2-CE2 3.92Å; H625-F629 AromaticContact NE2-CE2 3.53Å; H625-Y688 HydrophobicContact CB-CE1 3.86Å; H625-Y688 AromaticContact ND1-CZ 3.84Å; H625-Y688 PolarHBondContact ND1-OH 3.37Å; H625-K690 VanDerWaalsContact CD2-CE 3.43Å; H625-K690 WeakPolarHBondContact CD2-CE 3.4Å; H625-K690 WeakPolarHBondContact NE2-CE 3.47Å
626	L	94.5	Very high	94.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.8	-30.5	176.7	-175.2	65.4	0	0	0	112.7	L520 L525 F526 F622 L623 S624 E628 F629 N633 L640	L520-L626 HydrophobicContact CD2-CD1 3.85Å; L525-L626 HydrophobicContact CD2-CD1 3.99Å; L525-L626 HydrophobicContact CD2-CD2 4.12Å; F526-L626 HydrophobicContact CD2-CD2 3.87Å; F526-L626 HydrophobicContact CE2-CD2 3.8Å; F622-L626 HydrophobicContact CZ-CD2 4.49Å; F622-L626 WeakPolarHBondContact O-CB 3.46Å; F622-L626 PolarHBondContact O-N 3.48Å; L623-L626 PolarHBondContact O-N 2.68Å; S624-L626 VanDerWaalsContact C-N 3.29Å; S624-L626 PolarHBondContact O-N 3.03Å; L626-E628 VanDerWaalsContact C-N 3.29Å; L626-E628 PolarHBondContact O-N 3.08Å; L626-F629 PolarHBondContact O-N 3.03Å; L626-N633 WeakPolarHBondContact CD1-ND2 3.42Å; L626-N633 PolarHBondContact O-ND2 3.01Å; L626-L640 HydrophobicContact CD2-CD1 4.06Å; L626-L640 HydrophobicContact CD2-CD2 3.9Å; L626-L640 HydrophobicContact CG-CD1 4.45Å
627	C	94.7	Very high	94.7	Very high	22 Å²	22	37 Å²	37	15%	0.149	19%	0.194	C	C	.	.	H	α-helix	trans	-70.6	-22.2	175.8	-65.3	0	0	0	0	113.2	L623 S624 H625 F629 A630 P637 L640	L623-C627 PolarHBondContact O-N 3.08Å; L623-C627 PolarHBondContact O-SG 2.79Å; S624-C627 WeakPolarHBondContact O-CB 3.4Å; S624-C627 PolarHBondContact O-N 3.43Å; H625-C627 VanDerWaalsContact C-N 3.26Å; H625-C627 PolarHBondContact O-N 3.05Å; C627-F629 PolarHBondContact O-N 3.44Å; C627-A630 WeakPolarHBondContact O-CB 3.38Å; C627-A630 PolarHBondContact O-N 2.97Å; C627-A630 VanDerWaalsContact O-N 3.11Å; C627-P637 HydrophobicContact CB-CG 4.13Å; C627-L640 VanDerWaalsContact SG-CD1 3.56Å
628	E	93.8	Very high	94.7	Very high	109 Å²	109	40.2 Å²	40.2	51%	0.509	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-21.2	175.2	-59.9	-176.3	-139	0	0	112.4	S624 H625 L626 K690	S624-E628 PolarHBondContact O-N 2.98Å; H625-E628 IonicContact CD2-OE1 2.58Å; H625-E628 WeakPolarHBondContact O-CB 3.32Å; H625-E628 PolarHBondContact O-N 3.03Å; H625-E628 VanDerWaalsContact O-N 3.15Å; L626-E628 VanDerWaalsContact C-N 3.29Å; L626-E628 PolarHBondContact O-N 3.08Å; E628-K690 WeakPolarHBondContact OE1-CE 3.36Å; E628-K690 IonicContact OE1-NZ 3.07Å; E628-K690 PolarHBondContact OE1-NZ 3.12Å; E628-K690 IonicContact OE2-NZ 2.84Å; E628-K690 PolarHBondContact OE2-NZ 3.06Å
629	F	93.9	Very high	94.7	Very high	46 Å²	46	41.5 Å²	41.5	20%	0.202	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	17.5	174.9	-63.1	-90.4	0	0	0	112.6	L520 R521 H625 L626 C627 D631 E632 N633	L520-F629 HydrophobicContact CB-CD2 4.05Å; L520-F629 HydrophobicContact CB-CE2 4.31Å; L520-F629 HydrophobicContact CB-CG 4.3Å; L520-F629 HydrophobicContact CD1-CD2 4.27Å; L520-F629 HydrophobicContact CD1-CE2 3.8Å; L520-F629 HydrophobicContact CD1-CZ 4.29Å; R521-F629 HydrophobicContact CG-CD1 4.26Å; H625-F629 AromaticContact CD2-CE2 3.92Å; H625-F629 AromaticContact NE2-CE2 3.53Å; L626-F629 PolarHBondContact O-N 3.03Å; C627-F629 PolarHBondContact O-N 3.44Å; F629-D631 PolarHBondContact O-N 3.12Å; F629-E632 PolarHBondContact O-N 3.37Å; F629-N633 PolarHBondContact O-N 3.48Å; F629-N633 PolarHBondContact O-ND2 3.3Å; F629-N633 PolarHBondContact O-OD1 2.96Å
630	A	92.8	Very high	94.7	Very high	19 Å²	19	41.5 Å²	41.5	16%	0.157	22%	0.217	C	C	.	.	H	α-helix	trans	-55.3	-34.6	-177.1	0	0	0	0	0	113.5	C627 E632 N633 M634 E636	C627-A630 WeakPolarHBondContact O-CB 3.38Å; C627-A630 PolarHBondContact O-N 2.97Å; C627-A630 VanDerWaalsContact O-N 3.11Å; A630-E632 VanDerWaalsContact C-N 3.26Å; A630-E632 PolarHBondContact O-N 3.35Å; A630-N633 WeakPolarHBondContact CA-OD1 3.48Å; A630-M634 VanDerWaalsContact O-CA 3.29Å; A630-M634 WeakPolarHBondContact O-CA 3.48Å; A630-M634 PolarHBondContact O-N 2.77Å; A630-E636 HydrophobicContact CB-CG 4.37Å
631	D	91.9	Very high	94.6	Very high	152 Å²	152	41.5 Å²	41.5	81%	0.813	22%	0.217	S	C	*	.	H	α-helix	trans	-62.6	-30.1	176	-66.7	-26.2	0	0	0	113.1	F629	F629-D631 PolarHBondContact O-N 3.12Å
632	E	93.2	Very high	94.7	Very high	79 Å²	79	43.8 Å²	43.8	37%	0.369	23%	0.225	S	C	.	.	H	α-helix	trans	-93.5	-46.1	177.9	-61.7	-166.4	-119.8	0	0	111.8	R521 Q523 F629 A630	R521-E632 WeakPolarHBondContact CD-OE2 3.41Å; R521-E632 HydrophobicContact CG-CB 4.47Å; R521-E632 WeakPolarHBondContact CG-OE2 3.37Å; R521-E632 IonicContact CZ-OE1 3.83Å; R521-E632 VanDerWaalsContact CZ-OE1 3.25Å; R521-E632 IonicContact CZ-OE2 2.76Å; R521-E632 IonicContact NE-OE1 3.75Å; R521-E632 PolarHBondContact NE-OE1 3.01Å; R521-E632 IonicContact NE-OE2 3.44Å; R521-E632 PolarHBondContact NE-OE2 2.71Å; R521-E632 IonicContact NH2-OE1 2.81Å; R521-E632 PolarHBondContact NH2-OE1 3.11Å; R521-E632 IonicContact NH2-OE2 3.26Å; Q523-E632 VanDerWaalsContact CG-O 3.28Å; Q523-E632 WeakPolarHBondContact CG-O 3.49Å; Q523-E632 PolarHBondContact NE2-O 3.12Å; F629-E632 PolarHBondContact O-N 3.37Å; A630-E632 VanDerWaalsContact C-N 3.26Å; A630-E632 PolarHBondContact O-N 3.35Å
633	N	93.1	Very high	94.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-94.1	-8.8	-169.7	74.6	28	0	0	0	114.7	L520 Q523 G524 L626 F629 A630 M635	L520-N633 WeakPolarHBondContact O-CB 3.47Å; L520-N633 PolarHBondContact O-ND2 3.02Å; Q523-N633 CarbonylContact C-O 3.57Å; Q523-N633 WeakPolarHBondContact CA-O 3.35Å; G524-N633 PolarHBondContact N-O 3.42Å; L626-N633 WeakPolarHBondContact CD1-ND2 3.42Å; L626-N633 PolarHBondContact O-ND2 3.01Å; F629-N633 PolarHBondContact O-N 3.48Å; F629-N633 PolarHBondContact O-ND2 3.3Å; F629-N633 PolarHBondContact O-OD1 2.96Å; A630-N633 WeakPolarHBondContact CA-OD1 3.48Å; N633-M635 VanDerWaalsContact C-N 3.25Å; N633-M635 PolarHBondContact O-N 3.4Å; N633-M635 WeakPolarHBondContact OD1-CA 3.45Å; N633-M635 WeakPolarHBondContact OD1-CB 3.49Å; N633-M635 PolarHBondContact OD1-N 2.74Å
634	M	93.7	Very high	94.7	Very high	94 Å²	94	44.8 Å²	44.8	46%	0.463	23%	0.231	S	C	.	.			trans	61.7	23.9	178.4	-53.6	-77.2	160.8	0	0	114.8	A630 N639	A630-M634 VanDerWaalsContact O-CA 3.29Å; A630-M634 WeakPolarHBondContact O-CA 3.48Å; A630-M634 PolarHBondContact O-N 2.77Å; M634-N639 PolarHBondContact O-ND2 3.23Å
635	M	94.9	Very high	94.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.22	C	C	.	.			trans	-119	68.4	-176.4	-66.5	-58.1	-61.4	0	0	112.8	L525 R527 N633 N639 L640	L525-M635 WeakPolarHBondContact O-CE 3.45Å; L525-M635 WeakPolarHBondContact O-CG 3.34Å; R527-M635 HydrophobicContact CB-CE 3.95Å; R527-M635 HydrophobicContact CB-SD 3.74Å; N633-M635 VanDerWaalsContact C-N 3.25Å; N633-M635 PolarHBondContact O-N 3.4Å; N633-M635 WeakPolarHBondContact OD1-CA 3.45Å; N633-M635 WeakPolarHBondContact OD1-CB 3.49Å; N633-M635 PolarHBondContact OD1-N 2.74Å; M635-N639 HydrophobicContact CE-CB 3.67Å; M635-N639 HydrophobicContact SD-CB 3.95Å; M635-L640 HydrophobicContact CB-CD2 4.23Å; M635-L640 HydrophobicContact CB-CG 4.21Å; M635-L640 HydrophobicContact CE-CD2 3.63Å; M635-L640 HydrophobicContact CE-CG 4.02Å
636	E	95.1	Very high	94.6	Very high	115 Å²	115	45.2 Å²	45.2	54%	0.537	24%	0.235	S	C	.	.			trans	-52.7	160.1	166	-66.5	178.3	-165.1	0	0	113.3	A630 H638 N639 L640	A630-E636 HydrophobicContact CB-CG 4.37Å; E636-H638 PolarHBondContact O-N 3.45Å; E636-N639 WeakPolarHBondContact O-CB 3.46Å; E636-N639 PolarHBondContact O-N 3.1Å; E636-L640 PolarHBondContact O-N 2.66Å; E636-L640 VanDerWaalsContact O-N 3.09Å
637	P	95.6	Very high	94.6	Very high	30 Å²	30	46 Å²	46	20%	0.195	24%	0.24	C	C	.	.	H	α-helix	trans	-50.8	-34.5	176.7	-27.8	32.4	0	0	0	114.7	C627 A641 R669 I672 I673	C627-P637 HydrophobicContact CB-CG 4.13Å; P637-A641 VanDerWaalsContact O-CB 3.24Å; P637-A641 WeakPolarHBondContact O-CB 3.47Å; P637-A641 PolarHBondContact O-N 2.8Å; P637-R669 HydrophobicContact CB-CG 4.12Å; P637-I672 HydrophobicContact CB-CB 4.32Å; P637-I672 HydrophobicContact CB-CG2 4.01Å; P637-I672 HydrophobicContact CG-CG2 4.24Å; P637-I673 HydrophobicContact CB-CD1 4.24Å; P637-I673 HydrophobicContact CB-CG1 4.02Å; P637-I673 HydrophobicContact CG-CD1 4.43Å; P637-I673 HydrophobicContact CG-CG1 4Å
638	H	94.4	Very high	94.7	Very high	84 Å²	84	45 Å²	45	39%	0.389	23%	0.232	S	C	.	.	H	α-helix	trans	-70.5	-38.9	176.9	-173.8	81.6	0	0	0	112.4	E636 A641 I642 R669	E636-H638 PolarHBondContact O-N 3.45Å; H638-A641 PolarHBondContact O-N 3.02Å; H638-I642 WeakPolarHBondContact O-CG1 3.47Å; H638-I642 PolarHBondContact O-N 3.23Å; H638-R669 HydrophobicContact CB-CG 4.45Å
639	N	95.6	Very high	94.8	Very high	44 Å²	44	39.8 Å²	39.8	24%	0.235	21%	0.208	C	C	.	.	H	α-helix	trans	-67.1	-39.8	177.4	-68.5	-16.6	0	0	0	111.3	M634 M635 E636 C643	M634-N639 PolarHBondContact O-ND2 3.23Å; M635-N639 HydrophobicContact CE-CB 3.67Å; M635-N639 HydrophobicContact SD-CB 3.95Å; E636-N639 WeakPolarHBondContact O-CB 3.46Å; E636-N639 PolarHBondContact O-N 3.1Å; N639-C643 PolarHBondContact O-N 3Å; N639-C643 PolarHBondContact O-SG 2.86Å
640	L	96.6	Very high	94.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-68.3	-38.3	172.7	-69.1	171.8	0	0	0	111.8	F526 L623 L626 C627 M635 E636 I642 C643 F644 I672	F526-L640 HydrophobicContact CB-CD2 4.29Å; F526-L640 HydrophobicContact CD2-CD2 3.96Å; F526-L640 HydrophobicContact CG-CD2 4.49Å; L623-L640 HydrophobicContact CB-CD1 4.49Å; L623-L640 HydrophobicContact CD2-CD1 4.28Å; L623-L640 HydrophobicContact CD2-CD2 4.32Å; L626-L640 HydrophobicContact CD2-CD1 4.06Å; L626-L640 HydrophobicContact CD2-CD2 3.9Å; L626-L640 HydrophobicContact CG-CD1 4.45Å; C627-L640 VanDerWaalsContact SG-CD1 3.56Å; M635-L640 HydrophobicContact CB-CD2 4.23Å; M635-L640 HydrophobicContact CB-CG 4.21Å; M635-L640 HydrophobicContact CE-CD2 3.63Å; M635-L640 HydrophobicContact CE-CG 4.02Å; E636-L640 PolarHBondContact O-N 2.66Å; E636-L640 VanDerWaalsContact O-N 3.09Å; L640-I642 VanDerWaalsContact C-N 3.35Å; L640-I642 PolarHBondContact O-N 2.95Å; L640-C643 WeakPolarHBondContact O-CA 3.37Å; L640-C643 WeakPolarHBondContact O-CB 3.33Å; L640-C643 PolarHBondContact O-N 3.33Å; L640-F644 PolarHBondContact O-N 2.91Å; L640-I672 HydrophobicContact CB-CD1 3.8Å
641	A	96.1	Very high	94.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-38.8	176.2	0	0	0	0	0	113.2	P637 H638 C643 F644 G645 N665 V668 R669	P637-A641 VanDerWaalsContact O-CB 3.24Å; P637-A641 WeakPolarHBondContact O-CB 3.47Å; P637-A641 PolarHBondContact O-N 2.8Å; H638-A641 PolarHBondContact O-N 3.02Å; A641-C643 VanDerWaalsContact C-N 3.26Å; A641-C643 PolarHBondContact O-N 3.45Å; A641-F644 PolarHBondContact O-N 3.37Å; A641-G645 WeakPolarHBondContact O-CA 3.22Å; A641-G645 PolarHBondContact O-N 3.01Å; A641-N665 VanDerWaalsContact CB-O 3.31Å; A641-N665 WeakPolarHBondContact CB-O 3.47Å; A641-N665 PolarHBondContact O-OD1 3.17Å; A641-V668 HydrophobicContact CB-CB 4.03Å; A641-V668 HydrophobicContact CB-CG1 4Å; A641-R669 HydrophobicContact CB-CB 3.99Å
642	I	95.2	Very high	94.7	Very high	76 Å²	76	33.7 Å²	33.7	39%	0.39	18%	0.179	S	C	.	.	H	α-helix	trans	-61.3	-35.5	171.6	-66.8	161.2	0	0	0	111.5	H638 L640 N665	H638-I642 WeakPolarHBondContact O-CG1 3.47Å; H638-I642 PolarHBondContact O-N 3.23Å; L640-I642 VanDerWaalsContact C-N 3.35Å; L640-I642 PolarHBondContact O-N 2.95Å; I642-N665 WeakPolarHBondContact CG1-ND2 3.42Å
643	C	96.1	Very high	94.2	Very high	21 Å²	21	39.3 Å²	39.3	14%	0.142	21%	0.205	C	C	.	.	H	α-helix	trans	-77.6	-33.8	-179.2	-62.2	0	0	0	0	113.3	F526 N639 L640 A641 T647	F526-C643 HydrophobicContact CB-CB 4.34Å; N639-C643 PolarHBondContact O-N 3Å; N639-C643 PolarHBondContact O-SG 2.86Å; L640-C643 WeakPolarHBondContact O-CA 3.37Å; L640-C643 WeakPolarHBondContact O-CB 3.33Å; L640-C643 PolarHBondContact O-N 3.33Å; A641-C643 VanDerWaalsContact C-N 3.26Å; A641-C643 PolarHBondContact O-N 3.45Å; C643-T647 PolarHBondContact O-OG1 3.43Å
644	F	97.2	Very high	93.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-102.8	-24.7	-174.1	-83.7	-82.8	0	0	0	114.6	F526 K566 L619 L623 L640 A641 T647 L648 V668	F526-F644 HydrophobicContact CB-CE2 4.18Å; F526-F644 AromaticContact CD1-CE2 3.7Å; F526-F644 HydrophobicContact CD1-CE2 3.7Å; F526-F644 AromaticContact CD1-CZ 3.66Å; F526-F644 HydrophobicContact CD1-CZ 3.66Å; F526-F644 HydrophobicContact CD2-CE2 4.11Å; F526-F644 HydrophobicContact CE1-CE2 4.09Å; F526-F644 AromaticContact CE1-CZ 3.68Å; F526-F644 HydrophobicContact CE1-CZ 3.68Å; F526-F644 HydrophobicContact CE2-CE2 4.48Å; F526-F644 AromaticContact CG-CE2 3.72Å; F526-F644 HydrophobicContact CG-CE2 3.72Å; F526-F644 HydrophobicContact CG-CZ 4.16Å; F526-F644 HydrophobicContact CZ-CE2 4.47Å; F526-F644 HydrophobicContact CZ-CZ 4.21Å; K566-F644 HydrophobicContact CG-CE1 4.01Å; K566-F644 HydrophobicContact CG-CZ 3.95Å; L619-F644 HydrophobicContact CD1-CE1 4.12Å; L619-F644 HydrophobicContact CD1-CZ 4.31Å; L619-F644 HydrophobicContact CD2-CD1 4.39Å; L619-F644 HydrophobicContact CD2-CE1 4.31Å; L623-F644 HydrophobicContact CD1-CD2 4.06Å; L623-F644 HydrophobicContact CD1-CE2 4.18Å; L623-F644 HydrophobicContact CD1-CG 4.3Å; L623-F644 HydrophobicContact CD2-CD2 4.16Å; L623-F644 HydrophobicContact CD2-CE2 3.61Å; L623-F644 HydrophobicContact CD2-CZ 4.1Å; L640-F644 PolarHBondContact O-N 2.91Å; A641-F644 PolarHBondContact O-N 3.37Å; F644-T647 CarbonylContact O-C 3.58Å; F644-T647 WeakPolarHBondContact O-CA 3.23Å; F644-T647 WeakPolarHBondContact O-CB 3.21Å; F644-T647 PolarHBondContact O-N 3.42Å; F644-L648 HydrophobicContact CB-CD1 3.9Å; F644-L648 HydrophobicContact CB-CG 4.23Å; F644-L648 HydrophobicContact CD1-CD1 4.16Å; F644-L648 HydrophobicContact CD1-CD2 4.22Å; F644-L648 HydrophobicContact CD1-CG 4.14Å; F644-L648 HydrophobicContact CG-CD1 4.44Å; F644-L648 WeakPolarHBondContact O-CG 3.46Å; F644-L648 PolarHBondContact O-N 3.31Å; F644-V668 HydrophobicContact CB-CG1 4.18Å
645	G	95.3	Very high	93.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-50.7	-63.1	-179.4	0	0	0	0	0	113.3	A641 T647 L648 L649 V664	A641-G645 WeakPolarHBondContact O-CA 3.22Å; A641-G645 PolarHBondContact O-N 3.01Å; G645-T647 PolarHBondContact O-N 3.04Å; G645-T647 VanDerWaalsContact O-N 3.11Å; G645-L648 PolarHBondContact O-N 3.29Å; G645-L649 PolarHBondContact O-N 3.26Å; G645-V664 VanDerWaalsContact C-CG1 3.42Å; G645-V664 WeakPolarHBondContact O-CG1 3.45Å
646	P	92.7	Very high	93.1	Very high	59 Å²	59	46.6 Å²	46.6	38%	0.383	26%	0.264	S	S	.	.	H	α-helix	trans	-63.4	-14.7	175.9	-23.3	34.8	0	0	0	114.9
647	T	95.1	Very high	92.8	Very high	16 Å²	16	45.8 Å²	45.8	10%	0.098	26%	0.26	C	S	.	.	H	α-helix	trans	-88.2	-35.9	-179.9	-62.1	0	0	0	0	112	K566 F569 R570 C643 F644 G645	K566-T647 WeakPolarHBondContact O-CG2 3.48Å; F569-T647 HydrophobicContact CB-CG2 3.68Å; R570-T647 HydrophobicContact CB-CG2 4.12Å; C643-T647 PolarHBondContact O-OG1 3.43Å; F644-T647 CarbonylContact O-C 3.58Å; F644-T647 WeakPolarHBondContact O-CA 3.23Å; F644-T647 WeakPolarHBondContact O-CB 3.21Å; F644-T647 PolarHBondContact O-N 3.42Å; G645-T647 PolarHBondContact O-N 3.04Å; G645-T647 VanDerWaalsContact O-N 3.11Å
648	L	96.8	Very high	92.5	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-96.8	-33.5	-175.8	-57	173.9	0	0	0	112.7	F569 I576 F577 L619 F620 F644 G645 V668	F569-L648 HydrophobicContact CB-CD2 4.1Å; F569-L648 HydrophobicContact CD1-CD2 3.74Å; F569-L648 HydrophobicContact CE1-CD2 4.28Å; F569-L648 HydrophobicContact CG-CD2 3.89Å; I576-L648 HydrophobicContact CG2-CB 3.9Å; I576-L648 HydrophobicContact CG2-CD2 3.59Å; I576-L648 HydrophobicContact CG2-CG 4.33Å; F577-L648 HydrophobicContact CD2-CB 3.81Å; F577-L648 HydrophobicContact CE2-CB 3.96Å; F577-L648 HydrophobicContact CE2-CD1 4.31Å; F577-L648 PolarHBondContact N-O 2.93Å; L619-L648 HydrophobicContact CD2-CD1 4.09Å; L619-L648 HydrophobicContact CD2-CD2 3.79Å; F620-L648 HydrophobicContact CE2-CD1 4.07Å; F620-L648 HydrophobicContact CZ-CD1 3.85Å; F644-L648 HydrophobicContact CB-CD1 3.9Å; F644-L648 HydrophobicContact CB-CG 4.23Å; F644-L648 HydrophobicContact CD1-CD1 4.16Å; F644-L648 HydrophobicContact CD1-CD2 4.22Å; F644-L648 HydrophobicContact CD1-CG 4.14Å; F644-L648 HydrophobicContact CG-CD1 4.44Å; F644-L648 WeakPolarHBondContact O-CG 3.46Å; F644-L648 PolarHBondContact O-N 3.31Å; G645-L648 PolarHBondContact O-N 3.29Å; L648-V668 HydrophobicContact CD1-CG2 4.4Å
649	L	95.3	Very high	92.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.287	C	S	.	.	S	Bend	trans	-138	80.2	-180	-177.4	57.6	0	0	0	110.4	F577 F582 F585 G645 V664 L667	F577-L649 HydrophobicContact CB-CB 4.09Å; F577-L649 HydrophobicContact CB-CD1 3.83Å; F577-L649 HydrophobicContact CB-CG 4.38Å; F577-L649 HydrophobicContact CD2-CB 4.21Å; F582-L649 HydrophobicContact CB-CD1 4.36Å; F582-L649 HydrophobicContact CD2-CD1 3.64Å; F582-L649 HydrophobicContact CD2-CD2 4.27Å; F582-L649 HydrophobicContact CD2-CG 3.81Å; F582-L649 HydrophobicContact CE2-CD1 4.43Å; F582-L649 HydrophobicContact CE2-CG 4.14Å; F582-L649 HydrophobicContact CG-CD1 4.43Å; F585-L649 HydrophobicContact CB-CD2 3.88Å; G645-L649 PolarHBondContact O-N 3.26Å; L649-V664 HydrophobicContact CB-CG1 4.28Å; L649-V664 HydrophobicContact CD2-CG2 4.32Å; L649-V664 HydrophobicContact CG-CG2 4.4Å; L649-L667 HydrophobicContact CD2-CD2 3.67Å
650	P	94	Very high	92.1	Very high	44 Å²	44	50.6 Å²	50.6	29%	0.286	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-67	145.3	178.2	28.5	-34.6	0	0	0	111.6	P575	P575-P650 HydrophobicContact CB-CG 3.95Å; P575-P650 HydrophobicContact CG-CG 3.42Å; P575-P650 VanDerWaalsContact CG-CG 3.42Å
651	I	92.7	Very high	91.9	Very high	20 Å²	20	53.9 Å²	53.9	10%	0.103	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-80.5	124.5	-176.6	-58	167.5	0	0	0	109.8	F582 K655 Q657 H661 V664	F582-I651 HydrophobicContact CE2-CB 4.23Å; F582-I651 HydrophobicContact CE2-CG1 4.01Å; F582-I651 HydrophobicContact CE2-CG2 4.45Å; F582-I651 HydrophobicContact CZ-CB 4.22Å; F582-I651 HydrophobicContact CZ-CG1 4.02Å; F582-I651 HydrophobicContact CZ-CG2 3.98Å; I651-K655 HydrophobicContact CG2-CB 4.05Å; I651-Q657 WeakPolarHBondContact CD1-O 3.42Å; I651-Q657 PolarHBondContact O-NE2 3.35Å; I651-Q657 VanDerWaalsContact O-NE2 3.15Å; I651-H661 HydrophobicContact CD1-CB 3.99Å; I651-V664 HydrophobicContact CG1-CG2 4.15Å
652	P	91.1	Very high	91.7	Very high	26 Å²	26	59 Å²	59	17%	0.169	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-53.8	141.3	-177.9	-27.8	32.4	0	0	0	114.6	I579 F582 G654 K655	I579-P652 HydrophobicContact CG2-CG 3.9Å; F582-P652 HydrophobicContact CD1-CG 4.34Å; F582-P652 HydrophobicContact CD2-CG 4.21Å; F582-P652 VanDerWaalsContact CE2-CD 3.5Å; F582-P652 HydrophobicContact CG-CG 4.1Å; P652-G654 PolarHBondContact O-N 3.42Å; P652-K655 HydrophobicContact CB-CD 4.16Å; P652-K655 HydrophobicContact CB-CG 4.29Å; P652-K655 HydrophobicContact CG-CD 4Å; P652-K655 PolarHBondContact O-N 2.99Å; P652-K655 VanDerWaalsContact O-N 3.1Å
653	E	81.6	Confident	91.7	Very high	197 Å²	197	58.5 Å²	58.5	92%	0.921	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	124.5	168.4	-64.4	-172.2	-176.8	0	0	110.2
654	G	81.3	Confident	91.7	Very high	87 Å²	87	57.6 Å²	57.6	90%	0.897	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.3	-4.2	-174.9	0	0	0	0	0	115.6	P652	P652-G654 PolarHBondContact O-N 3.42Å
655	K	86.6	Confident	91.6	Very high	65 Å²	65	58 Å²	58	28%	0.283	32%	0.315	S	S	.	.	S	Bend	trans	-100.3	158.5	169.1	-62.2	-172.1	-169	179.4	0	112.1	F582 E583 I651 P652 Q657 Y660	F582-K655 HydrophobicContact CD1-CD 4.24Å; F582-K655 VanDerWaalsContact CD1-NZ 3.26Å; F582-K655 HydrophobicContact CE1-CD 3.89Å; E583-K655 VanDerWaalsContact OE1-CE 3.32Å; E583-K655 WeakPolarHBondContact OE1-CE 3.31Å; E583-K655 IonicContact OE1-NZ 3.85Å; E583-K655 PolarHBondContact OE1-NZ 3.18Å; I651-K655 HydrophobicContact CG2-CB 4.05Å; P652-K655 HydrophobicContact CB-CD 4.16Å; P652-K655 HydrophobicContact CB-CG 4.29Å; P652-K655 HydrophobicContact CG-CD 4Å; P652-K655 PolarHBondContact O-N 2.99Å; P652-K655 VanDerWaalsContact O-N 3.1Å; K655-Q657 PolarHBondContact O-N 3.04Å; K655-Q657 VanDerWaalsContact O-N 3.08Å; K655-Y660 HydrophobicContact CB-CD2 4.01Å; K655-Y660 HydrophobicContact CB-CE2 4.08Å; K655-Y660 HydrophobicContact CD-CD2 4.47Å; K655-Y660 HydrophobicContact CD-CE2 4.13Å; K655-Y660 HydrophobicContact CG-CE2 4.46Å
656	D	90.5	Very high	91.6	Very high	95 Å²	95	60.8 Å²	60.8	51%	0.508	33%	0.329	S	S	.	.			trans	-69	104.3	175.5	-174.2	-31.5	0	0	0	110.4	V658 F659 Y660	D656-V658 VanDerWaalsContact C-N 3.28Å; D656-V658 PolarHBondContact O-N 2.93Å; D656-V658 WeakPolarHBondContact OD1-CA 3.39Å; D656-V658 PolarHBondContact OD1-N 2.98Å; D656-F659 HydrophobicContact CB-CB 3.86Å; D656-F659 PolarHBondContact O-N 3.44Å; D656-F659 PolarHBondContact OD1-N 3.48Å; D656-Y660 WeakPolarHBondContact O-CD2 3.47Å; D656-Y660 PolarHBondContact O-N 2.83Å; D656-Y660 VanDerWaalsContact O-N 3.07Å
657	Q	89.9	Confident	91.8	Very high	98 Å²	98	58.1 Å²	58.1	46%	0.458	31%	0.311	S	S	.	.	H	α-helix	trans	-58	-38.1	179.7	-67	-72.1	-26.5	0	0	112.3	I651 K655 H661	I651-Q657 WeakPolarHBondContact CD1-O 3.42Å; I651-Q657 PolarHBondContact O-NE2 3.35Å; I651-Q657 VanDerWaalsContact O-NE2 3.15Å; K655-Q657 PolarHBondContact O-N 3.04Å; K655-Q657 VanDerWaalsContact O-N 3.08Å; Q657-H661 VanDerWaalsContact O-CB 3.23Å; Q657-H661 WeakPolarHBondContact O-CB 3.45Å; Q657-H661 PolarHBondContact O-N 2.9Å
658	V	88.3	Confident	91.9	Very high	118 Å²	118	57.3 Å²	57.3	72%	0.715	31%	0.306	S	S	*	.	H	α-helix	trans	-75.7	-41	-176	-176.7	0	0	0	0	110.7	D656	D656-V658 VanDerWaalsContact C-N 3.28Å; D656-V658 PolarHBondContact O-N 2.93Å; D656-V658 WeakPolarHBondContact OD1-CA 3.39Å; D656-V658 PolarHBondContact OD1-N 2.98Å
659	F	89.4	Confident	91.9	Very high	102 Å²	102	60.6 Å²	60.6	45%	0.447	32%	0.318	S	S	.	.	H	α-helix	trans	-65.6	-50.1	178	-178.6	-105.8	0	0	0	112.1	D656 Y663	D656-F659 HydrophobicContact CB-CB 3.86Å; D656-F659 PolarHBondContact O-N 3.44Å; D656-F659 PolarHBondContact OD1-N 3.48Å; F659-Y663 HydrophobicContact CD1-CE2 4.29Å; F659-Y663 HydrophobicContact CE1-CD2 4.39Å; F659-Y663 AromaticContact CE1-CE2 3.74Å; F659-Y663 HydrophobicContact CE1-CE2 3.74Å; F659-Y663 HydrophobicContact CE2-CE2 4.16Å; F659-Y663 AromaticContact CZ-CE2 3.68Å; F659-Y663 HydrophobicContact CZ-CE2 3.68Å
660	Y	92.8	Very high	92	Very high	39 Å²	39	61.4 Å²	61.4	15%	0.153	32%	0.323	C	S	.	.	H	α-helix	trans	-76.9	-24.3	-173.7	-80.2	-79	0	0	0	114.4	F582 E583 C586 K655 D656 N662 Y663 V664	F582-Y660 AromaticContact CE1-CD1 3.51Å; F582-Y660 HydrophobicContact CE1-CD1 3.51Å; F582-Y660 AromaticContact CE1-CE1 3.81Å; F582-Y660 HydrophobicContact CE1-CE1 3.81Å; F582-Y660 AromaticContact CE1-CG 3.94Å; F582-Y660 HydrophobicContact CE1-CG 3.94Å; F582-Y660 AromaticContact CZ-CD1 3.84Å; F582-Y660 HydrophobicContact CZ-CD1 3.84Å; F582-Y660 AromaticContact CZ-CG 3.98Å; F582-Y660 HydrophobicContact CZ-CG 3.98Å; E583-Y660 PolarHBondContact OE1-OH 3.02Å; E583-Y660 WeakPolarHBondContact OE2-CE1 3.47Å; E583-Y660 PolarHBondContact OE2-OH 3.36Å; C586-Y660 HydrophobicContact CB-CD1 4.36Å; C586-Y660 HydrophobicContact CB-CE1 4.38Å; K655-Y660 HydrophobicContact CB-CD2 4.01Å; K655-Y660 HydrophobicContact CB-CE2 4.08Å; K655-Y660 HydrophobicContact CD-CD2 4.47Å; K655-Y660 HydrophobicContact CD-CE2 4.13Å; K655-Y660 HydrophobicContact CG-CE2 4.46Å; D656-Y660 WeakPolarHBondContact O-CD2 3.47Å; D656-Y660 PolarHBondContact O-N 2.83Å; D656-Y660 VanDerWaalsContact O-N 3.07Å; Y660-N662 PolarHBondContact O-N 2.95Å; Y660-Y663 HydrophobicContact CD1-CD2 4.47Å; Y660-Y663 PolarHBondContact O-N 3.16Å; Y660-V664 PolarHBondContact O-N 3.09Å
661	H	92.6	Very high	92.1	Very high	68 Å²	68	59.4 Å²	59.4	32%	0.315	31%	0.31	S	S	.	.	H	α-helix	trans	-58	-32.5	178.5	-170.6	-88.6	0	0	0	112.7	I651 Q657 N665	I651-H661 HydrophobicContact CD1-CB 3.99Å; Q657-H661 VanDerWaalsContact O-CB 3.23Å; Q657-H661 WeakPolarHBondContact O-CB 3.45Å; Q657-H661 PolarHBondContact O-N 2.9Å; H661-N665 PolarHBondContact CE1-ND2 2.75Å; H661-N665 PolarHBondContact ND1-ND2 3.04Å; H661-N665 WeakPolarHBondContact O-CB 3.3Å; H661-N665 VanDerWaalsContact O-CG 3.25Å; H661-N665 PolarHBondContact O-N 3.16Å; H661-N665 PolarHBondContact O-OD1 3.29Å
662	N	92.4	Very high	92.3	Very high	107 Å²	107	58.5 Å²	58.5	57%	0.572	31%	0.305	S	S	*	.	H	α-helix	trans	-65.5	-43.4	174.9	-63.8	-40.9	0	0	0	112.1	Y660 E666	Y660-N662 PolarHBondContact O-N 2.95Å; N662-E666 VanDerWaalsContact O-CB 3.26Å; N662-E666 WeakPolarHBondContact O-CB 3.39Å; N662-E666 PolarHBondContact O-N 2.89Å
663	Y	94.4	Very high	92.6	Very high	67 Å²	67	60.9 Å²	60.9	26%	0.263	32%	0.316	S	S	.	.	H	α-helix	trans	-71.2	-36	177.9	-64.9	-64.2	0	0	0	112.9	A589 K590 F659 Y660 E666 L667	A589-Y663 WeakPolarHBondContact CB-O 3.45Å; K590-Y663 HydrophobicContact CD-CE1 4.22Å; K590-Y663 HydrophobicContact CG-CD1 3.84Å; K590-Y663 HydrophobicContact CG-CE1 3.51Å; F659-Y663 HydrophobicContact CD1-CE2 4.29Å; F659-Y663 HydrophobicContact CE1-CD2 4.39Å; F659-Y663 AromaticContact CE1-CE2 3.74Å; F659-Y663 HydrophobicContact CE1-CE2 3.74Å; F659-Y663 HydrophobicContact CE2-CE2 4.16Å; F659-Y663 AromaticContact CZ-CE2 3.68Å; F659-Y663 HydrophobicContact CZ-CE2 3.68Å; Y660-Y663 HydrophobicContact CD1-CD2 4.47Å; Y660-Y663 PolarHBondContact O-N 3.16Å; Y663-E666 PolarHBondContact O-N 2.83Å; Y663-L667 WeakPolarHBondContact O-CB 3.37Å; Y663-L667 PolarHBondContact O-N 3.05Å
664	V	96.1	Very high	93.2	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-65.1	-42.3	174.7	170.9	0	0	0	0	111.1	F582 G645 L649 I651 Y660 V668	F582-V664 HydrophobicContact CE2-CG2 3.96Å; F582-V664 HydrophobicContact CZ-CG2 4.23Å; G645-V664 VanDerWaalsContact C-CG1 3.42Å; G645-V664 WeakPolarHBondContact O-CG1 3.45Å; L649-V664 HydrophobicContact CB-CG1 4.28Å; L649-V664 HydrophobicContact CD2-CG2 4.32Å; L649-V664 HydrophobicContact CG-CG2 4.4Å; I651-V664 HydrophobicContact CG1-CG2 4.15Å; Y660-V664 PolarHBondContact O-N 3.09Å; V664-V668 PolarHBondContact O-N 2.71Å
665	N	95.6	Very high	93.8	Very high	9 Å²	9	49.4 Å²	49.4	5%	0.048	24%	0.24	C	C	.	.	H	α-helix	trans	-68.2	-42.3	174.7	-71	-1.1	0	0	0	111.7	A641 I642 H661 L667 V668 R669	A641-N665 VanDerWaalsContact CB-O 3.31Å; A641-N665 WeakPolarHBondContact CB-O 3.47Å; A641-N665 PolarHBondContact O-OD1 3.17Å; I642-N665 WeakPolarHBondContact CG1-ND2 3.42Å; H661-N665 PolarHBondContact CE1-ND2 2.75Å; H661-N665 PolarHBondContact ND1-ND2 3.04Å; H661-N665 WeakPolarHBondContact O-CB 3.3Å; H661-N665 VanDerWaalsContact O-CG 3.25Å; H661-N665 PolarHBondContact O-N 3.16Å; H661-N665 PolarHBondContact O-OD1 3.29Å; N665-L667 VanDerWaalsContact C-N 3.33Å; N665-L667 PolarHBondContact O-N 2.8Å; N665-V668 PolarHBondContact O-N 3.26Å; N665-R669 WeakPolarHBondContact O-CB 3.44Å; N665-R669 PolarHBondContact O-N 3.48Å
666	E	95.3	Very high	94	Very high	59 Å²	59	50.6 Å²	50.6	28%	0.276	25%	0.249	S	C	.	.	H	α-helix	trans	-65.8	-35.6	179.5	-175.5	57.2	-163	0	0	112.3	N662 Y663 R669 N670	N662-E666 VanDerWaalsContact O-CB 3.26Å; N662-E666 WeakPolarHBondContact O-CB 3.39Å; N662-E666 PolarHBondContact O-N 2.89Å; Y663-E666 PolarHBondContact O-N 2.83Å; E666-R669 IonicContact OE1-CZ 3.23Å; E666-R669 IonicContact OE1-NE 2.68Å; E666-R669 PolarHBondContact OE1-NE 2.92Å; E666-R669 IonicContact OE1-NH2 3.99Å; E666-R669 PolarHBondContact OE1-NH2 2.88Å; E666-R669 IonicContact OE2-CZ 2.8Å; E666-R669 IonicContact OE2-NE 2.7Å; E666-R669 PolarHBondContact OE2-NE 3.45Å; E666-R669 IonicContact OE2-NH2 2.72Å; E666-N670 PolarHBondContact O-N 2.66Å; E666-N670 VanDerWaalsContact O-N 3.08Å; E666-N670 PolarHBondContact O-ND2 3.2Å; E666-N670 PolarHBondContact OE1-ND2 2.92Å
667	L	96.8	Very high	94.1	Very high	2 Å²	2	50 Å²	50	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-56.5	-56.7	168.8	179	65.6	0	0	0	111.2	F585 A589 F597 L649 Y663 N665 R669 N670 L671	F585-L667 HydrophobicContact CB-CD2 3.76Å; F585-L667 HydrophobicContact CD1-CD1 4.35Å; F585-L667 HydrophobicContact CD1-CD2 4.14Å; F585-L667 HydrophobicContact CG-CD2 4.24Å; A589-L667 HydrophobicContact CB-CB 3.95Å; F597-L667 HydrophobicContact CE2-CD1 4.02Å; F597-L667 HydrophobicContact CZ-CD1 4.24Å; L649-L667 HydrophobicContact CD2-CD2 3.67Å; Y663-L667 WeakPolarHBondContact O-CB 3.37Å; Y663-L667 PolarHBondContact O-N 3.05Å; N665-L667 VanDerWaalsContact C-N 3.33Å; N665-L667 PolarHBondContact O-N 2.8Å; L667-R669 VanDerWaalsContact C-N 3.32Å; L667-R669 PolarHBondContact O-N 2.78Å; L667-N670 PolarHBondContact O-N 3.29Å; L667-L671 HydrophobicContact CD1-CD1 4.12Å; L667-L671 HydrophobicContact CD1-CG 4.28Å; L667-L671 HydrophobicContact CG-CD1 3.94Å; L667-L671 HydrophobicContact CG-CG 4.43Å; L667-L671 WeakPolarHBondContact O-CB 3.41Å; L667-L671 VanDerWaalsContact O-CG 3.3Å; L667-L671 WeakPolarHBondContact O-CG 3.47Å; L667-L671 PolarHBondContact O-N 3.37Å
668	V	97.5	Very high	94.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.7	-35.8	-176.4	175.5	0	0	0	0	111.3	F620 A641 F644 L648 V664 N665 N670 L671 I672	F620-V668 HydrophobicContact CE1-CG1 3.99Å; F620-V668 HydrophobicContact CZ-CG1 4.15Å; A641-V668 HydrophobicContact CB-CB 4.03Å; A641-V668 HydrophobicContact CB-CG1 4Å; F644-V668 HydrophobicContact CB-CG1 4.18Å; L648-V668 HydrophobicContact CD1-CG2 4.4Å; V664-V668 PolarHBondContact O-N 2.71Å; N665-V668 PolarHBondContact O-N 3.26Å; V668-N670 PolarHBondContact O-N 3.45Å; V668-L671 PolarHBondContact O-N 3.46Å; V668-I672 HydrophobicContact CG1-CD1 4.2Å; V668-I672 WeakPolarHBondContact O-CG1 3.48Å; V668-I672 PolarHBondContact O-N 3.15Å
669	R	96.8	Very high	94.6	Very high	68 Å²	68	39.9 Å²	39.9	26%	0.257	19%	0.191	S	C	.	.	H	α-helix	trans	-58	-49.6	174	-170.8	-173.1	74.1	74.2	4.3	111.3	P637 H638 A641 N665 E666 L667 I672 I673	P637-R669 HydrophobicContact CB-CG 4.12Å; H638-R669 HydrophobicContact CB-CG 4.45Å; A641-R669 HydrophobicContact CB-CB 3.99Å; N665-R669 WeakPolarHBondContact O-CB 3.44Å; N665-R669 PolarHBondContact O-N 3.48Å; E666-R669 IonicContact OE1-CZ 3.23Å; E666-R669 IonicContact OE1-NE 2.68Å; E666-R669 PolarHBondContact OE1-NE 2.92Å; E666-R669 IonicContact OE1-NH2 3.99Å; E666-R669 PolarHBondContact OE1-NH2 2.88Å; E666-R669 IonicContact OE2-CZ 2.8Å; E666-R669 IonicContact OE2-NE 2.7Å; E666-R669 PolarHBondContact OE2-NE 3.45Å; E666-R669 IonicContact OE2-NH2 2.72Å; L667-R669 VanDerWaalsContact C-N 3.32Å; L667-R669 PolarHBondContact O-N 2.78Å; R669-I672 PolarHBondContact O-N 3.07Å; R669-I673 HydrophobicContact CG-CD1 4.15Å; R669-I673 WeakPolarHBondContact O-CG1 3.37Å; R669-I673 PolarHBondContact O-N 3.41Å
670	N	96.3	Very high	94.5	Very high	18 Å²	18	36.4 Å²	36.4	10%	0.096	18%	0.179	C	C	.	.	H	α-helix	trans	-73.9	-29	-179.2	-67.3	-40.7	0	0	0	112.6	F597 E666 L667 V668 I673 H674	F597-N670 HydrophobicContact CD1-CB 3.94Å; F597-N670 HydrophobicContact CD2-CB 4.26Å; F597-N670 HydrophobicContact CE1-CB 3.47Å; F597-N670 VanDerWaalsContact CE1-CB 3.47Å; F597-N670 HydrophobicContact CE2-CB 3.82Å; F597-N670 HydrophobicContact CG-CB 4.32Å; F597-N670 HydrophobicContact CZ-CB 3.4Å; F597-N670 VanDerWaalsContact CZ-CB 3.4Å; E666-N670 PolarHBondContact O-N 2.66Å; E666-N670 VanDerWaalsContact O-N 3.08Å; E666-N670 PolarHBondContact O-ND2 3.2Å; E666-N670 PolarHBondContact OE1-ND2 2.92Å; L667-N670 PolarHBondContact O-N 3.29Å; V668-N670 PolarHBondContact O-N 3.45Å; N670-I673 PolarHBondContact O-N 2.97Å; N670-H674 WeakPolarHBondContact O-CB 3.41Å; N670-H674 PolarHBondContact O-CD2 3.3Å; N670-H674 PolarHBondContact O-N 3.49Å
671	L	97.3	Very high	93.9	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-68.2	-30.6	170.8	-72.1	176.2	0	0	0	113.4	F577 F597 A601 F620 L667 V668 A675 V678 F679	F577-L671 HydrophobicContact CE1-CD1 4.35Å; F577-L671 HydrophobicContact CE2-CD1 4.17Å; F577-L671 HydrophobicContact CZ-CD1 3.61Å; F597-L671 HydrophobicContact CE1-CD2 4.42Å; F597-L671 HydrophobicContact CZ-CD2 4.1Å; F597-L671 HydrophobicContact CZ-CG 4.15Å; A601-L671 HydrophobicContact CB-CD2 4.23Å; F620-L671 HydrophobicContact CD1-CB 3.82Å; F620-L671 WeakPolarHBondContact CD1-O 3.43Å; F620-L671 HydrophobicContact CE1-CB 3.36Å; F620-L671 HydrophobicContact CE1-CD1 4.32Å; F620-L671 HydrophobicContact CE1-CG 4.5Å; F620-L671 HydrophobicContact CE2-CD1 4.36Å; F620-L671 HydrophobicContact CZ-CB 3.78Å; F620-L671 HydrophobicContact CZ-CD1 3.86Å; F620-L671 HydrophobicContact CZ-CG 4.5Å; L667-L671 HydrophobicContact CD1-CD1 4.12Å; L667-L671 HydrophobicContact CD1-CG 4.28Å; L667-L671 HydrophobicContact CG-CD1 3.94Å; L667-L671 HydrophobicContact CG-CG 4.43Å; L667-L671 WeakPolarHBondContact O-CB 3.41Å; L667-L671 VanDerWaalsContact O-CG 3.3Å; L667-L671 WeakPolarHBondContact O-CG 3.47Å; L667-L671 PolarHBondContact O-N 3.37Å; V668-L671 PolarHBondContact O-N 3.46Å; L671-A675 VanDerWaalsContact O-CA 3.31Å; L671-A675 WeakPolarHBondContact O-CA 3.48Å; L671-A675 PolarHBondContact O-N 3.35Å; L671-V678 HydrophobicContact CD2-CB 4.4Å; L671-V678 HydrophobicContact CD2-CG1 3.79Å; L671-V678 HydrophobicContact CD2-CG2 4.34Å; L671-F679 HydrophobicContact CD2-CE2 4.5Å; L671-F679 HydrophobicContact CD2-CZ 4.34Å
672	I	96.8	Very high	93.4	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-68.8	-50.8	171	-68.2	165.9	0	0	0	109.9	F620 L623 P637 L640 V668 R669 H674 A675	F620-I672 HydrophobicContact CD1-CB 4.47Å; F620-I672 HydrophobicContact CD1-CG1 3.74Å; F620-I672 HydrophobicContact CE1-CG1 3.8Å; L623-I672 HydrophobicContact CB-CD1 4.4Å; L623-I672 HydrophobicContact CB-CG1 4.13Å; L623-I672 HydrophobicContact CD1-CD1 4.43Å; L623-I672 HydrophobicContact CD1-CG1 4.41Å; P637-I672 HydrophobicContact CB-CB 4.32Å; P637-I672 HydrophobicContact CB-CG2 4.01Å; P637-I672 HydrophobicContact CG-CG2 4.24Å; L640-I672 HydrophobicContact CB-CD1 3.8Å; V668-I672 HydrophobicContact CG1-CD1 4.2Å; V668-I672 WeakPolarHBondContact O-CG1 3.48Å; V668-I672 PolarHBondContact O-N 3.15Å; R669-I672 PolarHBondContact O-N 3.07Å; I672-H674 VanDerWaalsContact C-N 3.33Å; I672-H674 PolarHBondContact O-N 2.89Å; I672-A675 PolarHBondContact O-N 3.04Å
673	I	95.8	Very high	93.1	Very high	76 Å²	76	43.8 Å²	43.8	39%	0.39	21%	0.21	S	C	.	.	H	α-helix	trans	-64	-38	-176.1	-67.1	166	0	0	0	111.9	P637 R669 N670	P637-I673 HydrophobicContact CB-CD1 4.24Å; P637-I673 HydrophobicContact CB-CG1 4.02Å; P637-I673 HydrophobicContact CG-CD1 4.43Å; P637-I673 HydrophobicContact CG-CG1 4Å; R669-I673 HydrophobicContact CG-CD1 4.15Å; R669-I673 WeakPolarHBondContact O-CG1 3.37Å; R669-I673 PolarHBondContact O-N 3.41Å; N670-I673 PolarHBondContact O-N 2.97Å
674	H	95.3	Very high	92.6	Very high	35 Å²	35	44.6 Å²	44.6	16%	0.162	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	27.9	-178.3	-64.6	-68.8	0	0	0	113.4	V598 N670 I672 D676 D677 V678	V598-H674 HydrophobicContact CG2-CB 3.77Å; N670-H674 WeakPolarHBondContact O-CB 3.41Å; N670-H674 PolarHBondContact O-CD2 3.3Å; N670-H674 PolarHBondContact O-N 3.49Å; I672-H674 VanDerWaalsContact C-N 3.33Å; I672-H674 PolarHBondContact O-N 2.89Å; H674-D676 VanDerWaalsContact C-N 3.28Å; H674-D676 PolarHBondContact O-N 3.16Å; H674-D677 HydrophobicContact CB-CB 4.26Å; H674-D677 IonicContact ND1-OD2 2.93Å; H674-D677 PolarHBondContact ND1-OD2 2.84Å; H674-D677 PolarHBondContact O-N 2.95Å; H674-V678 HydrophobicContact CB-CG2 4.12Å; H674-V678 WeakPolarHBondContact O-CB 3.18Å; H674-V678 WeakPolarHBondContact O-CG2 3.35Å; H674-V678 PolarHBondContact O-N 2.76Å
675	A	93.6	Very high	92.1	Very high	8 Å²	8	45.6 Å²	45.6	7%	0.066	24%	0.241	C	C	.	.	H	α-helix	trans	-52.9	-44.8	-176.6	0	0	0	0	0	112.7	F620 L671 I672 D677 V678 F679	F620-A675 HydrophobicContact CB-CB 4.07Å; L671-A675 VanDerWaalsContact O-CA 3.31Å; L671-A675 WeakPolarHBondContact O-CA 3.48Å; L671-A675 PolarHBondContact O-N 3.35Å; I672-A675 PolarHBondContact O-N 3.04Å; A675-D677 PolarHBondContact O-N 2.96Å; A675-V678 PolarHBondContact O-N 2.84Å; A675-F679 HydrophobicContact CB-CD2 4.49Å; A675-F679 WeakPolarHBondContact O-CD2 3.45Å; A675-F679 PolarHBondContact O-N 2.99Å
676	D	90.9	Very high	91.6	Very high	89 Å²	89	46.3 Å²	46.3	48%	0.476	25%	0.246	S	C	.	.	H	α-helix	trans	-70	-27	178.4	-81.8	-40.2	0	0	0	114.5	H674 R681	H674-D676 VanDerWaalsContact C-N 3.28Å; H674-D676 PolarHBondContact O-N 3.16Å; D676-R681 IonicContact OD1-CZ 3.84Å; D676-R681 IonicContact OD1-NE 3.24Å; D676-R681 PolarHBondContact OD1-NE 2.97Å; D676-R681 IonicContact OD1-NH2 3.98Å; D676-R681 PolarHBondContact OD1-NH2 3.16Å; D676-R681 IonicContact OD2-CZ 3.68Å; D676-R681 IonicContact OD2-NH2 2.73Å; D676-R681 PolarHBondContact OD2-NH2 2.88Å
677	D	93.3	Very high	91.3	Very high	82 Å²	82	48.2 Å²	48.2	44%	0.439	26%	0.261	S	S	.	.	H	α-helix	trans	-88	-20.4	179.6	-65.3	-48.9	0	0	0	112.7	V598 R602 H674 A675	V598-D677 HydrophobicContact CB-CB 4.49Å; V598-D677 HydrophobicContact CG1-CB 3.79Å; V598-D677 WeakPolarHBondContact CG1-O 3.38Å; V598-D677 HydrophobicContact CG2-CB 3.8Å; R602-D677 VanDerWaalsContact CZ-O 3.31Å; R602-D677 PolarHBondContact NE-O 3.33Å; R602-D677 PolarHBondContact NH2-O 2.88Å; H674-D677 HydrophobicContact CB-CB 4.26Å; H674-D677 IonicContact ND1-OD2 2.93Å; H674-D677 PolarHBondContact ND1-OD2 2.84Å; H674-D677 PolarHBondContact O-N 2.95Å; A675-D677 PolarHBondContact O-N 2.96Å
678	V	94.2	Very high	91	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-98.5	-44	-177.3	174.2	0	0	0	0	112.2	F597 V598 A601 V605 L671 H674 A675	F597-V678 HydrophobicContact CE1-CG2 4.4Å; V598-V678 HydrophobicContact CG2-CG2 4.29Å; A601-V678 HydrophobicContact CB-CB 4.49Å; A601-V678 HydrophobicContact CB-CG1 3.8Å; A601-V678 HydrophobicContact CB-CG2 3.8Å; V605-V678 HydrophobicContact CG2-CG1 3.95Å; L671-V678 HydrophobicContact CD2-CB 4.4Å; L671-V678 HydrophobicContact CD2-CG1 3.79Å; L671-V678 HydrophobicContact CD2-CG2 4.34Å; H674-V678 HydrophobicContact CB-CG2 4.12Å; H674-V678 WeakPolarHBondContact O-CB 3.18Å; H674-V678 WeakPolarHBondContact O-CG2 3.35Å; H674-V678 PolarHBondContact O-N 2.76Å; A675-V678 PolarHBondContact O-N 2.84Å
679	F	93.8	Very high	90.4	Very high	5 Å²	5	52.1 Å²	52.1	2%	0.022	28%	0.281	C	S	.	.	S	Bend	trans	-93.9	132.1	-174.2	-61.9	-73.4	0	0	0	112.2	V605 L616 R617 F620 L671 A675 R681	V605-F679 HydrophobicContact CG1-CD1 3.89Å; V605-F679 HydrophobicContact CG1-CE1 4.03Å; V605-F679 HydrophobicContact CG2-CD1 4.45Å; V605-F679 HydrophobicContact CG2-CE1 3.9Å; L616-F679 HydrophobicContact CB-CD1 4.28Å; L616-F679 HydrophobicContact CB-CE1 3.58Å; L616-F679 HydrophobicContact CB-CZ 4.01Å; L616-F679 HydrophobicContact CD1-CE1 4.4Å; R617-F679 HydrophobicContact CB-CB 3.88Å; R617-F679 HydrophobicContact CB-CD1 4.44Å; R617-F679 HydrophobicContact CB-CG 4.24Å; R617-F679 HydrophobicContact CG-CB 3.82Å; F620-F679 HydrophobicContact CB-CD2 4.1Å; F620-F679 HydrophobicContact CB-CE2 3.6Å; F620-F679 HydrophobicContact CB-CZ 4.39Å; F620-F679 HydrophobicContact CD1-CE2 4.47Å; F620-F679 AromaticContact CD2-CE2 3.7Å; F620-F679 HydrophobicContact CD2-CE2 3.7Å; F620-F679 AromaticContact CD2-CZ 3.63Å; F620-F679 HydrophobicContact CD2-CZ 3.63Å; F620-F679 HydrophobicContact CE2-CZ 4.16Å; F620-F679 AromaticContact CG-CE2 3.67Å; F620-F679 HydrophobicContact CG-CE2 3.67Å; F620-F679 HydrophobicContact CG-CZ 4.1Å; L671-F679 HydrophobicContact CD2-CE2 4.5Å; L671-F679 HydrophobicContact CD2-CZ 4.34Å; A675-F679 HydrophobicContact CB-CD2 4.49Å; A675-F679 WeakPolarHBondContact O-CD2 3.45Å; A675-F679 PolarHBondContact O-N 2.99Å; F679-R681 PolarHBondContact O-N 3.33Å
680	P	86.9	Confident	89.7	Confident	29 Å²	29	51.4 Å²	51.4	19%	0.188	28%	0.279	C	S	.	.			trans	-70.4	113.7	-174.8	27.1	-34.3	0	0	0	112.5	V613 R617 D682 L683	V613-P680 HydrophobicContact CG1-CG 3.84Å; R617-P680 WeakPolarHBondContact CD-O 3.32Å; R617-P680 PolarHBondContact NE-O 3.47Å; R617-P680 VanDerWaalsContact NE-O 3.11Å; P680-D682 VanDerWaalsContact CB-OD1 3.29Å; P680-D682 WeakPolarHBondContact CB-OD1 3.4Å; P680-D682 PolarHBondContact O-N 3.28Å; P680-L683 HydrophobicContact CB-CB 4.09Å; P680-L683 HydrophobicContact CG-CB 3.85Å; P680-L683 HydrophobicContact CG-CD2 4.05Å; P680-L683 PolarHBondContact O-N 3.45Å
681	R	80.3	Confident	88.7	Confident	175 Å²	175	56.6 Å²	56.6	66%	0.66	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-20.7	174.5	-72.3	177.2	164	-162.1	-4.6	113.3	D676 F679	D676-R681 IonicContact OD1-CZ 3.84Å; D676-R681 IonicContact OD1-NE 3.24Å; D676-R681 PolarHBondContact OD1-NE 2.97Å; D676-R681 IonicContact OD1-NH2 3.98Å; D676-R681 PolarHBondContact OD1-NH2 3.16Å; D676-R681 IonicContact OD2-CZ 3.68Å; D676-R681 IonicContact OD2-NH2 2.73Å; D676-R681 PolarHBondContact OD2-NH2 2.88Å; F679-R681 PolarHBondContact O-N 3.33Å
682	D	82.1	Confident	87.3	Confident	146 Å²	146	58.5 Å²	58.5	78%	0.781	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-10	177.6	56.1	-49.1	0	0	0	113.8	P680 A684	P680-D682 VanDerWaalsContact CB-OD1 3.29Å; P680-D682 WeakPolarHBondContact CB-OD1 3.4Å; P680-D682 PolarHBondContact O-N 3.28Å; D682-A684 PolarHBondContact O-N 3.07Å
683	L	86.8	Confident	85.1	Confident	47 Å²	47	61.5 Å²	61.5	25%	0.246	33%	0.329	C	S	.	.	S	Bend	trans	-75.8	110.1	176.2	-176.8	65.2	0	0	0	110.9	V610 V613 L614 R617 P680	V610-L683 HydrophobicContact CG1-CD1 4.18Å; V610-L683 HydrophobicContact CG1-CD2 4.35Å; V613-L683 HydrophobicContact CB-CD2 3.96Å; V613-L683 HydrophobicContact CG1-CD2 3.6Å; L614-L683 HydrophobicContact CD2-CD2 3.94Å; L614-L683 HydrophobicContact CD2-CG 4.01Å; L614-L683 HydrophobicContact CG-CD2 4.16Å; R617-L683 PolarHBondContact NH2-O 3.12Å; P680-L683 HydrophobicContact CB-CB 4.09Å; P680-L683 HydrophobicContact CG-CB 3.85Å; P680-L683 HydrophobicContact CG-CD2 4.05Å; P680-L683 PolarHBondContact O-N 3.45Å
684	A	83.2	Confident	83	Confident	84 Å²	84	62.7 Å²	62.7	69%	0.694	33%	0.333	S	S	*	.			trans	-54.7	141.1	175.6	0	0	0	0	0	112.3	D682	D682-A684 PolarHBondContact O-N 3.07Å
685	G	85.5	Confident	81	Confident	22 Å²	22	68.5 Å²	68.5	23%	0.227	35%	0.354	C	S	.	.	S	Bend	trans	131.9	-179.5	-171.8	0	0	0	0	0	110.8	E503	E503-G685 WeakPolarHBondContact OE1-CA 3.39Å
686	P	86.4	Confident	78.9	Confident	25 Å²	25	77.3 Å²	77.3	16%	0.162	39%	0.386	C	S	.	.			trans	-66.9	139	-169	-18.6	32.9	0	0	0	111.3	E503 I504 R617	E503-P686 HydrophobicContact CB-CG 3.99Å; E503-P686 WeakPolarHBondContact OE2-CD 3.39Å; I504-P686 HydrophobicContact CB-CG 4.35Å; I504-P686 HydrophobicContact CD1-CB 4.05Å; I504-P686 HydrophobicContact CD1-CG 4.11Å; I504-P686 HydrophobicContact CG1-CG 4.06Å; R617-P686 PolarHBondContact NH1-O 3.33Å; R617-P686 PolarHBondContact NH2-O 2.97Å
687	V	87.5	Confident	76.7	Confident	98 Å²	98	78.9 Å²	78.9	59%	0.594	39%	0.393	S	S	*	.			trans	-116.6	136.9	178.1	-176.2	0	0	0	0	108.8	D689	V687-D689 PolarHBondContact O-N 2.98Å
688	Y	90.3	Very high	74.2	Confident	25 Å²	25	79.4 Å²	79.4	10%	0.098	40%	0.395	C	S	.	.			trans	-74.9	106.6	174.7	172.8	-104	0	0	0	109.9	I512 S516 F618 A621 F622 H625 K690	I512-Y688 HydrophobicContact CG2-CD2 3.72Å; I512-Y688 HydrophobicContact CG2-CE2 3.65Å; S516-Y688 PolarHBondContact OG-OH 2.96Å; F618-Y688 HydrophobicContact CZ-CD2 4.35Å; A621-Y688 HydrophobicContact CB-CD1 3.86Å; A621-Y688 HydrophobicContact CB-CG 4.34Å; F622-Y688 HydrophobicContact CB-CD1 4.34Å; F622-Y688 HydrophobicContact CB-CD2 4.18Å; F622-Y688 HydrophobicContact CB-CE1 4.15Å; F622-Y688 HydrophobicContact CB-CE2 4.01Å; F622-Y688 HydrophobicContact CB-CG 4.33Å; F622-Y688 HydrophobicContact CD2-CE2 4Å; F622-Y688 AromaticContact CD2-CZ 3.87Å; F622-Y688 WeakPolarHBondContact CD2-OH 3.43Å; F622-Y688 HydrophobicContact CG-CE2 4.46Å; H625-Y688 HydrophobicContact CB-CE1 3.86Å; H625-Y688 AromaticContact ND1-CZ 3.84Å; H625-Y688 PolarHBondContact ND1-OH 3.37Å; Y688-K690 HydrophobicContact CE1-CB 4.36Å; Y688-K690 PolarHBondContact O-N 3.12Å
689	D	85.1	Confident	71.5	Confident	60 Å²	60	82.5 Å²	82.5	32%	0.321	43%	0.427	S	S	.	.			trans	-89.5	95	178.7	-172.5	-9.1	0	0	0	111.2	V687 Y691 A692 R695	V687-D689 PolarHBondContact O-N 2.98Å; D689-Y691 PolarHBondContact O-N 3.06Å; D689-Y691 PolarHBondContact OD1-N 3.15Å; D689-A692 HydrophobicContact CB-CB 4.22Å; D689-A692 WeakPolarHBondContact O-CB 3.5Å; D689-A692 PolarHBondContact O-N 3.19Å; D689-A692 VanDerWaalsContact O-N 3.13Å; D689-A692 PolarHBondContact OD1-N 3.24Å; D689-R695 IonicContact OD1-NH2 2.74Å; D689-R695 PolarHBondContact OD1-NH2 2.66Å; D689-R695 IonicContact OD2-CZ 2.67Å; D689-R695 IonicContact OD2-NH1 2.74Å; D689-R695 PolarHBondContact OD2-NH1 3.26Å; D689-R695 IonicContact OD2-NH2 3.56Å; D689-R695 PolarHBondContact OD2-NH2 2.95Å
690	K	82.3	Confident	68.6	Low	53 Å²	53	89.1 Å²	89.1	23%	0.23	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45	-33.9	173	172.5	173.6	174.6	-173.7	0	113.9	H625 E628 Y688	H625-K690 VanDerWaalsContact CD2-CE 3.43Å; H625-K690 WeakPolarHBondContact CD2-CE 3.4Å; H625-K690 WeakPolarHBondContact NE2-CE 3.47Å; E628-K690 WeakPolarHBondContact OE1-CE 3.36Å; E628-K690 IonicContact OE1-NZ 3.07Å; E628-K690 PolarHBondContact OE1-NZ 3.12Å; E628-K690 IonicContact OE2-NZ 2.84Å; E628-K690 PolarHBondContact OE2-NZ 3.06Å; Y688-K690 HydrophobicContact CE1-CB 4.36Å; Y688-K690 PolarHBondContact O-N 3.12Å
691	Y	74.9	Confident	66.2	Low	127 Å²	127	95.9 Å²	95.9	50%	0.498	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	13.4	-172.2	-56.4	-70.5	0	0	0	113.5	D689 M693 Q694 R695	D689-Y691 PolarHBondContact O-N 3.06Å; D689-Y691 PolarHBondContact OD1-N 3.15Å; Y691-M693 VanDerWaalsContact C-N 3.31Å; Y691-M693 PolarHBondContact O-N 3.03Å; Y691-Q694 VanDerWaalsContact O-CB 3.3Å; Y691-Q694 WeakPolarHBondContact O-CB 3.42Å; Y691-Q694 PolarHBondContact O-N 2.7Å; Y691-R695 PolarHBondContact O-N 2.84Å
692	A	67.8	Low	63.9	Low	42 Å²	42	95.3 Å²	95.3	35%	0.347	50%	0.498	S	S	.	.	H	α-helix	trans	-53.8	-45.2	178.9	0	0	0	0	0	112.7	D689 Q694 R695 Y696	D689-A692 HydrophobicContact CB-CB 4.22Å; D689-A692 WeakPolarHBondContact O-CB 3.5Å; D689-A692 PolarHBondContact O-N 3.19Å; D689-A692 VanDerWaalsContact O-N 3.13Å; D689-A692 PolarHBondContact OD1-N 3.24Å; A692-Q694 VanDerWaalsContact C-N 3.32Å; A692-Q694 PolarHBondContact O-N 3.11Å; A692-R695 PolarHBondContact O-N 3.43Å; A692-Y696 WeakPolarHBondContact O-CD2 3.49Å; A692-Y696 PolarHBondContact O-N 2.88Å
693	M	52.3	Low	61.6	Low	64 Å²	64	96.6 Å²	96.6	32%	0.315	50%	0.499	S	S	.	.	H	α-helix	trans	-64.8	-32.3	176.3	-84.1	-68.2	-66.5	0	0	113.5	R517 Y691 Y696 M697	R517-M693 HydrophobicContact CG-CE 4.1Å; R517-M693 HydrophobicContact CG-CG 4.31Å; R517-M693 HydrophobicContact CG-SD 3.84Å; Y691-M693 VanDerWaalsContact C-N 3.31Å; Y691-M693 PolarHBondContact O-N 3.03Å; M693-Y696 PolarHBondContact O-N 2.65Å; M693-M697 HydrophobicContact CE-CE 3.74Å; M693-M697 PolarHBondContact O-N 2.89Å
694	Q	50	Low	59.2	Low	100 Å²	100	103 Å²	103	47%	0.467	53%	0.528	S	S	.	.	H	α-helix	trans	-62.9	-45.2	-179.8	-163.6	65.6	49.2	0	0	110.2	Y691 A692 Y696 M697 D698	Y691-Q694 VanDerWaalsContact O-CB 3.3Å; Y691-Q694 WeakPolarHBondContact O-CB 3.42Å; Y691-Q694 PolarHBondContact O-N 2.7Å; A692-Q694 VanDerWaalsContact C-N 3.32Å; A692-Q694 PolarHBondContact O-N 3.11Å; Q694-Y696 VanDerWaalsContact C-N 3.28Å; Q694-Y696 PolarHBondContact O-N 3.2Å; Q694-M697 PolarHBondContact O-N 2.66Å; Q694-M697 VanDerWaalsContact O-N 3.12Å; Q694-D698 WeakPolarHBondContact CG-OD2 3.35Å; Q694-D698 PolarHBondContact NE2-OD1 3.29Å; Q694-D698 PolarHBondContact NE2-OD2 2.9Å; Q694-D698 WeakPolarHBondContact O-CB 3.41Å; Q694-D698 VanDerWaalsContact O-CG 3.27Å; Q694-D698 PolarHBondContact O-N 2.92Å
695	R	54.2	Low	56.7	Low	157 Å²	157	105.7 Å²	105.7	59%	0.592	53%	0.531	S	S	*	.	H	α-helix	trans	-66.6	-25.8	177.3	-54.2	-164.4	-153.2	95.7	15.8	114	D689 Y691 A692 G699	D689-R695 IonicContact OD1-NH2 2.74Å; D689-R695 PolarHBondContact OD1-NH2 2.66Å; D689-R695 IonicContact OD2-CZ 2.67Å; D689-R695 IonicContact OD2-NH1 2.74Å; D689-R695 PolarHBondContact OD2-NH1 3.26Å; D689-R695 IonicContact OD2-NH2 3.56Å; D689-R695 PolarHBondContact OD2-NH2 2.95Å; Y691-R695 PolarHBondContact O-N 2.84Å; A692-R695 PolarHBondContact O-N 3.43Å; R695-G699 PolarHBondContact O-N 2.84Å
696	Y	49.2	Very low	54	Low	193 Å²	193	110.7 Å²	110.7	76%	0.757	55%	0.552	S	S	*	*	H	α-helix	trans	-78.8	-19.3	174.4	-85.8	-71	0	0	0	113.8	A692 M693 Q694	A692-Y696 WeakPolarHBondContact O-CD2 3.49Å; A692-Y696 PolarHBondContact O-N 2.88Å; M693-Y696 PolarHBondContact O-N 2.65Å; Q694-Y696 VanDerWaalsContact C-N 3.28Å; Q694-Y696 PolarHBondContact O-N 3.2Å
697	M	43.8	Very low	51.3	Low	123 Å²	123	116.8 Å²	116.8	61%	0.606	58%	0.583	S	S	*	*	H	α-helix	trans	-96.5	-43.8	176.4	-66.9	-66.3	173.8	0	0	111.7	M693 Q694 G699	M693-M697 HydrophobicContact CE-CE 3.74Å; M693-M697 PolarHBondContact O-N 2.89Å; Q694-M697 PolarHBondContact O-N 2.66Å; Q694-M697 VanDerWaalsContact O-N 3.12Å; M697-G699 VanDerWaalsContact C-N 3.27Å; M697-G699 PolarHBondContact O-N 3.49Å
698	D	41.4	Very low	48.5	Very low	93 Å²	93	120 Å²	120	50%	0.497	60%	0.595	S	S	.	*	H	α-helix	trans	-70.3	-24.2	-178.8	-62	-4.5	0	0	0	112.2	Q694 N700 F701	Q694-D698 WeakPolarHBondContact CG-OD2 3.35Å; Q694-D698 PolarHBondContact NE2-OD1 3.29Å; Q694-D698 PolarHBondContact NE2-OD2 2.9Å; Q694-D698 WeakPolarHBondContact O-CB 3.41Å; Q694-D698 VanDerWaalsContact O-CG 3.27Å; Q694-D698 PolarHBondContact O-N 2.92Å; D698-N700 PolarHBondContact O-N 3.44Å; D698-F701 PolarHBondContact O-N 2.87Å
699	G	37	Very low	45.7	Very low	65 Å²	65	122.6 Å²	122.6	67%	0.67	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	1.5	178.1	0	0	0	0	0	115.7	R695 M697	R695-G699 PolarHBondContact O-N 2.84Å; M697-G699 VanDerWaalsContact C-N 3.27Å; M697-G699 PolarHBondContact O-N 3.49Å
700	N	33.7	Very low	43.2	Very low	143 Å²	143	127 Å²	127	77%	0.765	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.3	8	-176.3	-131.9	76.4	0	0	0	114.1	D698	D698-N700 PolarHBondContact O-N 3.44Å
701	F	36.3	Very low	40.8	Very low	172 Å²	172	130.7 Å²	130.7	75%	0.754	66%	0.658	S	S	*	*			trans	-135.5	97.2	172	-96.5	-88.4	0	0	0	111.8	D698	D698-F701 PolarHBondContact O-N 2.87Å
702	I	33.1	Very low	38.9	Very low	163 Å²	163	131.4 Å²	131.4	84%	0.836	67%	0.67	S	S	*	*			trans	-125.2	109.8	154.3	-61.9	178.8	0	0	0	105.6
703	E	32.6	Very low	37.1	Very low	172 Å²	172	136.9 Å²	136.9	80%	0.804	69%	0.688	S	S	*	*			trans	-78.4	136.7	165.5	-72.9	-172.7	126.8	0	0	109	N705	E703-N705 PolarHBondContact O-N 3.06Å
704	E	37.6	Very low	36.1	Very low	181 Å²	181	137.7 Å²	137.7	85%	0.846	71%	0.705	S	S	*	*			trans	-72.1	118.8	163	-67.1	178.2	112.1	0	0	109
705	N	29.9	Very low	35.2	Very low	142 Å²	142	140.8 Å²	140.8	76%	0.759	72%	0.72	S	S	*	*				-175.1	153.7	125.8	-95.9	-15.4	0	0	0	113.6	E703	E703-N705 PolarHBondContact O-N 3.06Å
706	D	29.1	Very low	34	Very low	126 Å²	126	139.9 Å²	139.9	67%	0.674	72%	0.722	S	S	*	*			trans	46.7	103.9	157.9	-53.7	-34.2	0	0	0	118.3
707	L	30.2	Very low	32.9	Very low	154 Å²	154	138.6 Å²	138.6	81%	0.806	72%	0.72	S	S	*	*				70.5	153.2	56.2	-59.8	168	0	0	0	114.9
708	I	28.1	Very low	32	Very low	164 Å²	164	139.5 Å²	139.5	84%	0.841	73%	0.727	S	S	*	*			trans	76.3	126.1	168.5	-52.8	180	0	0	0	114.4
709	S	30.5	Very low	31.2	Very low	81 Å²	81	140.7 Å²	140.7	57%	0.566	74%	0.743	S	S	*	*			cis	-172.8	-178.8	-15.5	-162.5	0	0	0	0	110.1
710	E	32.5	Very low	30.4	Very low	151 Å²	151	145.6 Å²	145.6	71%	0.706	75%	0.753	S	S	*	*			trans	68.3	133.9	148.8	-79.3	131.7	-116.5	0	0	120.8
711	D	33.4	Very low	30.6	Very low	131 Å²	131	144 Å²	144	70%	0.701	75%	0.75	S	S	*	*			cis	-165	170.4	-18.3	-124.8	-5.7	0	0	0	114.1
712	D	34.3	Very low	30.7	Very low	142 Å²	142	141.5 Å²	141.5	76%	0.759	75%	0.751	S	S	*	*			trans	57.4	132.8	160.7	-69.9	-32.6	0	0	0	120.3
713	E	30.8	Very low	30.3	Very low	157 Å²	157	139.2 Å²	139.2	73%	0.734	75%	0.75	S	S	*	*			cis	-127.4	-164.9	4.5	-135.3	-138.5	113.9	0	0	108.7	H715	E713-H715 PolarHBondContact OE1-N 3.01Å
714	A	30.5	Very low	29.9	Very low	81 Å²	81	142.1 Å²	142.1	67%	0.669	75%	0.753	S	S	*	*			cis	-152.3	160.4	20.6	0	0	0	0	0	116.1
715	H	31.5	Very low	29.3	Very low	166 Å²	166	142 Å²	142	77%	0.769	75%	0.752	S	S	*	*			trans	-114.8	164	-176.4	-77.5	-94.5	0	0	0	112.9	E713	E713-H715 PolarHBondContact OE1-N 3.01Å
716	E	28.3	Very low	29.1	Very low	137 Å²	137	141.6 Å²	141.6	64%	0.64	75%	0.747	S	S	*	*			cis	-158.6	175.3	14.1	-151.2	-146.9	153.4	0	0	111.7
717	K	27	Very low	28.8	Very low	166 Å²	166	142 Å²	142	72%	0.722	75%	0.747	S	S	*	*			trans	84	139.7	161.5	-61.4	180	-172.3	174.5	0	119.3
718	L	24.6	Very low	28.5	Very low	143 Å²	143	140.5 Å²	140.5	75%	0.749	74%	0.738	S	S	*	*			cis	-172.4	118.9	-23.2	-123.3	172.8	0	0	0	109
719	S	23.5	Very low	28.1	Very low	118 Å²	118	139.9 Å²	139.9	83%	0.825	74%	0.737	S	S	*	*			trans	167.5	135.2	139.4	43	0	0	0	0	115.1
720	L	21.4	Very low	27.7	Very low	168 Å²	168	140.5 Å²	140.5	88%	0.88	74%	0.741	S	S	*	*			trans	-119.9	-175.4	161	-84.6	160.8	0	0	0	106.2
721	P	38.3	Very low	27.3	Very low	110 Å²	110	138.6 Å²	138.6	71%	0.714	74%	0.74	S	S	*	*			cis	-124.7	-150.3	-8.3	45.1	-28.3	0	0	0	109.3
722	P	37.9	Very low	27	Very low	118 Å²	118	141.4 Å²	141.4	77%	0.766	74%	0.742	S	S	*	*			cis	-131.9	171.3	-12.9	41.5	-25.3	0	0	0	116.1
723	S	24.1	Very low	26.6	Very low	116 Å²	116	140.9 Å²	140.9	81%	0.811	74%	0.735	S	S	*	*			trans	-78.8	157.2	165.4	-23.5	0	0	0	0	112.6
724	R	25.1	Very low	26.3	Very low	232 Å²	232	138.1 Å²	138.1	88%	0.875	73%	0.733	S	S	*	*			trans	-156.4	127	140.4	-131.7	178.1	-176.6	-178.8	0.5	114.8
725	H	24	Very low	25.9	Very low	180 Å²	180	137.8 Å²	137.8	83%	0.833	73%	0.73	S	S	*	*			trans	-97.1	137.2	156.1	-123.9	75.1	0	0	0	107.9
726	M	25.3	Very low	25.6	Very low	132 Å²	132	135.6 Å²	135.6	65%	0.65	72%	0.724	S	S	*	*			trans	-163.8	134.8	157.7	-83.9	-64.7	96.8	0	0	104.8
727	M	23.7	Very low	25.5	Very low	136 Å²	136	137.9 Å²	137.9	67%	0.67	73%	0.727	S	S	*	*				66.9	137.1	53.3	-54.4	-115.5	-70.2	0	0	111.1
728	I	23	Very low	25.4	Very low	121 Å²	121	135.6 Å²	135.6	62%	0.621	72%	0.722	S	S	*	*			cis	-162.7	157.3	0.1	-129.8	172.3	0	0	0	108.5
729	D	20.6	Very low	25.4	Very low	151 Å²	151	134.9 Å²	134.9	81%	0.807	72%	0.718	S	S	*	*			trans	58.8	176	163	-70.1	-17.8	0	0	0	117.1
730	S	22.5	Very low	25.4	Very low	94 Å²	94	135.2 Å²	135.2	66%	0.657	71%	0.71	S	S	*	*			cis	-142.8	141.3	7.8	83.7	0	0	0	0	115.8
731	T	23.9	Very low	25.4	Very low	112 Å²	112	130.2 Å²	130.2	69%	0.687	69%	0.688	S	S	*	*			trans	57.1	146.1	133.8	60.9	0	0	0	0	123.1
732	Y	26.2	Very low	24.9	Very low	189 Å²	189	125.4 Å²	125.4	74%	0.741	66%	0.657	S	S	*	*			trans	77.6	142.9	142.9	-101.3	-138.2	0	0	0	117.7
733	E	26.8	Very low	25	Very low	132 Å²	132	122.3 Å²	122.3	62%	0.617	64%	0.637	S	S	*	*			cis	-144.7	158	-5.1	-160.6	170.8	-168	0	0	111.7
734	S	23.3	Very low	25.1	Very low	99 Å²	99	118.9 Å²	118.9	69%	0.692	61%	0.61	S	S	*	*			trans	-41.5	165.8	148.6	-4.5	0	0	0	0	113.3
735	A	23.9	Very low	25.1	Very low	74 Å²	74	112.4 Å²	112.4	61%	0.612	59%	0.592	S	S	*	*			cis	-159.6	-170.3	2	0	0	0	0	0	108.2
736	D	24.7	Very low	25.2	Very low	120 Å²	120	105.2 Å²	105.2	64%	0.642	56%	0.562	S	S	*	*			trans	59.5	137.3	138.4	-73.9	5	0	0	0	119.2
737	R	25.8	Very low	25.1	Very low	185 Å²	185	107.7 Å²	107.7	70%	0.698	57%	0.572	S	S	*	*			cis	-168.1	153.4	10.9	-123	178.4	-149.7	-100.6	-16.4	111
738	I	25.3	Very low	25.2	Very low	118 Å²	118	104.6 Å²	104.6	61%	0.605	57%	0.568	S	S	*	*				43.1	135.6	117	-71.1	-171.1	0	0	0	117.8
739	L	24	Very low	25.3	Very low	128 Å²	128	105.7 Å²	105.7	67%	0.67	58%	0.575	S	S	*	*			cis	-166.2	-168.8	2.8	-111.3	-175.8	0	0	0	109.9
740	L	22.8	Very low	25.3	Very low	125 Å²	125	104.8 Å²	104.8	65%	0.654	58%	0.575	S	S	*	*			trans	19.4	146	135.9	-60.4	174.1	0	0	0	120
741	S	21.7	Very low	25.4	Very low	62 Å²	62	105.5 Å²	105.5	43%	0.434	58%	0.58	S	S	.	*			cis	-170.5	-177.4	-10.3	52.6	0	0	0	0	110.8	H430	H430-S741 PolarHBondContact ND1-O 3.37Å; H430-S741 CarbonylContact O-C 3.54Å; H430-S741 WeakPolarHBondContact O-CA 3.46Å; H430-S741 VanDerWaalsContact O-CB 3.29Å; H430-S741 WeakPolarHBondContact O-CB 3.18Å
742	S	28.6	Very low	25.4	Very low	9 Å²	9	106.2 Å²	106.2	6%	0.063	59%	0.585	C	S	.	*			trans	-60.1	-170.4	152.1	-117.3	0	0	0	0	109.8	A333 H430 I432	A333-S742 WeakPolarHBondContact CB-OG 3.4Å; H430-S742 WeakPolarHBondContact CB-OG 3.44Å; H430-S742 PolarHBondContact ND1-N 2.88Å; H430-S742 PolarHBondContact O-N 3.34Å; I432-S742 VanDerWaalsContact CD1-CB 3.4Å
743	P	39.8	Very low	26.1	Very low	53 Å²	53	101.9 Å²	101.9	34%	0.344	58%	0.58	S	S	.	*			cis	-133.8	176.6	6.6	38	-19.4	0	0	0	115	A333 E334 Q335 S338 I432	A333-P743 CarbonylContact O-C 3.52Å; A333-P743 VanDerWaalsContact O-CA 3.28Å; A333-P743 WeakPolarHBondContact O-CA 3.5Å; E334-P743 CarbonylContact C-O 3.52Å; E334-P743 WeakPolarHBondContact CA-O 3.48Å; E334-P743 PolarHBondContact N-O 3.2Å; Q335-P743 PolarHBondContact N-O 3.17Å; S338-P743 WeakPolarHBondContact OG-CB 3.45Å; I432-P743 HydrophobicContact CD1-CB 4.16Å
744	I	26.6	Very low	26	Very low	45 Å²	45	103.4 Å²	103.4	23%	0.231	59%	0.592	C	S	.	*			trans	123.2	-148.8	143.4	-108.8	114.1	0	0	0	111.3	A333 E334 Q335 S336 L337 S338 S339	A333-I744 CarbonylContact C-O 3.56Å; A333-I744 WeakPolarHBondContact CA-O 3.43Å; E334-I744 PolarHBondContact N-O 3.37Å; Q335-I744 VanDerWaalsContact CA-CG2 3.41Å; Q335-I744 WeakPolarHBondContact O-CG2 3.48Å; S336-I744 VanDerWaalsContact C-CB 3.41Å; S336-I744 WeakPolarHBondContact O-CG1 3.28Å; L337-I744 WeakPolarHBondContact CB-O 3.47Å; L337-I744 VanDerWaalsContact N-CG1 3.3Å; L337-I744 PolarHBondContact N-O 2.91Å; S338-I744 VanDerWaalsContact N-CG1 3.32Å; S339-I744 WeakPolarHBondContact OG-CD1 3.24Å
745	L	24.9	Very low	25.9	Very low	95 Å²	95	101.7 Å²	101.7	50%	0.497	59%	0.59	S	S	.	*			cis	-99	130.7	-39.4	178.4	56.4	0	0	0	118.7	Q335 S336 L337	Q335-L745 HydrophobicContact CB-CB 3.99Å; Q335-L745 HydrophobicContact CB-CD2 4.37Å; S336-L745 VanDerWaalsContact CA-CA 3.44Å; S336-L745 WeakPolarHBondContact OG-CD1 3.42Å; L337-L745 VanDerWaalsContact CB-O 3.27Å; L337-L745 WeakPolarHBondContact CB-O 3.3Å; L337-L745 WeakPolarHBondContact CD1-O 3.42Å; L337-L745 WeakPolarHBondContact CG-O 3.4Å; L337-L745 VanDerWaalsContact N-C 3.29Å
746	S	25	Very low	26.1	Very low	30 Å²	30	106.6 Å²	106.6	21%	0.21	61%	0.605	C	S	.	*			trans	-126.3	154.1	-171.3	53.6	0	0	0	0	118.4	S336 D340	S336-S746 PolarHBondContact O-OG 3.28Å; D340-S746 WeakPolarHBondContact OD2-CB 3.23Å; D340-S746 PolarHBondContact OD2-OG 3.04Å
747	Q	25.2	Very low	26.1	Very low	183 Å²	183	106 Å²	106	86%	0.855	61%	0.61	S	S	*	*			trans	153.9	170	145.5	-87.7	160.4	83.1	0	0	111.9
748	A	24.9	Very low	26.8	Very low	72 Å²	72	102.7 Å²	102.7	60%	0.595	61%	0.612	S	S	*	*			cis	-174.6	160.3	-42.3	0	0	0	0	0	110.3
749	N	24.1	Very low	26.9	Very low	144 Å²	144	101.7 Å²	101.7	77%	0.77	62%	0.616	S	S	*	*			trans	65.7	134.9	153	-63.6	-19.2	0	0	0	123.9
750	T	22.4	Very low	27.1	Very low	132 Å²	132	103.5 Å²	103.5	81%	0.81	63%	0.626	S	S	*	*			trans	65.8	153	141.1	50.3	0	0	0	0	120.7
751	S	23.3	Very low	27.3	Very low	109 Å²	109	101.5 Å²	101.5	76%	0.762	64%	0.635	S	S	*	*			cis	-164.1	166.5	-11	44.8	0	0	0	0	112.2
752	T	25.1	Very low	27.6	Very low	127 Å²	127	103.1 Å²	103.1	78%	0.779	65%	0.652	S	S	*	*			trans	-69.6	-179.4	163.7	52.7	0	0	0	0	112.2
753	P	39.8	Very low	27.7	Very low	98 Å²	98	111.1 Å²	111.1	64%	0.636	69%	0.689	S	S	*	*			cis	-143.6	-170.6	10.4	45.4	-26.1	0	0	0	117.5
754	N	24.4	Very low	27.2	Very low	163 Å²	163	113.7 Å²	113.7	87%	0.872	71%	0.708	S	S	*	*			trans	67.1	153.8	160.5	-58.7	-20.3	0	0	0	117.9
755	G	22.6	Very low	27.2	Very low	64 Å²	64	115.8 Å²	115.8	66%	0.66	73%	0.727	S	S	*	*			cis	169.5	-169.7	-4.9	0	0	0	0	0	111.7
756	I	27.2	Very low	27.4	Very low	177 Å²	177	117 Å²	117	91%	0.908	74%	0.738	S	S	*	*			trans	83.6	135.2	170.5	-54.2	168.7	0	0	0	116.8
757	S	24.9	Very low	27.6	Very low	108 Å²	108	122.9 Å²	122.9	76%	0.755	76%	0.762	S	S	*	*			trans	-118	-174.9	174.3	-44.9	0	0	0	0	108.4
758	P	40.6	Very low	27.9	Very low	114 Å²	114	119.7 Å²	119.7	74%	0.74	75%	0.751	S	S	*	*			cis	-145.5	-160.9	9.8	42	-19.6	0	0	0	115.6
759	S	26.8	Very low	28.1	Very low	98 Å²	98	123.5 Å²	123.5	69%	0.685	76%	0.756	S	S	*	*			trans	111.7	119.4	140.7	75.4	0	0	0	0	120.6
760	N	28.3	Very low	28.4	Very low	166 Å²	166	123.7 Å²	123.7	89%	0.888	76%	0.756	S	S	*	*			trans	50	131.8	131.3	-54.5	-3.3	0	0	0	122.4
761	G	26.4	Very low	28.7	Very low	82 Å²	82	124.6 Å²	124.6	85%	0.845	76%	0.756	S	S	*	*				130	106.5	128.3	0	0	0	0	0	118
762	A	28.4	Very low	28.9	Very low	96 Å²	96	130.5 Å²	130.5	79%	0.793	76%	0.763	S	S	*	*			trans	-109	165.6	144.2	0	0	0	0	0	107.1
763	E	30.7	Very low	29.1	Very low	178 Å²	178	128.6 Å²	128.6	83%	0.832	76%	0.76	S	S	*	*			cis	-165.6	155.3	25.8	-161.2	172.1	-123	0	0	111.6
764	S	29.2	Very low	29.9	Very low	106 Å²	106	129.4 Å²	129.4	74%	0.741	77%	0.765	S	S	*	*			trans	70.6	164.5	159.3	105.6	0	0	0	0	118
765	S	28	Very low	30	Very low	90 Å²	90	129.3 Å²	129.3	63%	0.629	76%	0.763	S	S	*	*			cis	-165.5	168.1	-6.1	33.2	0	0	0	0	113.1
766	T	29.1	Very low	30.3	Very low	119 Å²	119	130.4 Å²	130.4	73%	0.73	77%	0.766	S	S	*	*			trans	77.2	162.8	163.4	80.4	0	0	0	0	118.3
767	H	28.8	Very low	30.3	Very low	154 Å²	154	126.9 Å²	126.9	71%	0.713	76%	0.757	S	S	*	*			cis	-155.1	158.6	9.7	-127	-63.1	0	0	0	112.5
768	N	30.3	Very low	30.5	Very low	116 Å²	116	127.1 Å²	127.1	62%	0.62	76%	0.759	S	S	*	*			trans	69.8	160.9	149.3	-79.9	16.6	0	0	0	124.1
769	E	29.3	Very low	29.9	Very low	152 Å²	152	133 Å²	133	71%	0.71	77%	0.766	S	S	*	*			cis	-178.9	174.8	-28.5	-171.5	165	-135.7	0	0	111.4
770	I	30.7	Very low	29.9	Very low	149 Å²	149	133.1 Å²	133.1	76%	0.764	77%	0.767	S	S	*	*			trans	102	132.7	156.6	-53.9	-179.8	0	0	0	119.3
771	D	28.9	Very low	29.9	Very low	151 Å²	151	129.8 Å²	129.8	81%	0.807	76%	0.757	S	S	*	*			trans	-93	170.3	-176.6	-62.8	-79.1	0	0	0	116.4
772	Y	28.2	Very low	29.9	Very low	233 Å²	233	133.2 Å²	133.2	91%	0.914	76%	0.756	S	S	*	*			trans	-166	156.8	130.4	-106.2	-71.1	0	0	0	112.3
773	A	28.9	Very low	29.8	Very low	87 Å²	87	139.3 Å²	139.3	72%	0.719	76%	0.758	S	S	*	*			trans	-161.1	-175.2	-179.6	0	0	0	0	0	110.6
774	P	55.5	Low	29.6	Very low	114 Å²	114	135.3 Å²	135.3	74%	0.74	75%	0.75	S	S	*	*			cis	-127.5	-161.6	-22.1	38.9	-20.8	0	0	0	112
775	I	27.8	Very low	29.5	Very low	161 Å²	161	139.7 Å²	139.7	83%	0.826	76%	0.756	S	S	*	*			trans	167.4	137	132.9	-87.7	161	0	0	0	116.1
776	A	28.6	Very low	29.3	Very low	87 Å²	87	140.2 Å²	140.2	72%	0.719	77%	0.765	S	S	*	*			trans	50.7	123.8	154.1	0	0	0	0	0	126.4
777	S	27	Very low	29.1	Very low	104 Å²	104	140.1 Å²	140.1	73%	0.727	77%	0.769	S	S	*	*				38	132	122.1	-162.3	0	0	0	0	120.7
778	S	29.1	Very low	29	Very low	113 Å²	113	136.3 Å²	136.3	79%	0.79	77%	0.772	S	S	*	*				-173.3	179.1	75.8	-67	0	0	0	0	116.2
779	R	27.3	Very low	28.8	Very low	236 Å²	236	135.8 Å²	135.8	89%	0.891	78%	0.777	S	S	*	*			trans	-75.2	162.1	-167.4	-65.2	168.8	157.9	160.3	-8.6	118.4
780	S	26.5	Very low	28.6	Very low	101 Å²	101	135.4 Å²	135.4	71%	0.706	78%	0.779	S	S	*	*			trans	73.2	107.4	134.4	58.6	0	0	0	0	124
781	S	28.3	Very low	28.4	Very low	97 Å²	97	134.9 Å²	134.9	68%	0.678	78%	0.778	S	S	*	*				31.8	122.9	126.8	62.5	0	0	0	0	122.5
782	N	26.6	Very low	28.2	Very low	153 Å²	153	135.2 Å²	135.2	82%	0.818	78%	0.778	S	S	*	*				175.8	144.9	102.8	-96.9	-42.1	0	0	0	116.9
783	R	26.2	Very low	28.3	Very low	225 Å²	225	128 Å²	128	85%	0.849	77%	0.767	S	S	*	*			trans	21.8	133.5	144.2	-114.2	-172.9	171.7	-172.4	-1.2	123.5
784	S	28.1	Very low	28.2	Very low	93 Å²	93	132.6 Å²	132.6	65%	0.65	78%	0.776	S	S	*	*			trans	91.7	115	133.6	-62.1	0	0	0	0	123.5
785	K	25.8	Very low	26.9	Very low	199 Å²	199	138.9 Å²	138.9	87%	0.865	79%	0.785	S	S	*	*			trans	47.7	124.3	130.9	-65.6	-171.9	173.9	-171.6	0	122.9
786	A	24.6	Very low	27	Very low	101 Å²	101	135.6 Å²	135.6	84%	0.835	78%	0.776	S	S	*	*			trans	60	155.1	139.2	0	0	0	0	0	118.9
787	S	25.3	Very low	27.1	Very low	116 Å²	116	139.9 Å²	139.9	81%	0.811	78%	0.781	S	S	*	*			cis	-152.8	149.2	-12.7	41.6	0	0	0	0	105.3
788	G	24.9	Very low	27.3	Very low	75 Å²	75	140.8 Å²	140.8	77%	0.773	78%	0.776	S	S	*	*			cis	105.1	115.1	46.4	0	0	0	0	0	109.5
789	S	26.1	Very low	28	Very low	104 Å²	104	141.1 Å²	141.1	73%	0.727	78%	0.775	S	S	*	*			trans	-170.5	123.9	166.3	-144	0	0	0	0	111.3
790	I	25.8	Very low	28.2	Very low	145 Å²	145	136.2 Å²	136.2	74%	0.744	76%	0.762	S	S	*	*				53.3	129	123.1	-61.3	176.5	0	0	0	117.2
791	D	25.8	Very low	28.4	Very low	138 Å²	138	143 Å²	143	74%	0.738	77%	0.772	S	S	*	*			cis	-149.4	-178.1	48.2	-140.8	-22.4	0	0	0	117.5
792	L	26.6	Very low	28.7	Very low	157 Å²	157	146 Å²	146	82%	0.822	78%	0.779	S	S	*	*			trans	-60.1	169.7	178.7	-101.9	59.5	0	0	0	116.2
793	A	28.8	Very low	29.1	Very low	83 Å²	83	142.2 Å²	142.2	69%	0.686	77%	0.769	S	S	*	*			cis	-162.1	176.4	5.3	0	0	0	0	0	113.6
794	M	28.2	Very low	29.4	Very low	182 Å²	182	136.6 Å²	136.6	90%	0.897	76%	0.756	S	S	*	*			trans	71.7	105	157.8	-70.5	-156.2	173.8	0	0	121.4
795	R	28.4	Very low	29.7	Very low	246 Å²	246	139.8 Å²	139.8	93%	0.928	76%	0.761	S	S	*	*				-170.3	156.4	97.6	-105.8	-172.4	178.6	-152.1	-1	112.7
796	S	29.5	Very low	30	Very low	92 Å²	92	138.2 Å²	138.2	64%	0.643	76%	0.761	S	S	*	*			trans	-90.8	175.8	162.6	62.9	0	0	0	0	109.9
797	E	30.7	Very low	30.4	Very low	178 Å²	178	138.3 Å²	138.3	83%	0.832	75%	0.747	S	S	*	*			cis	-151.3	-171.8	19.6	-145.5	135.6	-89.6	0	0	112.4
798	M	29.9	Very low	30.7	Very low	123 Å²	123	138.5 Å²	138.5	61%	0.606	74%	0.739	S	S	*	*			trans	-125.1	168.7	-165.1	-107.7	-87.4	-76.4	0	0	110.3	H800	M798-H800 HydrophobicContact CE-CB 4.16Å; M798-H800 HydrophobicContact SD-CB 4.4Å; M798-H800 PolarHBondContact SD-N 3.44Å; M798-H800 VanDerWaalsContact SD-N 3.38Å
799	P	44.4	Very low	31.1	Very low	120 Å²	120	142 Å²	142	78%	0.779	74%	0.738	S	S	*	*				-148.6	152.9	54.2	38.7	-16.8	0	0	0	120
800	H	32.1	Very low	31.4	Very low	133 Å²	133	145.6 Å²	145.6	62%	0.616	74%	0.741	S	S	*	*			trans	-81.6	161.1	158.1	-57.2	-49.1	0	0	0	112.2	M798	M798-H800 HydrophobicContact CE-CB 4.16Å; M798-H800 HydrophobicContact SD-CB 4.4Å; M798-H800 PolarHBondContact SD-N 3.44Å; M798-H800 VanDerWaalsContact SD-N 3.38Å
801	R	30.4	Very low	31.6	Very low	244 Å²	244	146 Å²	146	92%	0.921	74%	0.738	S	S	*	*			trans	-145.7	11.1	165.7	-130.3	-175.9	-166.3	-152.8	2.9	119.3
802	I	34.6	Very low	31.7	Very low	158 Å²	158	147.3 Å²	147.3	81%	0.81	75%	0.745	S	S	*	*	S	Bend	trans	-119.9	-24.3	179.1	-61.7	178.6	0	0	0	113.3	N804	I802-N804 PolarHBondContact O-N 3.36Å
803	A	34.1	Very low	31.6	Very low	75 Å²	75	145.7 Å²	145.7	62%	0.62	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-11.6	-172	0	0	0	0	0	116.3
804	N	34.2	Very low	31.4	Very low	106 Å²	106	147.1 Å²	147.1	57%	0.567	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	-13.8	-170.6	-82.2	1.7	0	0	0	115.1	I802 N807	I802-N804 PolarHBondContact O-N 3.36Å; N804-N807 PolarHBondContact O-N 2.9Å
805	E	32.7	Very low	31.3	Very low	161 Å²	161	146.5 Å²	146.5	75%	0.752	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-34.7	-170	-148.7	149.2	-132.7	0	0	112.4	N807	E805-N807 VanDerWaalsContact C-N 3.32Å; E805-N807 PolarHBondContact O-N 3.49Å
806	L	33.3	Very low	31.2	Very low	166 Å²	166	140.7 Å²	140.7	87%	0.869	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-7.5	177.7	-66.7	175.4	0	0	0	114.9
807	N	32.9	Very low	30.9	Very low	103 Å²	103	141.2 Å²	141.2	55%	0.551	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.3	-20.8	-175.2	-151.6	4.3	0	0	0	113.1	N804 E805	N804-N807 PolarHBondContact O-N 2.9Å; E805-N807 VanDerWaalsContact C-N 3.32Å; E805-N807 PolarHBondContact O-N 3.49Å
808	N	31.4	Very low	30.6	Very low	120 Å²	120	142 Å²	142	64%	0.642	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-81.6	-15.4	-176.7	-82.7	-7.7	0	0	0	114.7	F810	N808-F810 PolarHBondContact O-N 3.08Å
809	I	34.4	Very low	30.3	Very low	148 Å²	148	139.7 Å²	139.7	76%	0.759	76%	0.763	S	S	*	*	G	3₁₀ helix	trans	-68	-25.1	173.8	-65.4	176.4	0	0	0	111.5
810	F	31.5	Very low	29.3	Very low	180 Å²	180	139.3 Å²	139.3	79%	0.789	76%	0.763	S	S	*	*	G	3₁₀ helix	trans	-96.8	-5.5	-171.9	-97.3	-79.5	0	0	0	116.1	N808	N808-F810 PolarHBondContact O-N 3.08Å
811	K	30.2	Very low	29.1	Very low	152 Å²	152	143.1 Å²	143.1	66%	0.661	78%	0.778	S	S	*	*	S	Bend	trans	-149.7	89.1	-175.6	-66.3	-177.6	-176.1	168.6	0	113.5
812	N	27.6	Very low	28.9	Very low	167 Å²	167	135.2 Å²	135.2	89%	0.893	77%	0.772	S	S	*	*				174.3	92.1	128.6	-88.9	-16.1	0	0	0	113.1
813	S	24.4	Very low	28.5	Very low	123 Å²	123	136.1 Å²	136.1	86%	0.86	78%	0.777	S	S	*	*			trans	-155.8	65.9	157.1	55	0	0	0	0	112
814	S	24.2	Very low	28.2	Very low	112 Å²	112	137.5 Å²	137.5	78%	0.783	78%	0.782	S	S	*	*			trans	-135.3	125.4	161.4	-53.2	0	0	0	0	105.2
815	L	26.8	Very low	27.7	Very low	169 Å²	169	139.3 Å²	139.3	89%	0.885	80%	0.797	S	S	*	*				-151	157.4	56.9	-75.5	137.3	0	0	0	108.9
816	S	25.1	Very low	27.4	Very low	125 Å²	125	138.4 Å²	138.4	87%	0.874	80%	0.796	S	S	*	*				-145.5	175.1	74.7	55.9	0	0	0	0	114
817	S	24.3	Very low	27.2	Very low	102 Å²	102	141.7 Å²	141.7	71%	0.713	80%	0.797	S	S	*	*			trans	-116.8	135.4	-167.9	160.7	0	0	0	0	112.1
818	E	23.7	Very low	26.9	Very low	196 Å²	196	144.6 Å²	144.6	92%	0.916	81%	0.807	S	S	*	*				-177.1	166.4	119.5	-100.2	176.7	-172.2	0	0	110.6
819	G	24.3	Very low	26.7	Very low	73 Å²	73	143 Å²	143	75%	0.753	81%	0.805	S	S	*	*			trans	123.1	31.4	161	0	0	0	0	0	121.5
820	S	23.5	Very low	26.3	Very low	113 Å²	113	145.6 Å²	145.6	79%	0.79	81%	0.813	S	S	*	*			trans	25.5	110.2	151.1	-169.5	0	0	0	0	121.2
821	K	28.1	Very low	26.1	Very low	212 Å²	212	143 Å²	143	92%	0.922	81%	0.812	S	S	*	*				-178.5	132.9	128.8	-99	156.1	-173.2	175.2	0	110.8
822	G	25.3	Very low	25.8	Very low	78 Å²	78	144.6 Å²	144.6	80%	0.804	82%	0.822	S	S	*	*			trans	-108	145.2	-176.9	0	0	0	0	0	113.9
823	I	26.1	Very low	26	Very low	178 Å²	178	142.2 Å²	142.2	91%	0.913	82%	0.816	S	S	*	*			trans	-129	152.6	169.2	-68.7	-178.4	0	0	0	108.8
824	S	27.1	Very low	26	Very low	104 Å²	104	141.3 Å²	141.3	73%	0.727	81%	0.809	S	S	*	*			trans	-86.7	151.1	-161.2	45.4	0	0	0	0	116.1
825	V	25.3	Very low	26.2	Very low	144 Å²	144	147.9 Å²	147.9	87%	0.873	82%	0.817	S	S	*	*			trans	-73.5	134.7	160.2	174.4	0	0	0	0	109.8
826	L	26.5	Very low	26.2	Very low	142 Å²	142	145.9 Å²	145.9	74%	0.743	81%	0.812	S	S	*	*			trans	-151.9	145.1	158.8	-113.7	174.6	0	0	0	112.3
827	R	28.1	Very low	26.3	Very low	234 Å²	234	146.3 Å²	146.3	88%	0.883	81%	0.805	S	S	*	*			trans	-78.1	140.9	169	-65.5	172.8	174.1	167.9	-4.7	109.9
828	H	27.2	Very low	26.5	Very low	165 Å²	165	148.8 Å²	148.8	76%	0.764	81%	0.81	S	S	*	*			trans	-141.9	156.5	163.9	-84.3	34.6	0	0	0	108.5
829	S	26.8	Very low	26.8	Very low	86 Å²	86	149.2 Å²	149.2	60%	0.601	80%	0.803	S	S	*	*			cis	-175.9	123.9	-38.7	44.1	0	0	0	0	107.8
830	H	25.4	Very low	27	Very low	202 Å²	202	155 Å²	155	94%	0.935	81%	0.81	S	S	*	*			trans	-75.6	144	159	-83.1	-89.3	0	0	0	109
831	V	27.3	Very low	27.3	Very low	126 Å²	126	157.4 Å²	157.4	76%	0.764	81%	0.809	S	S	*	*			trans	-125.4	115.4	178.4	178.9	0	0	0	0	109
832	E	25	Very low	27.3	Very low	185 Å²	185	155.7 Å²	155.7	86%	0.864	81%	0.809	S	S	*	*			trans	-105.3	145.2	159.2	-71.1	-170.9	140.1	0	0	108.9	S834	E832-S834 PolarHBondContact O-N 3.27Å
833	P	32.1	Very low	27.5	Very low	118 Å²	118	158.7 Å²	158.7	77%	0.766	81%	0.807	S	S	*	*			trans	-84.8	112.9	178.9	32.1	-32.3	0	0	0	111.9
834	S	24	Very low	27.5	Very low	103 Å²	103	158.8 Å²	158.8	72%	0.72	81%	0.805	S	S	*	*			trans	-88.5	126.8	171	60	0	0	0	0	112.1	E832	E832-S834 PolarHBondContact O-N 3.27Å
835	W	27.9	Very low	27.6	Very low	251 Å²	251	164.3 Å²	164.3	95%	0.951	81%	0.81	S	S	*	*			trans	-111.8	110.6	160.2	-74	97	0	0	0	109
836	T	27.8	Very low	27.8	Very low	127 Å²	127	162 Å²	162	78%	0.779	80%	0.801	S	S	*	*			trans	-93.1	138.9	180	47.6	0	0	0	0	111.8
837	D	27.1	Very low	27.8	Very low	134 Å²	134	163 Å²	163	72%	0.717	80%	0.804	S	S	*	*			trans	-55.4	153.8	167.8	-171.4	12.8	0	0	0	111.3
838	N	28.3	Very low	27.8	Very low	154 Å²	154	156.3 Å²	156.3	82%	0.824	79%	0.792	S	S	*	*			trans	-147	96	176.3	-151.8	1.7	0	0	0	110.8
839	R	28.9	Very low	28	Very low	205 Å²	205	154.5 Å²	154.5	77%	0.774	79%	0.793	S	S	*	*			trans	-124.2	119.2	173.5	-80.9	-175.5	168.6	-158.8	0.7	109.9
840	E	29	Very low	28.2	Very low	193 Å²	193	157.2 Å²	157.2	90%	0.902	80%	0.801	S	S	*	*			trans	-127.8	156.6	152.4	-71.4	-154.7	135.8	0	0	110.6
841	H	30.5	Very low	29.4	Very low	164 Å²	164	152.4 Å²	152.4	76%	0.759	79%	0.787	S	S	*	*			trans	-99.1	156.3	-169.2	-76.1	-109.5	0	0	0	112.3
842	L	27.2	Very low	29.6	Very low	177 Å²	177	153.3 Å²	153.3	93%	0.927	79%	0.788	S	S	*	*			trans	-157.6	148.4	136	-108.2	157.7	0	0	0	111.4
843	N	29.8	Very low	30	Very low	141 Å²	141	152.6 Å²	152.6	75%	0.754	78%	0.784	S	S	*	*			trans	-97.9	157.4	177.5	-80.8	-52	0	0	0	110.7
844	M	27.1	Very low	30	Very low	179 Å²	179	154.5 Å²	154.5	88%	0.882	78%	0.783	S	S	*	*				-176.2	161.6	119.4	-99.2	-65.1	-92.6	0	0	115.3
845	R	29.2	Very low	30.4	Very low	221 Å²	221	159.9 Å²	159.9	83%	0.834	79%	0.788	S	S	*	*			trans	-80.2	167.8	168.5	-88.1	176	167.9	175.2	-6	110.8
846	S	28.9	Very low	30.6	Very low	96 Å²	96	155.5 Å²	155.5	67%	0.671	78%	0.778	S	S	*	*			cis	179.1	164.2	-9.8	50.8	0	0	0	0	111.6
847	M	27	Very low	30.8	Very low	163 Å²	163	160.8 Å²	160.8	80%	0.803	79%	0.785	S	S	*	*			trans	84.9	130.6	155.2	-56.9	-145	67.6	0	0	121.8
848	S	28.3	Very low	31.1	Very low	92 Å²	92	160.5 Å²	160.5	64%	0.643	79%	0.788	S	S	*	*			trans	26	141.8	144.6	59.4	0	0	0	0	121.3
849	T	30.4	Very low	31.5	Very low	128 Å²	128	158.1 Å²	158.1	79%	0.785	78%	0.784	S	S	*	*				-156.9	174.9	60	43.5	0	0	0	0	115.9
850	D	30.8	Very low	32.2	Very low	143 Å²	143	154.1 Å²	154.1	77%	0.765	78%	0.784	S	S	*	*			trans	-75	-165	-177.4	-32.8	-94.6	0	0	0	115.3
851	P	51.9	Low	32.8	Very low	100 Å²	100	150 Å²	150	65%	0.649	77%	0.774	S	S	*	*			cis	-134.1	-167.9	-38.4	30.8	-8.5	0	0	0	114.3
852	D	30.4	Very low	33.7	Very low	145 Å²	145	148.4 Å²	148.4	78%	0.775	78%	0.778	S	S	*	*			trans	67.5	152.3	156	-54.9	-29.7	0	0	0	119.5
853	E	32.7	Very low	34.3	Very low	170 Å²	170	145.7 Å²	145.7	79%	0.794	77%	0.771	S	S	*	*			cis	-149.9	168.1	2.1	-138.1	177.8	-166.2	0	0	112.5
854	E	32.5	Very low	34.5	Very low	158 Å²	158	147 Å²	147	74%	0.738	78%	0.778	S	S	*	*			trans	-0.1	138.6	171.5	-63.8	-174.1	167.1	0	0	122.3
855	R	32.3	Very low	34.5	Very low	216 Å²	216	146.6 Å²	146.6	82%	0.815	78%	0.778	S	S	*	*				-163.9	166.3	76.3	-94.5	-170.4	-174.7	-168.8	2.1	117.7
856	E	32.2	Very low	34.6	Very low	159 Å²	159	141.7 Å²	141.7	74%	0.743	78%	0.777	S	S	*	*			trans	-39.8	142.6	-176.7	-54.7	164.6	104.9	0	0	119
857	Y	32.6	Very low	34.5	Very low	238 Å²	238	143.4 Å²	143.4	93%	0.933	78%	0.784	S	S	*	*				-153.9	143.2	127.8	-111.4	-75.6	0	0	0	110.8
858	V	33.3	Very low	34.6	Very low	128 Å²	128	144.1 Å²	144.1	78%	0.776	78%	0.783	S	S	*	*			trans	-112	128.4	-172.2	173.6	0	0	0	0	111.6
859	S	37	Very low	34.7	Very low	105 Å²	105	149.6 Å²	149.6	73%	0.734	79%	0.791	S	S	*	*			trans	-72.3	154	172.2	-45.7	0	0	0	0	112
860	P	43.2	Very low	34.6	Very low	121 Å²	121	149.7 Å²	149.7	79%	0.786	79%	0.791	S	S	*	*				-141.3	-145.5	104.9	40.9	-23.7	0	0	0	112.5
861	P	41.8	Very low	34.5	Very low	107 Å²	107	148.2 Å²	148.2	70%	0.695	79%	0.792	S	S	*	*				-119.1	168.9	-120.4	31.4	-9.4	0	0	0	115.8
862	P	48.9	Very low	33.2	Very low	129 Å²	129	147.9 Å²	147.9	84%	0.838	80%	0.797	S	S	*	*			trans	-79.1	142	174.4	32.5	-35.1	0	0	0	112.8
863	P	40.1	Very low	33.2	Very low	120 Å²	120	145.3 Å²	145.3	78%	0.779	80%	0.797	S	S	*	*			trans	-143.2	164	134.9	37.6	-23.3	0	0	0	116.2
864	L	33.2	Very low	32.9	Very low	170 Å²	170	142.5 Å²	142.5	89%	0.89	80%	0.796	S	S	*	*			trans	-36.3	149.4	170.9	-56.4	162.4	0	0	0	117.1
865	L	27.7	Very low	32.5	Very low	169 Å²	169	140.6 Å²	140.6	89%	0.885	80%	0.798	S	S	*	*			trans	-138.5	145.2	152	-94.4	177.9	0	0	0	112.6
866	S	30.8	Very low	32.4	Very low	118 Å²	118	135.1 Å²	135.1	83%	0.825	79%	0.793	S	S	*	*			trans	-155.6	120.1	171.7	-178.4	0	0	0	0	109.6
867	T	28	Very low	32	Very low	133 Å²	133	135.4 Å²	135.4	82%	0.816	80%	0.798	S	S	*	*			trans	-158.9	161.8	171.9	12	0	0	0	0	111.7
868	K	29.1	Very low	31.8	Very low	177 Å²	177	129.1 Å²	129.1	77%	0.77	79%	0.789	S	S	*	*			trans	-118.8	-174.3	-175.7	-64.8	177.8	176.3	-178.5	0	112
869	Y	29.5	Very low	32.4	Very low	208 Å²	208	128.8 Å²	128.8	82%	0.816	79%	0.79	S	S	*	*			trans	83.8	156	162.1	-57.2	-75.9	0	0	0	116.4
870	V	28	Very low	32	Very low	129 Å²	129	128 Å²	128	78%	0.782	79%	0.789	S	S	*	*			cis	-140.2	127.5	11	177.4	0	0	0	0	107.4
871	S	28.7	Very low	31.9	Very low	112 Å²	112	128.4 Å²	128.4	78%	0.783	79%	0.792	S	S	*	*				79.2	127.4	72	-156.2	0	0	0	0	119.4
872	A	24.9	Very low	31.3	Very low	93 Å²	93	134.8 Å²	134.8	77%	0.769	80%	0.802	S	S	*	*			trans	-159.1	115.5	147.8	0	0	0	0	0	107.4
873	A	30.3	Very low	30.5	Very low	92 Å²	92	135.1 Å²	135.1	76%	0.76	80%	0.802	S	S	*	*				71.6	129.3	85.2	0	0	0	0	0	113.6
874	S	27.6	Very low	29.9	Very low	111 Å²	111	137.6 Å²	137.6	78%	0.776	81%	0.807	S	S	*	*			cis	-155.8	163.5	25.5	-50.1	0	0	0	0	115.1
875	C	24.4	Very low	29.6	Very low	117 Å²	117	136 Å²	136	79%	0.791	80%	0.799	S	S	*	*			trans	43.3	112.6	151.6	-62.8	0	0	0	0	121.1
876	S	28.4	Very low	29.7	Very low	102 Å²	102	134.6 Å²	134.6	71%	0.713	79%	0.791	S	S	*	*				79.8	124.4	69	73.4	0	0	0	0	115.2
877	I	25	Very low	29.6	Very low	165 Å²	165	137.1 Å²	137.1	85%	0.846	79%	0.787	S	S	*	*				-161.8	168.4	89.8	-86.4	160	0	0	0	111.1
878	S	27.6	Very low	29.7	Very low	106 Å²	106	138 Å²	138	74%	0.741	78%	0.782	S	S	*	*			trans	-130.6	-158.7	-175.7	-42.7	0	0	0	0	110.7
879	P	46.7	Very low	29.6	Very low	121 Å²	121	140.8 Å²	140.8	79%	0.786	79%	0.788	S	S	*	*			cis	-140.1	-170.3	-15.9	41.9	-23	0	0	0	115.9
880	A	28.6	Very low	29.6	Very low	87 Å²	87	138.9 Å²	138.9	72%	0.719	78%	0.783	S	S	*	*			trans	77.6	158.8	154.5	0	0	0	0	0	119
881	P	40	Very low	29.8	Very low	130 Å²	130	138.1 Å²	138.1	84%	0.844	78%	0.775	S	S	*	*				-131	179.2	82.9	40.4	-31.1	0	0	0	115.8
882	R	31	Very low	29.8	Very low	241 Å²	241	137.1 Å²	137.1	91%	0.909	77%	0.768	S	S	*	*			trans	-118.1	168	173.9	-82.2	-172.8	176.6	-175.9	0.2	111.7
883	T	30.6	Very low	30.1	Very low	137 Å²	137	142.6 Å²	142.6	84%	0.84	77%	0.769	S	S	*	*			trans	-61.9	146.3	172.8	38.6	0	0	0	0	114.8
884	I	28.5	Very low	30.1	Very low	171 Å²	171	143.8 Å²	143.8	88%	0.877	76%	0.762	S	S	*	*			trans	-134.7	157.9	154.1	-64.7	-174.5	0	0	0	107.1
885	D	27.4	Very low	30.2	Very low	138 Å²	138	145.2 Å²	145.2	74%	0.738	76%	0.761	S	S	*	*			trans	-127.8	179.2	-163.4	-174.2	14.2	0	0	0	111.1
886	I	29.5	Very low	30.4	Very low	138 Å²	138	146.7 Å²	146.7	71%	0.708	76%	0.76	S	S	*	*			trans	80.4	132.9	168.4	-52.4	158	0	0	0	113
887	K	28.2	Very low	30.3	Very low	172 Å²	172	152.2 Å²	152.2	75%	0.748	77%	0.767	S	S	*	*			cis	-151.3	159.1	23	-148.1	152.5	-171.2	171.3	0	116.8
888	E	29.9	Very low	30.8	Very low	150 Å²	150	148.3 Å²	148.3	70%	0.701	76%	0.759	S	S	*	*			trans	-23.9	135.5	168.2	-53.2	162.2	93.1	0	0	122.3
889	R	27.8	Very low	31.5	Very low	237 Å²	237	149.2 Å²	149.2	89%	0.894	76%	0.763	S	S	*	*				179.2	118.4	114.7	-94.1	167.8	-176.9	-171.8	0.8	108.8
890	K	29.1	Very low	30.6	Very low	167 Å²	167	150.6 Å²	150.6	73%	0.726	76%	0.762	S	S	*	*				59.5	129.5	81.5	-79.6	-171.5	145.6	-99.2	0	114.1
891	D	31.3	Very low	30.6	Very low	114 Å²	114	152.6 Å²	152.6	61%	0.61	77%	0.765	S	S	*	*			cis	-149.4	156.8	8.1	-101.8	-48.1	0	0	0	111.7
892	S	29.8	Very low	30.2	Very low	91 Å²	91	157.9 Å²	157.9	64%	0.636	77%	0.768	S	S	*	*			trans	49	124.2	160.2	-66.4	0	0	0	0	119
893	R	30.4	Very low	30	Very low	207 Å²	207	151.2 Å²	151.2	78%	0.781	77%	0.765	S	S	*	*			cis	-171.9	-169.2	16.6	-120.6	-176.8	-108.7	175.5	-0.6	108.7
894	D	30.7	Very low	29.9	Very low	117 Å²	117	150.3 Å²	150.3	63%	0.626	76%	0.759	S	S	*	*			cis	-145	-161.6	8.9	-138.8	-35.4	0	0	0	113.3
895	L	28.7	Very low	29.9	Very low	142 Å²	142	147.8 Å²	147.8	74%	0.743	75%	0.752	S	S	*	*			trans	-123.1	157.5	-165.7	-56.6	172.2	0	0	0	111.3
896	L	28.6	Very low	30.2	Very low	147 Å²	147	147.4 Å²	147.4	77%	0.77	75%	0.754	S	S	*	*			cis	-161.9	-173.2	-18.9	-122.5	177.8	0	0	0	110.1
897	Y	27.5	Very low	31.4	Very low	218 Å²	218	146.7 Å²	146.7	86%	0.855	76%	0.758	S	S	*	*			trans	-66	162.1	177.2	-94.8	-123.8	0	0	0	116.7
898	A	34.5	Very low	31.5	Very low	84 Å²	84	143.2 Å²	143.2	69%	0.694	76%	0.762	S	S	*	*			trans	-32.6	166	157.9	0	0	0	0	0	117.8
899	P	41.9	Very low	31.8	Very low	125 Å²	125	143.7 Å²	143.7	81%	0.812	77%	0.769	S	S	*	*				-151.6	174.2	85.6	41	-22.2	0	0	0	119.1
900	I	28.8	Very low	32.1	Very low	149 Å²	149	137.6 Å²	137.6	76%	0.764	76%	0.763	S	S	*	*			trans	-47.4	136.5	172.9	-34.9	174.2	0	0	0	115.5
901	T	29.3	Very low	32	Very low	129 Å²	129	132.3 Å²	132.3	79%	0.791	76%	0.756	S	S	*	*				167.7	128.6	116.9	36	0	0	0	0	117.7
902	R	30.3	Very low	32.1	Very low	242 Å²	242	132.4 Å²	132.4	91%	0.913	77%	0.766	S	S	*	*			trans	39.8	105	131.7	-148.6	179.5	-158	173	5	119.6
903	A	26.4	Very low	32.1	Very low	101 Å²	101	135 Å²	135	84%	0.835	77%	0.773	S	S	*	*			trans	-120.8	164.6	169.2	0	0	0	0	0	112.6
904	T	28.9	Very low	32	Very low	118 Å²	118	129.7 Å²	129.7	72%	0.724	76%	0.763	S	S	*	*			trans	-149.2	133.3	-160.9	-32.4	0	0	0	0	114.9
905	T	29.7	Very low	32	Very low	117 Å²	117	131.9 Å²	131.9	72%	0.718	77%	0.77	S	S	*	*			trans	42	126	156	53.8	0	0	0	0	124.4
906	V	32.7	Very low	32	Very low	130 Å²	130	131.4 Å²	131.4	79%	0.788	77%	0.765	S	S	*	*				41	134.5	119.6	-156.2	0	0	0	0	117.9
907	P	55.8	Low	32	Very low	123 Å²	123	130.5 Å²	130.5	80%	0.799	76%	0.761	S	S	*	*				-156.6	168.8	53.2	44.3	-23.1	0	0	0	121.9
908	A	29	Very low	32.1	Very low	100 Å²	100	124.7 Å²	124.7	83%	0.826	75%	0.752	S	S	*	*			trans	-156.2	160.5	147	0	0	0	0	0	109.8
909	N	35.7	Very low	31.9	Very low	159 Å²	159	127.5 Å²	127.5	85%	0.85	76%	0.761	S	S	*	*			trans	-151.5	176.1	-172.6	-140	-5.5	0	0	0	109
910	S	34.1	Very low	31.2	Very low	109 Å²	109	125.2 Å²	125.2	76%	0.762	76%	0.76	S	S	*	*			cis	-162.3	168.9	8.1	47.7	0	0	0	0	108.6
911	G	27.1	Very low	31.2	Very low	56 Å²	56	125.1 Å²	125.1	58%	0.577	77%	0.766	S	S	*	*			cis	160.1	-174.1	2.6	0	0	0	0	0	110.7
912	S	34.3	Very low	31.2	Very low	116 Å²	116	130 Å²	130	81%	0.811	77%	0.77	S	S	*	*			trans	61.8	146.1	176.3	62.3	0	0	0	0	117.1
913	N	28.9	Very low	32.3	Very low	147 Å²	147	123 Å²	123	79%	0.786	76%	0.756	S	S	*	*			cis	-161.3	174.2	-3.2	-112.2	13.9	0	0	0	108.7
914	T	30	Very low	32.4	Very low	94 Å²	94	125.4 Å²	125.4	58%	0.577	75%	0.753	S	S	*	*			cis	178.3	145.1	-34.5	-87.3	0	0	0	0	109
915	E	29.8	Very low	32.3	Very low	164 Å²	164	123.5 Å²	123.5	77%	0.766	76%	0.757	S	S	*	*			trans	66.9	153.4	165.2	-80.2	171.8	-145.7	0	0	119.9
916	M	29.5	Very low	32.3	Very low	132 Å²	132	127 Å²	127	65%	0.65	76%	0.762	S	S	*	*			cis	-157	162	-19.3	-139.5	-166.7	-60.6	0	0	112.6
917	N	28.6	Very low	32.2	Very low	128 Å²	128	125.9 Å²	125.9	68%	0.684	76%	0.76	S	S	*	*			trans	59.6	112.2	145.8	-77.5	-3	0	0	0	124.7
918	S	28.4	Very low	31.1	Very low	96 Å²	96	124.8 Å²	124.8	67%	0.671	76%	0.755	S	S	*	*				99.9	137.9	108.8	75.3	0	0	0	0	122.8
919	T	29.7	Very low	31.1	Very low	143 Å²	143	126.6 Å²	126.6	88%	0.877	75%	0.75	S	S	*	*			trans	54.3	130.3	151.4	52.2	0	0	0	0	121.4
920	G	27.6	Very low	30.8	Very low	76 Å²	76	128.6 Å²	128.6	78%	0.784	75%	0.746	S	S	*	*			trans	169.4	71.3	163.5	0	0	0	0	0	119.6
921	V	28.8	Very low	30.7	Very low	147 Å²	147	128.8 Å²	128.8	89%	0.891	74%	0.739	S	S	*	*			trans	26.2	116.2	137.1	178.4	0	0	0	0	120.3
922	R	29.1	Very low	30.8	Very low	231 Å²	231	135 Å²	135	87%	0.872	75%	0.753	S	S	*	*			trans	-56.9	174.1	156.3	-89.8	-167.2	-155.5	-156.7	9.1	113.8
923	P	54.9	Low	30.9	Very low	97 Å²	97	136.1 Å²	136.1	63%	0.63	75%	0.749	S	S	*	*			cis	-147.9	-159.7	-25.9	40.5	-19.3	0	0	0	114.5
924	I	27.6	Very low	31.4	Very low	151 Å²	151	137 Å²	137	77%	0.774	75%	0.748	S	S	*	*			trans	72.6	125.3	153.2	-69.1	166.8	0	0	0	118.2
925	G	26.8	Very low	31.5	Very low	77 Å²	77	139.4 Å²	139.4	79%	0.794	76%	0.757	S	S	*	*			trans	-156.1	108.9	163.5	0	0	0	0	0	110.5
926	K	29.8	Very low	31.6	Very low	190 Å²	190	137.8 Å²	137.8	83%	0.826	75%	0.751	S	S	*	*			trans	-83.7	143.9	-173	-69.6	-179.8	177.5	179.2	0	112.9
927	S	30.8	Very low	31.9	Very low	107 Å²	107	141 Å²	141	75%	0.748	76%	0.756	S	S	*	*			trans	-9.6	138.7	150.1	58.5	0	0	0	0	118.9
928	S	31.8	Very low	32.3	Very low	101 Å²	101	142.3 Å²	142.3	71%	0.706	76%	0.755	S	S	*	*				145.6	139.8	102	-152	0	0	0	0	115.4
929	L	29.3	Very low	32.7	Very low	137 Å²	137	143.9 Å²	143.9	72%	0.717	75%	0.752	S	S	*	*			trans	62.4	116.5	150.9	-71.5	163.4	0	0	0	122.9
930	R	31	Very low	32.8	Very low	201 Å²	201	143.8 Å²	143.8	76%	0.758	75%	0.746	S	S	*	*				90.3	134.9	123.3	-89	-175.2	162.5	150.8	2.9	124
931	D	31.9	Very low	33	Very low	114 Å²	114	144.2 Å²	144.2	61%	0.61	74%	0.737	S	S	*	*			trans	62.5	105.9	137.6	-53.9	-17.8	0	0	0	121.8
932	Q	28.5	Very low	33.2	Very low	186 Å²	186	142.8 Å²	142.8	87%	0.869	73%	0.729	S	S	*	*				171.2	157.3	112.8	-91	157.4	70.6	0	0	109.8
933	L	35.3	Very low	33.2	Very low	139 Å²	139	139 Å²	139	73%	0.728	72%	0.721	S	S	*	*			cis	171.4	142.4	-37	-118	166.7	0	0	0	105.1
934	Q	39.4	Very low	31.9	Very low	166 Å²	166	142 Å²	142	78%	0.776	73%	0.728	S	S	*	*			trans	67	131.3	163.5	-63.5	174.5	-12.1	0	0	120.4
935	L	32.7	Very low	32	Very low	145 Å²	145	144 Å²	144	76%	0.759	73%	0.732	S	S	*	*				-162.5	118.5	101.9	-124	87.6	0	0	0	113.3
936	M	31.5	Very low	33	Very low	130 Å²	130	145.7 Å²	145.7	64%	0.64	73%	0.728	S	S	*	*			trans	64.1	151.9	147.8	-58	-144.7	-61.4	0	0	121
937	R	36.4	Very low	32.8	Very low	200 Å²	200	141.3 Å²	141.3	76%	0.755	72%	0.722	S	S	*	*			cis	-162.5	156	-8.3	-122.5	178.5	-176.4	156.2	6.1	112.1
938	K	37.4	Very low	32.7	Very low	154 Å²	154	142.1 Å²	142.1	67%	0.67	72%	0.723	S	S	*	*			trans	64.4	147.4	153.5	-76.1	-164.4	174.1	-76.9	0	118.7
939	E	37.3	Very low	32.5	Very low	130 Å²	130	142.1 Å²	142.1	61%	0.607	72%	0.723	S	S	*	*			cis	-166.6	158.4	-22.8	-130.3	159.8	-140.5	0	0	110.9
940	N	31.6	Very low	32.5	Very low	140 Å²	140	143.1 Å²	143.1	75%	0.749	73%	0.728	S	S	*	*			trans	66.1	143.9	164.7	-60.5	-6.4	0	0	0	119.5
941	S	31.5	Very low	32.4	Very low	86 Å²	86	141.3 Å²	141.3	60%	0.601	73%	0.733	S	S	*	*			cis	-166.6	144	-14.4	-100.6	0	0	0	0	112.9
942	T	32.8	Very low	32.1	Very low	116 Å²	116	139.3 Å²	139.3	71%	0.712	74%	0.739	S	S	*	*			trans	55.5	142.5	141.9	61.7	0	0	0	0	121.8
943	E	29.7	Very low	32	Very low	153 Å²	153	135.7 Å²	135.7	72%	0.715	74%	0.735	S	S	*	*			cis	-165.4	164.7	-0.7	-120	179.4	158.2	0	0	115.7
944	M	27.6	Very low	31.7	Very low	159 Å²	159	134.8 Å²	134.8	78%	0.783	74%	0.735	S	S	*	*			trans	62.5	136	147.6	-63	-80.6	176.9	0	0	123.9
945	K	28.3	Very low	31.3	Very low	194 Å²	194	136 Å²	136	84%	0.843	74%	0.737	S	S	*	*			trans	-105.7	-168.8	154	-65.2	-177.5	175.8	178.5	0	106.9
946	P	47.7	Very low	31.2	Very low	111 Å²	111	136.9 Å²	136.9	72%	0.721	74%	0.735	S	S	*	*			cis	-149	-170.3	8.3	42.8	-20.1	0	0	0	118.5
947	S	27.1	Very low	31.1	Very low	99 Å²	99	136.3 Å²	136.3	69%	0.692	73%	0.734	S	S	*	*			trans	91	143.6	135.3	67	0	0	0	0	124.1
948	T	29	Very low	30.7	Very low	124 Å²	124	133.8 Å²	133.8	76%	0.761	74%	0.736	S	S	*	*			trans	83.7	125	146	24.4	0	0	0	0	124.3
949	S	26.8	Very low	30.5	Very low	101 Å²	101	131.1 Å²	131.1	71%	0.706	74%	0.736	S	S	*	*			trans	57.2	116.2	139.4	61.3	0	0	0	0	123.1
950	L	29	Very low	30.2	Very low	157 Å²	157	132.7 Å²	132.7	82%	0.822	74%	0.744	S	S	*	*				14.2	116.6	117.8	-71.7	159.6	0	0	0	117.7
951	N	28.4	Very low	30.1	Very low	164 Å²	164	131.3 Å²	131.3	88%	0.877	74%	0.74	S	S	*	*				176.8	161.7	113.4	-97	-29.7	0	0	0	113.8
952	G	26.7	Very low	30.1	Very low	71 Å²	71	133 Å²	133	73%	0.732	75%	0.747	S	S	*	*			trans	89.4	88.2	133.3	0	0	0	0	0	119.6
953	S	26.6	Very low	30	Very low	111 Å²	111	134.3 Å²	134.3	78%	0.776	75%	0.749	S	S	*	*			trans	-9	136.8	138.6	-44.3	0	0	0	0	117.1
954	T	29.4	Very low	30.1	Very low	119 Å²	119	133.9 Å²	133.9	73%	0.73	75%	0.75	S	S	*	*				175.5	162.1	86.7	34.4	0	0	0	0	112.4
955	K	30.6	Very low	30.3	Very low	191 Å²	191	133.4 Å²	133.4	83%	0.83	75%	0.751	S	S	*	*			trans	31.8	162.3	139.8	-60.5	172.8	-176.4	176.8	0	122.1
956	K	29.4	Very low	30.4	Very low	164 Å²	164	128 Å²	128	71%	0.713	74%	0.742	S	S	*	*			cis	167.5	142.4	-25.9	-166.8	-160	167.4	-166.6	0	105.8
957	L	29.3	Very low	29.5	Very low	119 Å²	119	134 Å²	134	62%	0.623	75%	0.75	S	S	*	*			trans	77.4	134.9	170.6	-59.7	136.8	0	0	0	117.9
958	D	29.6	Very low	29.6	Very low	147 Å²	147	133.8 Å²	133.8	79%	0.786	75%	0.749	S	S	*	*				43.4	150.9	121	-40.9	-3.2	0	0	0	120.1
959	S	32.6	Very low	29.6	Very low	98 Å²	98	134.4 Å²	134.4	69%	0.685	75%	0.753	S	S	*	*			cis	-137.4	-165.1	1.2	47.5	0	0	0	0	108.9
960	E	30.4	Very low	29.6	Very low	163 Å²	163	135.4 Å²	135.4	76%	0.762	75%	0.751	S	S	*	*			cis	-172.5	-166.2	28.3	-153.4	159.7	-112.4	0	0	112.7
961	T	30.3	Very low	29.6	Very low	110 Å²	110	135.7 Å²	135.7	68%	0.675	75%	0.745	S	S	*	*			trans	79.8	91.3	150.7	23.7	0	0	0	0	123
962	T	30.5	Very low	29.4	Very low	121 Å²	121	132.4 Å²	132.4	74%	0.742	74%	0.735	S	S	*	*				92.4	137.8	119.6	33.8	0	0	0	0	125.4
963	I	31.6	Very low	29.4	Very low	145 Å²	145	134.3 Å²	134.3	74%	0.744	73%	0.733	S	S	*	*			trans	98.4	95.8	143.7	-73	159	0	0	0	120.8
964	L	32	Very low	29.4	Very low	143 Å²	143	137.3 Å²	137.3	75%	0.749	73%	0.734	S	S	*	*				61.4	104.5	129.7	-57.7	178.6	0	0	0	123.2
965	D	30.2	Very low	29.3	Very low	150 Å²	150	136.3 Å²	136.3	80%	0.802	73%	0.732	S	S	*	*				76.2	126.5	112	-92.4	-32.3	0	0	0	125.9
966	A	31.4	Very low	29.2	Very low	80 Å²	80	131.8 Å²	131.8	66%	0.661	73%	0.725	S	S	*	*				94.2	107.2	125.6	0	0	0	0	0	123.5
967	R	28.8	Very low	29.2	Very low	236 Å²	236	135.2 Å²	135.2	89%	0.891	73%	0.733	S	S	*	*			trans	60.8	101.6	130.5	-73.4	-176.1	169.3	174.6	-2.9	121.9
968	S	28.9	Very low	29.2	Very low	96 Å²	96	139.7 Å²	139.7	67%	0.671	74%	0.742	S	S	*	*				32.2	133.2	117	63.7	0	0	0	0	121.7
969	T	28.2	Very low	29.1	Very low	137 Å²	137	136.7 Å²	136.7	84%	0.84	73%	0.729	S	S	*	*				-168.3	137.6	112	14.2	0	0	0	0	115
970	D	28.3	Very low	28.8	Very low	122 Å²	122	136.6 Å²	136.6	65%	0.652	73%	0.728	S	S	*	*			trans	29.9	146.1	135.6	-115.6	-0.9	0	0	0	125.8
971	K	28.4	Very low	28.8	Very low	163 Å²	163	135.4 Å²	135.4	71%	0.709	73%	0.726	S	S	*	*			trans	69.2	100.7	141.7	-76.7	165.1	-175.9	136.5	0	123.6
972	S	25.2	Very low	28.7	Very low	94 Å²	94	137.8 Å²	137.8	66%	0.657	73%	0.73	S	S	*	*				55.5	155.1	105.9	76.8	0	0	0	0	124.1
973	T	26.5	Very low	28.6	Very low	112 Å²	112	138.2 Å²	138.2	69%	0.687	73%	0.728	S	S	*	*			trans	71.8	100	146.9	40.4	0	0	0	0	121.4
974	E	25.8	Very low	28.5	Very low	174 Å²	174	137.6 Å²	137.6	81%	0.813	73%	0.726	S	S	*	*				96.5	124.4	102.1	-170.9	150.7	-155.2	0	0	122.6
975	S	26.5	Very low	28.3	Very low	98 Å²	98	139 Å²	139	69%	0.685	73%	0.726	S	S	*	*			trans	79.7	127.9	148.6	-130.8	0	0	0	0	123.8
976	S	28.7	Very low	28.3	Very low	96 Å²	96	137.1 Å²	137.1	67%	0.671	72%	0.724	S	S	*	*				117.7	137.9	110.1	-102.6	0	0	0	0	121.2
977	R	29.8	Very low	28.9	Very low	236 Å²	236	139.3 Å²	139.3	89%	0.891	73%	0.732	S	S	*	*			trans	72.2	149.7	162.3	-61.8	169.4	-177.7	-174.9	0.3	115.6
978	R	28.6	Very low	29.1	Very low	213 Å²	213	136.8 Å²	136.8	80%	0.804	73%	0.73	S	S	*	*			cis	-165.3	160.7	-2.1	-125.5	-166	157.7	-112.4	10.9	106.8
979	T	27.7	Very low	30.4	Very low	84 Å²	84	136.7 Å²	136.7	52%	0.515	73%	0.727	S	S	.	*			cis	-164.6	-177.8	-7.7	-9	0	0	0	0	108.7
980	S	27.6	Very low	30.3	Very low	96 Å²	96	140.1 Å²	140.1	67%	0.671	73%	0.731	S	S	*	*			trans	69.1	148	144.2	45.6	0	0	0	0	119.8
981	L	28.7	Very low	30.4	Very low	137 Å²	137	138.3 Å²	138.3	72%	0.717	73%	0.733	S	S	*	*			cis	-160	150.7	-9.7	-104	161.6	0	0	0	110.2
982	E	29.4	Very low	30.5	Very low	161 Å²	161	139.5 Å²	139.5	75%	0.752	74%	0.741	S	S	*	*			trans	70.5	149.9	142.3	-79	160.4	174	0	0	126.6
983	D	28.3	Very low	31.5	Very low	130 Å²	130	139.9 Å²	139.9	70%	0.695	74%	0.741	S	S	*	*			trans	70.1	78.2	147.8	-70.3	19.4	0	0	0	124.4
984	D	28.9	Very low	31.5	Very low	132 Å²	132	141.4 Å²	141.4	71%	0.706	75%	0.745	S	S	*	*				15.3	123.8	111.2	-176.5	37.6	0	0	0	120.5
985	K	28.2	Very low	31.7	Very low	173 Å²	173	141 Å²	141	75%	0.752	75%	0.747	S	S	*	*				-176.3	133	126.4	-100.4	150.9	-165.1	131.8	0	115.1
986	S	30.3	Very low	31.8	Very low	109 Å²	109	143 Å²	143	76%	0.762	75%	0.748	S	S	*	*			trans	-107.7	158.3	151.9	-61.1	0	0	0	0	109.1
987	P	44.1	Very low	31.9	Very low	126 Å²	126	145.9 Å²	145.9	82%	0.818	76%	0.756	S	S	*	*				-152.4	167.1	95.1	40.3	-22.9	0	0	0	116.7
988	E	33.8	Very low	31.8	Very low	183 Å²	183	140.3 Å²	140.3	86%	0.855	75%	0.753	S	S	*	*			trans	-82.4	-171.9	159.6	-62.8	-161.1	151.3	0	0	110.9
989	P	55.8	Low	31.8	Very low	94 Å²	94	135 Å²	135	61%	0.61	76%	0.755	S	S	*	*			cis	-134.3	179.9	-5	42.5	-25.7	0	0	0	115.5
990	F	26.2	Very low	31.8	Very low	209 Å²	209	142.5 Å²	142.5	92%	0.917	77%	0.774	S	S	*	*				173.6	168.4	127.8	-100.5	-72.1	0	0	0	110.7
991	A	30.1	Very low	32.2	Very low	84 Å²	84	143.9 Å²	143.9	69%	0.694	78%	0.781	S	S	*	*			trans	-135.6	149.8	-156.1	0	0	0	0	0	117.7
992	Q	29.3	Very low	32.4	Very low	188 Å²	188	149.1 Å²	149.1	88%	0.879	79%	0.791	S	S	*	*			trans	66	164	156.5	-76.2	-173.7	-7.2	0	0	119.2
993	P	47	Very low	32.5	Very low	102 Å²	102	145.3 Å²	145.3	66%	0.662	80%	0.795	S	S	*	*			cis	-127.2	174.1	-0.3	36.9	-18.8	0	0	0	117.1
994	D	27.5	Very low	32.8	Very low	145 Å²	145	148.9 Å²	148.9	78%	0.775	80%	0.804	S	S	*	*			trans	49.1	125.2	152.2	-57.1	-27.8	0	0	0	124.2
995	I	28.6	Very low	33.3	Very low	166 Å²	166	147.6 Å²	147.6	85%	0.851	81%	0.805	S	S	*	*				-179.2	112.3	106.9	-86.8	159.5	0	0	0	113
996	I	30.1	Very low	34	Very low	140 Å²	140	143.7 Å²	143.7	72%	0.718	80%	0.798	S	S	*	*			trans	4	135	147.5	-63.1	172.5	0	0	0	122.1
997	N	28.9	Very low	35.6	Very low	156 Å²	156	142.1 Å²	142.1	83%	0.834	78%	0.784	S	S	*	*			trans	67.8	144.8	157.1	-70.9	-21.5	0	0	0	119.6
998	S	28.3	Very low	35.4	Very low	119 Å²	119	142.3 Å²	142.3	83%	0.832	78%	0.777	S	S	*	*			cis	-142.8	146.5	31.1	62.2	0	0	0	0	115.9
999	A	28.6	Very low	36.2	Very low	101 Å²	101	138.6 Å²	138.6	84%	0.835	76%	0.763	S	S	*	*			trans	-100.5	155.1	173.6	0	0	0	0	0	113.4
1000	R	28.4	Very low	35.9	Very low	241 Å²	241	138 Å²	138	91%	0.909	76%	0.755	S	S	*	*			trans	-141.7	119.3	170.5	-146.2	-178.9	-149.2	-137.1	6.3	109.9
1001	P	35.6	Very low	36.9	Very low	126 Å²	126	132 Å²	132	82%	0.818	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-76.9	147.9	-173	30.4	-34.9	0	0	0	112.5
1002	R	32.7	Very low	37.6	Very low	246 Å²	246	132 Å²	132	93%	0.928	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-91.2	138.4	161.6	-66.3	-176.2	179.9	-174.8	0.3	108.5
1003	G	31.3	Very low	38.1	Very low	81 Å²	81	127.3 Å²	127.3	84%	0.835	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-65.9	143.7	-177.5	0	0	0	0	0	112.8
1004	K	35.9	Very low	37.7	Very low	206 Å²	206	126.6 Å²	126.6	90%	0.896	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-82.2	150.9	167.9	-64.7	-177.6	178.4	-178	0	109.8
1005	S	39.5	Very low	38.1	Very low	104 Å²	104	125 Å²	125	73%	0.727	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-66	147.8	160	46.6	0	0	0	0	110.2
1006	P	42.5	Very low	38.5	Very low	91 Å²	91	124.2 Å²	124.2	59%	0.591	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-64.5	149.2	178	28.2	-35.1	0	0	0	111.6	D1010	P1006-D1010 HydrophobicContact CB-CB 3.98Å
1007	T	62.9	Low	38.9	Very low	77 Å²	77	123 Å²	123	47%	0.472	68%	0.677	S	S	.	*	P	Polyproline II helix	trans	-85.4	170.3	173.4	66	0	0	0	0	111.2	D1009 D1010 I1011	T1007-D1009 PolarHBondContact O-N 2.98Å; T1007-D1010 WeakPolarHBondContact CB-OD2 3.49Å; T1007-D1010 PolarHBondContact N-OD2 2.88Å; T1007-D1010 PolarHBondContact O-N 3Å; T1007-D1010 VanDerWaalsContact OG1-CG 3.3Å; T1007-D1010 PolarHBondContact OG1-N 3.37Å; T1007-D1010 PolarHBondContact OG1-OD2 3.05Å; T1007-I1011 PolarHBondContact O-N 3.48Å
1008	L	39.8	Very low	39	Very low	130 Å²	130	119.4 Å²	119.4	68%	0.681	67%	0.67	S	S	*	*	H	α-helix	trans	-60.5	-36	176.9	-162.3	72.3	0	0	0	111.5	I1011 L1012	L1008-I1011 PolarHBondContact O-N 3.36Å; L1008-L1012 HydrophobicContact CD2-CD1 4.47Å; L1008-L1012 HydrophobicContact CG-CD1 4.18Å; L1008-L1012 WeakPolarHBondContact O-CG 3.43Å; L1008-L1012 PolarHBondContact O-N 3.15Å
1009	D	50.3	Low	39.1	Very low	104 Å²	104	119.2 Å²	119.2	56%	0.556	66%	0.664	S	S	*	*	H	α-helix	trans	-69.2	-34.1	178.4	-61.1	-54.8	0	0	0	112.9	T1007 I1011 L1012 N1013	T1007-D1009 PolarHBondContact O-N 2.98Å; D1009-I1011 VanDerWaalsContact C-N 3.29Å; D1009-I1011 PolarHBondContact O-N 3.2Å; D1009-L1012 PolarHBondContact O-N 3.21Å; D1009-N1013 VanDerWaalsContact O-CB 3.29Å; D1009-N1013 WeakPolarHBondContact O-CB 3.44Å; D1009-N1013 VanDerWaalsContact O-CG 3.28Å; D1009-N1013 PolarHBondContact O-N 3.16Å; D1009-N1013 PolarHBondContact O-ND2 3.47Å
1010	D	51.2	Low	39.2	Very low	81 Å²	81	119.3 Å²	119.3	43%	0.433	66%	0.658	S	S	.	*	H	α-helix	trans	-63.3	-38	173.2	-61.5	-57.6	0	0	0	111.1	P1006 T1007 S1014	P1006-D1010 HydrophobicContact CB-CB 3.98Å; T1007-D1010 WeakPolarHBondContact CB-OD2 3.49Å; T1007-D1010 PolarHBondContact N-OD2 2.88Å; T1007-D1010 PolarHBondContact O-N 3Å; T1007-D1010 VanDerWaalsContact OG1-CG 3.3Å; T1007-D1010 PolarHBondContact OG1-N 3.37Å; T1007-D1010 PolarHBondContact OG1-OD2 3.05Å; D1010-S1014 WeakPolarHBondContact O-CB 3.28Å; D1010-S1014 PolarHBondContact O-N 2.84Å; D1010-S1014 PolarHBondContact O-OG 3.01Å
1011	I	45.9	Very low	39.4	Very low	85 Å²	85	115.1 Å²	115.1	44%	0.436	65%	0.653	S	S	.	*	H	α-helix	trans	-72.5	-44	177.8	-62	170	0	0	0	110.6	T1007 L1008 D1009 S1014 L1015	T1007-I1011 PolarHBondContact O-N 3.48Å; L1008-I1011 PolarHBondContact O-N 3.36Å; D1009-I1011 VanDerWaalsContact C-N 3.29Å; D1009-I1011 PolarHBondContact O-N 3.2Å; I1011-S1014 WeakPolarHBondContact O-CB 3.43Å; I1011-S1014 PolarHBondContact O-N 3.37Å; I1011-L1015 HydrophobicContact CG2-CD1 4.39Å; I1011-L1015 PolarHBondContact O-N 3.25Å
1012	L	45.7	Very low	39	Very low	82 Å²	82	114.6 Å²	114.6	43%	0.429	65%	0.652	S	S	.	*	H	α-helix	trans	-65.3	-38.5	177.2	-72.4	168	0	0	0	112.4	L1008 D1009 L1015 K1016	L1008-L1012 HydrophobicContact CD2-CD1 4.47Å; L1008-L1012 HydrophobicContact CG-CD1 4.18Å; L1008-L1012 WeakPolarHBondContact O-CG 3.43Å; L1008-L1012 PolarHBondContact O-N 3.15Å; D1009-L1012 PolarHBondContact O-N 3.21Å; L1012-L1015 PolarHBondContact O-N 3.16Å; L1012-K1016 WeakPolarHBondContact O-CG 3.46Å; L1012-K1016 PolarHBondContact O-N 3.47Å; L1012-K1016 VanDerWaalsContact O-N 3.12Å
1013	N	40.1	Very low	39.2	Very low	90 Å²	90	112.5 Å²	112.5	48%	0.481	67%	0.67	S	S	.	*	H	α-helix	trans	-69.6	-35.8	173.9	-73.1	-39.8	0	0	0	112	D1009 L1015 K1016 V1017	D1009-N1013 VanDerWaalsContact O-CB 3.29Å; D1009-N1013 WeakPolarHBondContact O-CB 3.44Å; D1009-N1013 VanDerWaalsContact O-CG 3.28Å; D1009-N1013 PolarHBondContact O-N 3.16Å; D1009-N1013 PolarHBondContact O-ND2 3.47Å; N1013-L1015 VanDerWaalsContact C-N 3.29Å; N1013-L1015 PolarHBondContact O-N 3.42Å; N1013-K1016 PolarHBondContact O-N 3.03Å; N1013-V1017 PolarHBondContact O-N 2.94Å
1014	S	37.5	Very low	39.6	Very low	87 Å²	87	114.1 Å²	114.1	61%	0.608	66%	0.662	S	S	*	*	H	α-helix	trans	-62.3	-35.8	172.7	-60.8	0	0	0	0	112.4	D1010 I1011	D1010-S1014 WeakPolarHBondContact O-CB 3.28Å; D1010-S1014 PolarHBondContact O-N 2.84Å; D1010-S1014 PolarHBondContact O-OG 3.01Å; I1011-S1014 WeakPolarHBondContact O-CB 3.43Å; I1011-S1014 PolarHBondContact O-N 3.37Å
1015	L	35.8	Very low	39.8	Very low	112 Å²	112	109.2 Å²	109.2	59%	0.586	65%	0.649	S	S	*	*	H	α-helix	trans	-71	-35.4	175	-75.9	163.7	0	0	0	113.1	I1011 L1012 N1013 V1017 A1018	I1011-L1015 HydrophobicContact CG2-CD1 4.39Å; I1011-L1015 PolarHBondContact O-N 3.25Å; L1012-L1015 PolarHBondContact O-N 3.16Å; N1013-L1015 VanDerWaalsContact C-N 3.29Å; N1013-L1015 PolarHBondContact O-N 3.42Å; L1015-V1017 VanDerWaalsContact C-N 3.25Å; L1015-V1017 PolarHBondContact O-N 2.71Å; L1015-A1018 PolarHBondContact O-N 3.04Å
1016	K	38.3	Very low	39.8	Very low	150 Å²	150	109.5 Å²	109.5	65%	0.652	65%	0.645	S	S	*	*	H	α-helix	trans	-65.4	-23.1	177.9	-76.1	175	-179.8	174.6	0	114.2	L1012 N1013	L1012-K1016 WeakPolarHBondContact O-CG 3.46Å; L1012-K1016 PolarHBondContact O-N 3.47Å; L1012-K1016 VanDerWaalsContact O-N 3.12Å; N1013-K1016 PolarHBondContact O-N 3.03Å
1017	V	38.1	Very low	39.7	Very low	113 Å²	113	110.6 Å²	110.6	69%	0.685	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-17.5	177.7	177.6	0	0	0	0	112.3	N1013 L1015	N1013-V1017 PolarHBondContact O-N 2.94Å; L1015-V1017 VanDerWaalsContact C-N 3.25Å; L1015-V1017 PolarHBondContact O-N 2.71Å
1018	A	29.9	Very low	38.2	Very low	81 Å²	81	112.7 Å²	112.7	67%	0.669	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-12	-173.3	0	0	0	0	0	115.2	L1015	L1015-A1018 PolarHBondContact O-N 3.04Å
1019	T	30.8	Very low	38.1	Very low	115 Å²	115	111.5 Å²	111.5	71%	0.706	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	0.9	-171.2	43.4	0	0	0	0	115.3	I1021	T1019-I1021 VanDerWaalsContact C-N 3.3Å; T1019-I1021 PolarHBondContact O-N 3.07Å; T1019-I1021 VanDerWaalsContact O-N 3.07Å
1020	S	30.1	Very low	37.2	Very low	104 Å²	104	112.1 Å²	112.1	73%	0.727	67%	0.665	S	S	*	*			trans	-85.9	53.9	-178.3	68.7	0	0	0	0	114.2
1021	I	33.9	Very low	36.1	Very low	153 Å²	153	114.5 Å²	114.5	79%	0.785	68%	0.683	S	S	*	*			trans	-136.6	114.5	167.3	-56.5	-179	0	0	0	108.4	T1019	T1019-I1021 VanDerWaalsContact C-N 3.3Å; T1019-I1021 PolarHBondContact O-N 3.07Å; T1019-I1021 VanDerWaalsContact O-N 3.07Å
1022	S	27	Very low	35.3	Very low	115 Å²	115	116.9 Å²	116.9	80%	0.804	70%	0.703	S	S	*	*			trans	-170.7	152.2	167.9	-75.1	0	0	0	0	110.3
1023	P	36.9	Very low	34.4	Very low	201 Å²	201	120.1 Å²	120.1	100%	1.305	73%	0.728	S	S	*	*			cis	-94.3	0	-20.1	5.1	16.8	0	0	0	112.5

Retrieved 1,023 of 1,023 residues in 551.6 ms (Link to these results)

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