A0A061I8D9_CRIGR Loading...

Carboxylic ester hydrolase

AlphaFold DB , UniProt , Accession A0A061I8D9, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 575 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.8	Very low	44.5	Very low	249 Å²	249	130.7 Å²	130.7	100%	1.227	73%	0.728	S	S	*	*				0	118.7	0	-81.1	170.3	150.8	0	0	107.5
2	S	36.8	Very low	45	Very low	111 Å²	111	129.3 Å²	129.3	78%	0.776	72%	0.717	S	S	*	*			trans	-67.1	119.4	-167.8	44.9	0	0	0	0	112.6	N4	S2-N4 PolarHBondContact O-N 2.94Å
3	G	37.4	Very low	45.7	Very low	65 Å²	65	126.5 Å²	126.5	67%	0.67	70%	0.698	S	S	*	*			trans	-75.9	113.2	165.7	0	0	0	0	0	109.6	W5	G3-W5 PolarHBondContact O-N 3.24Å
4	N	41.8	Very low	46	Very low	149 Å²	149	130.7 Å²	130.7	80%	0.797	70%	0.699	S	S	*	*			trans	-68.7	114.2	173.9	-80.3	-17.9	0	0	0	109.5	S2 V6	S2-N4 PolarHBondContact O-N 2.94Å; N4-V6 PolarHBondContact O-N 3.27Å
5	W	42.9	Very low	46.6	Very low	234 Å²	234	126.9 Å²	126.9	89%	0.886	68%	0.682	S	S	*	*			trans	-69.6	110.4	165.9	-77	69.2	0	0	0	108.4	G3 H7	G3-W5 PolarHBondContact O-N 3.24Å; W5-H7 PolarHBondContact O-N 3.42Å
6	V	47.1	Very low	47.2	Very low	120 Å²	120	125.2 Å²	125.2	73%	0.727	67%	0.671	S	S	*	*			trans	-70.8	113.1	166.6	180	0	0	0	0	106.8	N4	N4-V6 PolarHBondContact O-N 3.27Å
7	H	49	Very low	47.3	Very low	139 Å²	139	128 Å²	128	64%	0.644	67%	0.67	S	S	*	*			trans	-57.9	126	-179.2	-81.7	-76.3	0	0	0	111.1	W5 G9 Q10	W5-H7 PolarHBondContact O-N 3.42Å; H7-G9 PolarHBondContact O-N 3.39Å; H7-Q10 PolarHBondContact O-N 3.31Å
8	P	49	Very low	47.5	Very low	105 Å²	105	126 Å²	126	68%	0.682	66%	0.659	S	S	*	*	H	α-helix	trans	-62.6	-13.9	178	-15.7	26.7	0	0	0	113.7
9	G	47.3	Very low	47.7	Very low	39 Å²	39	126.1 Å²	126.1	40%	0.402	65%	0.654	S	S	.	*	H	α-helix	trans	-73.1	-28.3	-179.6	0	0	0	0	0	114.2	H7 I13	H7-G9 PolarHBondContact O-N 3.39Å; G9-I13 VanDerWaalsContact O-CD1 3.29Å; G9-I13 WeakPolarHBondContact O-CD1 3.27Å; G9-I13 WeakPolarHBondContact O-CG1 3.46Å; G9-I13 PolarHBondContact O-N 3.35Å
10	Q	47.8	Very low	47.6	Very low	134 Å²	134	122.1 Å²	122.1	63%	0.626	64%	0.64	S	S	*	*	H	α-helix	trans	-78.1	-38.8	-177.3	-78.4	-177.1	-24.4	0	0	112.4	H7 L12 I13 W14	H7-Q10 PolarHBondContact O-N 3.31Å; Q10-L12 VanDerWaalsContact C-N 3.33Å; Q10-L12 PolarHBondContact O-N 3.02Å; Q10-I13 PolarHBondContact O-N 2.72Å; Q10-W14 VanDerWaalsContact O-CD1 3.24Å; Q10-W14 PolarHBondContact O-N 3.16Å
11	T	51.8	Low	47.4	Very low	93 Å²	93	119.3 Å²	119.3	57%	0.571	64%	0.635	S	S	*	*	H	α-helix	trans	-66.5	-34.1	175.4	10.4	0	0	0	0	112.4	V15	T11-V15 WeakPolarHBondContact O-CG2 3.49Å; T11-V15 PolarHBondContact O-N 3.46Å; T11-V15 VanDerWaalsContact O-N 3.16Å
12	L	50.2	Low	47.7	Very low	113 Å²	113	113 Å²	113	59%	0.592	61%	0.605	S	S	*	*	H	α-helix	trans	-69.6	-36.2	176.2	-155.9	76.4	0	0	0	112	Q10 V15 I16	Q10-L12 VanDerWaalsContact C-N 3.33Å; Q10-L12 PolarHBondContact O-N 3.02Å; L12-V15 PolarHBondContact O-N 3Å; L12-I16 HydrophobicContact CD2-CD1 4.39Å; L12-I16 HydrophobicContact CG-CD1 4.1Å; L12-I16 WeakPolarHBondContact O-CB 3.43Å; L12-I16 WeakPolarHBondContact O-CD1 3.33Å; L12-I16 WeakPolarHBondContact O-CG1 3.35Å; L12-I16 PolarHBondContact O-N 3.21Å
13	I	54.8	Low	47.8	Very low	93 Å²	93	115.3 Å²	115.3	48%	0.477	61%	0.605	S	S	.	*	H	α-helix	trans	-67.2	-42.1	176.4	-67.3	164.8	0	0	0	110.6	G9 Q10 V15 I16 W17	G9-I13 VanDerWaalsContact O-CD1 3.29Å; G9-I13 WeakPolarHBondContact O-CD1 3.27Å; G9-I13 WeakPolarHBondContact O-CG1 3.46Å; G9-I13 PolarHBondContact O-N 3.35Å; Q10-I13 PolarHBondContact O-N 2.72Å; I13-V15 PolarHBondContact O-N 3.03Å; I13-I16 PolarHBondContact O-N 3.3Å; I13-W17 WeakPolarHBondContact O-CB 3.1Å; I13-W17 PolarHBondContact O-N 3.27Å
14	W	48.7	Very low	47.9	Very low	186 Å²	186	121.6 Å²	121.6	71%	0.705	61%	0.609	S	S	*	*	H	α-helix	trans	-64.8	-38.4	176.3	-81.1	98.6	0	0	0	113.2	Q10 W17 I18	Q10-W14 VanDerWaalsContact O-CD1 3.24Å; Q10-W14 PolarHBondContact O-N 3.16Å; W14-W17 PolarHBondContact O-N 3.04Å; W14-I18 WeakPolarHBondContact O-CB 3.27Å; W14-I18 VanDerWaalsContact O-CG1 3.25Å; W14-I18 WeakPolarHBondContact O-CG1 3.32Å; W14-I18 PolarHBondContact O-N 3.17Å
15	V	55.4	Low	47.7	Very low	73 Å²	73	117 Å²	117	44%	0.442	60%	0.597	S	S	.	*	H	α-helix	trans	-68.9	-38.7	175	173.9	0	0	0	0	111.1	T11 L12 I13 W17 I18 F19	T11-V15 WeakPolarHBondContact O-CG2 3.49Å; T11-V15 PolarHBondContact O-N 3.46Å; T11-V15 VanDerWaalsContact O-N 3.16Å; L12-V15 PolarHBondContact O-N 3Å; I13-V15 PolarHBondContact O-N 3.03Å; V15-W17 VanDerWaalsContact C-N 3.34Å; V15-I18 PolarHBondContact O-N 3.14Å; V15-F19 HydrophobicContact CG1-CD2 3.84Å; V15-F19 HydrophobicContact CG1-CE2 4.16Å; V15-F19 WeakPolarHBondContact O-CB 3.41Å; V15-F19 WeakPolarHBondContact O-CD2 3.31Å; V15-F19 PolarHBondContact O-N 3.12Å
16	I	55.7	Low	47.6	Very low	100 Å²	100	110.7 Å²	110.7	51%	0.513	59%	0.588	S	S	.	*	H	α-helix	trans	-67	-35.2	174.3	-69	164.7	0	0	0	111.2	L12 I13 A20	L12-I16 HydrophobicContact CD2-CD1 4.39Å; L12-I16 HydrophobicContact CG-CD1 4.1Å; L12-I16 WeakPolarHBondContact O-CB 3.43Å; L12-I16 WeakPolarHBondContact O-CD1 3.33Å; L12-I16 WeakPolarHBondContact O-CG1 3.35Å; L12-I16 PolarHBondContact O-N 3.21Å; I13-I16 PolarHBondContact O-N 3.3Å; I16-A20 WeakPolarHBondContact O-CA 3.47Å; I16-A20 WeakPolarHBondContact O-CB 3.16Å; I16-A20 PolarHBondContact O-N 2.9Å
17	W	49.2	Very low	47.3	Very low	173 Å²	173	111.6 Å²	111.6	66%	0.655	59%	0.594	S	S	*	*	H	α-helix	trans	-73.4	-34.8	174.8	-86.8	77	0	0	0	112.8	I13 W14 V15 A20 A21	I13-W17 WeakPolarHBondContact O-CB 3.1Å; I13-W17 PolarHBondContact O-N 3.27Å; W14-W17 PolarHBondContact O-N 3.04Å; V15-W17 VanDerWaalsContact C-N 3.34Å; W17-A20 PolarHBondContact O-N 3.36Å; W17-A21 WeakPolarHBondContact O-CB 3.26Å; W17-A21 PolarHBondContact O-N 2.95Å
18	I	52	Low	47.7	Very low	92 Å²	92	108.8 Å²	108.8	47%	0.472	59%	0.587	S	S	.	*	H	α-helix	trans	-68.7	-43.2	171.8	-70.1	167.1	0	0	0	110	W14 V15 A21 I22	W14-I18 WeakPolarHBondContact O-CB 3.27Å; W14-I18 VanDerWaalsContact O-CG1 3.25Å; W14-I18 WeakPolarHBondContact O-CG1 3.32Å; W14-I18 PolarHBondContact O-N 3.17Å; V15-I18 PolarHBondContact O-N 3.14Å; I18-A21 PolarHBondContact O-N 3.45Å; I18-I22 HydrophobicContact CG2-CD1 3.66Å; I18-I22 HydrophobicContact CG2-CG1 4.48Å; I18-I22 WeakPolarHBondContact O-CB 3.5Å; I18-I22 WeakPolarHBondContact O-CD1 3.39Å; I18-I22 WeakPolarHBondContact O-CG1 3.47Å; I18-I22 PolarHBondContact O-N 3.01Å
19	F	50	Low	48.5	Very low	127 Å²	127	112 Å²	112	56%	0.557	59%	0.593	S	S	*	*	H	α-helix	trans	-67	-34.3	172.5	-94.6	-86.4	0	0	0	112.7	V15 I22 M23	V15-F19 HydrophobicContact CG1-CD2 3.84Å; V15-F19 HydrophobicContact CG1-CE2 4.16Å; V15-F19 WeakPolarHBondContact O-CB 3.41Å; V15-F19 WeakPolarHBondContact O-CD2 3.31Å; V15-F19 PolarHBondContact O-N 3.12Å; F19-I22 PolarHBondContact O-N 3.21Å; F19-M23 WeakPolarHBondContact O-CB 3.33Å; F19-M23 WeakPolarHBondContact O-CG 3.39Å; F19-M23 PolarHBondContact O-N 3.43Å
20	A	46	Very low	50.4	Low	46 Å²	46	115 Å²	115	38%	0.38	60%	0.596	S	S	.	*	H	α-helix	trans	-75	-25.1	174	0	0	0	0	0	112.6	I16 W17 R24	I16-A20 WeakPolarHBondContact O-CA 3.47Å; I16-A20 WeakPolarHBondContact O-CB 3.16Å; I16-A20 PolarHBondContact O-N 2.9Å; W17-A20 PolarHBondContact O-N 3.36Å; A20-R24 WeakPolarHBondContact O-CB 3.13Å; A20-R24 VanDerWaalsContact O-CG 3.29Å; A20-R24 WeakPolarHBondContact O-CG 3.22Å; A20-R24 PolarHBondContact O-N 3.42Å
21	A	44.4	Very low	52.6	Low	65 Å²	65	108.9 Å²	108.9	54%	0.537	57%	0.568	S	S	.	*	H	α-helix	trans	-79.5	-28.2	170.4	0	0	0	0	0	112.2	W17 I18	W17-A21 WeakPolarHBondContact O-CB 3.26Å; W17-A21 PolarHBondContact O-N 2.95Å; I18-A21 PolarHBondContact O-N 3.45Å
22	I	45.3	Very low	54.6	Low	117 Å²	117	108.1 Å²	108.1	60%	0.6	56%	0.558	S	S	*	*	H	α-helix	trans	-80.7	-28.9	171.6	-65.4	164.4	0	0	0	111.1	I18 F19	I18-I22 HydrophobicContact CG2-CD1 3.66Å; I18-I22 HydrophobicContact CG2-CG1 4.48Å; I18-I22 WeakPolarHBondContact O-CB 3.5Å; I18-I22 WeakPolarHBondContact O-CD1 3.39Å; I18-I22 WeakPolarHBondContact O-CG1 3.47Å; I18-I22 PolarHBondContact O-N 3.01Å; F19-I22 PolarHBondContact O-N 3.21Å
23	M	38.5	Very low	56.8	Low	158 Å²	158	104.9 Å²	104.9	78%	0.778	54%	0.538	S	S	*	.	H	α-helix	trans	-92.7	-11.2	176	-68.2	-74.6	-106.7	0	0	113.7	F19 G25	F19-M23 WeakPolarHBondContact O-CB 3.33Å; F19-M23 WeakPolarHBondContact O-CG 3.39Å; F19-M23 PolarHBondContact O-N 3.43Å; M23-G25 PolarHBondContact O-N 3.28Å
24	R	39.4	Very low	58.7	Low	198 Å²	198	105 Å²	105	75%	0.747	53%	0.533	S	S	*	.	S	Bend	trans	-71.8	78.5	150.1	-80.3	179.6	-171.5	-165.8	3	105.6	A20 S26	A20-R24 WeakPolarHBondContact O-CB 3.13Å; A20-R24 VanDerWaalsContact O-CG 3.29Å; A20-R24 WeakPolarHBondContact O-CG 3.22Å; A20-R24 PolarHBondContact O-N 3.42Å; R24-S26 PolarHBondContact O-N 3.07Å
25	G	38.2	Very low	61	Low	53 Å²	53	96.2 Å²	96.2	55%	0.546	50%	0.5	S	S	.	.			trans	-42.9	136.1	164.1	0	0	0	0	0	107.5	M23 V27	M23-G25 PolarHBondContact O-N 3.28Å; G25-V27 PolarHBondContact O-N 2.97Å
26	S	39.6	Very low	62.8	Low	100 Å²	100	97.7 Å²	97.7	70%	0.699	50%	0.5	S	S	*	.			trans	-40.4	119	173	57.5	0	0	0	0	106.8	R24 T28	R24-S26 PolarHBondContact O-N 3.07Å; S26-T28 PolarHBondContact O-N 3.49Å
27	V	41.8	Very low	64.7	Low	140 Å²	140	94.2 Å²	94.2	85%	0.848	48%	0.483	S	S	*	.			trans	-54.7	102.5	167.4	175.4	0	0	0	0	103.3	G25 E29	G25-V27 PolarHBondContact O-N 2.97Å; V27-E29 VanDerWaalsContact C-N 3.32Å; V27-E29 PolarHBondContact O-N 3.07Å
28	T	56	Low	66.9	Low	80 Å²	80	86.3 Å²	86.3	49%	0.491	45%	0.454	S	S	.	.			trans	-63.9	104.5	-179.8	15.9	0	0	0	0	104.1	S26 E30	S26-T28 PolarHBondContact O-N 3.49Å; T28-E30 PolarHBondContact O-N 2.55Å
29	E	66.3	Low	69.1	Low	173 Å²	173	88.1 Å²	88.1	81%	0.808	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-56.3	116.9	-176.7	-143.6	176.6	-171.1	0	0	107.3	V27 P31	V27-E29 VanDerWaalsContact C-N 3.32Å; V27-E29 PolarHBondContact O-N 3.07Å; E29-P31 WeakPolarHBondContact O-CD 3.49Å
30	E	86.5	Confident	71.4	Confident	100 Å²	100	82 Å²	82	47%	0.467	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-61	122.9	-177.4	-65.4	175.7	131.7	0	0	108.1	T28 H32 K41	T28-E30 PolarHBondContact O-N 2.55Å; E30-H32 PolarHBondContact O-CE1 3.07Å; E30-H32 PolarHBondContact O-N 3.19Å; E30-H32 VanDerWaalsContact O-N 3.12Å; E30-H32 PolarHBondContact O-ND1 3.37Å; E30-K41 HydrophobicContact CB-CD 4.22Å; E30-K41 HydrophobicContact CB-CG 4.2Å; E30-K41 VanDerWaalsContact OE1-CE 3.22Å; E30-K41 WeakPolarHBondContact OE1-CE 3.47Å; E30-K41 IonicContact OE1-NZ 3.4Å; E30-K41 PolarHBondContact OE1-NZ 3.2Å; E30-K41 WeakPolarHBondContact OE2-CE 3.43Å; E30-K41 IonicContact OE2-NZ 2.78Å; E30-K41 PolarHBondContact OE2-NZ 2.93Å
31	P	94.3	Very high	73.8	Confident	7 Å²	7	81.1 Å²	81.1	5%	0.045	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-70.4	117.2	-169.9	26.8	-34.5	0	0	0	110.2	E29 G42 N55 F57	E29-P31 WeakPolarHBondContact O-CD 3.49Å; P31-G42 WeakPolarHBondContact CD-O 3.31Å; P31-G42 PolarHBondContact O-N 3.5Å; P31-N55 HydrophobicContact CB-CB 3.91Å; P31-N55 HydrophobicContact CG-CB 3.95Å; P31-F57 HydrophobicContact CB-CE1 4.47Å; P31-F57 HydrophobicContact CB-CZ 3.95Å; P31-F57 HydrophobicContact CG-CZ 4.27Å; P31-F57 VanDerWaalsContact O-CE1 3.3Å; P31-F57 WeakPolarHBondContact O-CE1 3.24Å
32	H	95.4	Very high	76.4	Confident	77 Å²	77	78 Å²	78	36%	0.356	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	136.9	172.8	-61.4	114.9	0	0	0	110.7	E30 W39 V40 K41	E30-H32 PolarHBondContact O-CE1 3.07Å; E30-H32 PolarHBondContact O-N 3.19Å; E30-H32 VanDerWaalsContact O-N 3.12Å; E30-H32 PolarHBondContact O-ND1 3.37Å; H32-W39 HydrophobicContact CB-CE3 4.45Å; H32-V40 WeakPolarHBondContact CA-O 3.48Å; H32-K41 WeakPolarHBondContact NE2-CD 3.42Å; H32-K41 WeakPolarHBondContact NE2-CG 3.48Å
33	R	95.5	Very high	78.8	Confident	45 Å²	45	75.6 Å²	75.6	17%	0.17	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	142	174	-66	-62	-173.4	-90.5	3.2	111	V40 F57 A132 F212 F213	R33-V40 HydrophobicContact CB-CG2 4.06Å; R33-V40 PolarHBondContact N-O 3.38Å; R33-V40 WeakPolarHBondContact O-CG2 3.34Å; R33-V40 PolarHBondContact O-N 3.49Å; R33-F57 HydrophobicContact CB-CE1 4.05Å; R33-F57 HydrophobicContact CB-CZ 4.14Å; R33-F57 HydrophobicContact CG-CE1 3.75Å; R33-F57 HydrophobicContact CG-CE2 4.13Å; R33-F57 HydrophobicContact CG-CZ 3.34Å; R33-A132 PolarHBondContact NH2-O 2.74Å; R33-F212 VanDerWaalsContact CD-O 3.22Å; R33-F212 WeakPolarHBondContact CD-O 3.35Å; R33-F213 HydrophobicContact CB-CD1 4.02Å; R33-F213 HydrophobicContact CB-CE1 3.67Å; R33-F213 HydrophobicContact CB-CZ 4.02Å; R33-F213 HydrophobicContact CG-CD1 3.84Å; R33-F213 HydrophobicContact CG-CE1 3.95Å
34	Y	94.8	Very high	81.5	Confident	96 Å²	96	71.5 Å²	71.5	38%	0.376	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	144.3	173.1	179.8	-105.6	0	0	0	109.7	W39 F212	Y34-W39 HydrophobicContact CD2-CD2 4.08Å; Y34-W39 AromaticContact CD2-CE2 3.76Å; Y34-W39 HydrophobicContact CD2-CG 4.25Å; Y34-W39 HydrophobicContact CD2-CZ2 4.22Å; Y34-W39 AromaticContact CD2-NE1 3.74Å; Y34-W39 HydrophobicContact CG-CZ2 4.47Å; Y34-F212 HydrophobicContact CD1-CD1 4.33Å; Y34-F212 HydrophobicContact CD1-CE1 4.1Å; Y34-F212 HydrophobicContact CD1-CE2 4.34Å; Y34-F212 HydrophobicContact CD1-CZ 4.1Å; Y34-F212 HydrophobicContact CE1-CZ 4.27Å; Y34-F212 WeakPolarHBondContact O-CB 3.21Å; Y34-F212 WeakPolarHBondContact O-CD2 3.32Å; Y34-F212 VanDerWaalsContact O-CG 3.31Å; Y34-F212 WeakPolarHBondContact O-CG 3.5Å
35	T	96.1	Very high	84.2	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	164	166.1	75.1	0	0	0	0	107.5	L37 G38 V40 W205 F213	T35-L37 PolarHBondContact O-N 3.08Å; T35-L37 PolarHBondContact OG1-N 2.98Å; T35-G38 PolarHBondContact N-O 3.32Å; T35-G38 PolarHBondContact O-N 3.14Å; T35-G38 PolarHBondContact OG1-N 2.96Å; T35-G38 VanDerWaalsContact OG1-N 3.17Å; T35-G38 PolarHBondContact OG1-O 2.97Å; T35-V40 HydrophobicContact CG2-CG1 4.35Å; T35-V40 HydrophobicContact CG2-CG2 4.35Å; T35-W205 HydrophobicContact CG2-CZ2 4.04Å; T35-F213 HydrophobicContact CG2-CE2 3.87Å; T35-F213 HydrophobicContact CG2-CZ 3.83Å
36	K	95.1	Very high	86.9	Confident	105 Å²	105	65.7 Å²	65.7	46%	0.457	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.6	172.8	-67.6	-170.4	-175.5	174.9	0	113.3	E208 N209 F212	K36-E208 HydrophobicContact CD-CB 4.27Å; K36-E208 WeakPolarHBondContact CE-O 3.19Å; K36-E208 IonicContact NZ-OE2 3.33Å; K36-E208 PolarHBondContact NZ-OE2 2.94Å; K36-N209 PolarHBondContact N-OD1 2.85Å; K36-F212 HydrophobicContact CG-CE2 4.21Å
37	L	94.6	Very high	89.5	Confident	27 Å²	27	61.2 Å²	61.2	14%	0.141	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-16.2	178.7	-59.1	-179.9	0	0	0	113.1	T35 A78 P80 W81	T35-L37 PolarHBondContact O-N 3.08Å; T35-L37 PolarHBondContact OG1-N 2.98Å; L37-A78 HydrophobicContact CD1-CB 3.71Å; L37-A78 VanDerWaalsContact CD2-O 3.24Å; L37-A78 WeakPolarHBondContact CD2-O 3.49Å; L37-P80 CarbonylContact O-C 3.47Å; L37-P80 WeakPolarHBondContact O-CA 3.26Å; L37-P80 WeakPolarHBondContact O-CB 3.14Å; L37-W81 HydrophobicContact CB-CD2 4.49Å; L37-W81 HydrophobicContact CB-CE3 3.95Å; L37-W81 HydrophobicContact CB-CH2 3.63Å; L37-W81 HydrophobicContact CB-CZ2 4.19Å; L37-W81 HydrophobicContact CB-CZ3 3.49Å; L37-W81 VanDerWaalsContact CB-CZ3 3.49Å; L37-W81 HydrophobicContact CD1-CH2 4.11Å; L37-W81 HydrophobicContact CD1-CZ3 3.81Å; L37-W81 HydrophobicContact CG-CZ3 4.3Å; L37-W81 PolarHBondContact O-N 2.98Å
38	G	96.3	Very high	92	Very high	6 Å²	6	59.5 Å²	59.5	6%	0.062	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	141.5	179.5	-176.5	0	0	0	0	0	112.9	T35	T35-G38 PolarHBondContact N-O 3.32Å; T35-G38 PolarHBondContact O-N 3.14Å; T35-G38 PolarHBondContact OG1-N 2.96Å; T35-G38 VanDerWaalsContact OG1-N 3.17Å; T35-G38 PolarHBondContact OG1-O 2.97Å
39	W	97.5	Very high	93.7	Very high	130 Å²	130	59.1 Å²	59.1	49%	0.492	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	141.7	-179.3	-72.1	93.8	0	0	0	111.9	H32 Y34 W81 L84 R85	H32-W39 HydrophobicContact CB-CE3 4.45Å; Y34-W39 HydrophobicContact CD2-CD2 4.08Å; Y34-W39 AromaticContact CD2-CE2 3.76Å; Y34-W39 HydrophobicContact CD2-CG 4.25Å; Y34-W39 HydrophobicContact CD2-CZ2 4.22Å; Y34-W39 AromaticContact CD2-NE1 3.74Å; Y34-W39 HydrophobicContact CG-CZ2 4.47Å; W39-W81 PolarHBondContact O-NE1 3.08Å; W39-L84 HydrophobicContact CB-CD1 3.66Å; W39-R85 PolarHBondContact O-N 3.01Å
40	V	97.8	Very high	95	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	142.7	172.3	-61	0	0	0	0	110.9	H32 R33 T35 F57 I60 W81 R85 A87 F213	H32-V40 WeakPolarHBondContact CA-O 3.48Å; R33-V40 HydrophobicContact CB-CG2 4.06Å; R33-V40 PolarHBondContact N-O 3.38Å; R33-V40 WeakPolarHBondContact O-CG2 3.34Å; R33-V40 PolarHBondContact O-N 3.49Å; T35-V40 HydrophobicContact CG2-CG1 4.35Å; T35-V40 HydrophobicContact CG2-CG2 4.35Å; V40-F57 HydrophobicContact CG2-CD1 3.78Å; V40-F57 HydrophobicContact CG2-CE1 4.11Å; V40-I60 HydrophobicContact CG2-CD1 4.39Å; V40-W81 HydrophobicContact CG1-CZ2 3.69Å; V40-R85 CarbonylContact C-O 3.42Å; V40-R85 VanDerWaalsContact CA-O 3.32Å; V40-R85 WeakPolarHBondContact CA-O 3.4Å; V40-R85 HydrophobicContact CG1-CB 4.49Å; V40-A87 HydrophobicContact CB-CB 4.23Å; V40-F213 HydrophobicContact CG2-CE1 4.06Å; V40-F213 HydrophobicContact CG2-CZ 3.9Å
41	K	97.7	Very high	95.2	Very high	26 Å²	26	55.5 Å²	55.5	11%	0.113	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121	172.7	-177	175.7	130.4	179.7	0	109.8	E30 H32 L84 R85 E86 A87	E30-K41 HydrophobicContact CB-CD 4.22Å; E30-K41 HydrophobicContact CB-CG 4.2Å; E30-K41 VanDerWaalsContact OE1-CE 3.22Å; E30-K41 WeakPolarHBondContact OE1-CE 3.47Å; E30-K41 IonicContact OE1-NZ 3.4Å; E30-K41 PolarHBondContact OE1-NZ 3.2Å; E30-K41 WeakPolarHBondContact OE2-CE 3.43Å; E30-K41 IonicContact OE2-NZ 2.78Å; E30-K41 PolarHBondContact OE2-NZ 2.93Å; H32-K41 WeakPolarHBondContact NE2-CD 3.42Å; H32-K41 WeakPolarHBondContact NE2-CG 3.48Å; K41-L84 HydrophobicContact CB-CD1 4.02Å; K41-L84 HydrophobicContact CB-CD2 4.07Å; K41-L84 HydrophobicContact CB-CG 4.04Å; K41-L84 HydrophobicContact CD-CD2 4.14Å; K41-R85 PolarHBondContact N-O 2.87Å; K41-E86 VanDerWaalsContact CD-OE1 3.3Å; K41-E86 WeakPolarHBondContact CD-OE1 3.37Å; K41-E86 WeakPolarHBondContact CE-OE1 3.49Å; K41-E86 VanDerWaalsContact CE-OE2 3.31Å; K41-E86 WeakPolarHBondContact CE-OE2 3.43Å; K41-E86 IonicContact NZ-OE1 3.2Å; K41-E86 PolarHBondContact NZ-OE1 3.5Å; K41-E86 IonicContact NZ-OE2 3.74Å; K41-A87 CarbonylContact O-C 3.53Å; K41-A87 WeakPolarHBondContact O-CA 3.17Å; K41-A87 WeakPolarHBondContact O-CB 3.49Å; K41-A87 PolarHBondContact O-N 3.39Å
42	G	97.4	Very high	95.1	Very high	1 Å²	1	59 Å²	59	1%	0.01	30%	0.298	C	S	.	.			trans	-100.2	-166.5	175	0	0	0	0	0	112.4	P31 V56	P31-G42 WeakPolarHBondContact CD-O 3.31Å; P31-G42 PolarHBondContact O-N 3.5Å; G42-V56 CarbonylContact C-O 3.59Å; G42-V56 WeakPolarHBondContact CA-O 3.18Å
43	K	96.1	Very high	95.1	Very high	65 Å²	65	57.1 Å²	57.1	28%	0.283	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	160.4	171.8	63.9	-174.2	-179.5	-169.1	0	110.2	V45 V56 T88	K43-V45 HydrophobicContact CG-CG1 4.45Å; K43-V56 HydrophobicContact CG-CB 4.25Å; K43-V56 PolarHBondContact N-O 3.03Å; K43-V56 PolarHBondContact O-N 3.35Å; K43-T88 HydrophobicContact CB-CG2 4.13Å; K43-T88 PolarHBondContact NZ-O 3.13Å; K43-T88 VanDerWaalsContact NZ-O 3.08Å
44	Q	95.8	Very high	95.2	Very high	73 Å²	73	55 Å²	55	34%	0.341	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	138.1	173.4	-169.8	170.4	92.8	0	0	110.2	P53 V54 N55	Q44-P53 HydrophobicContact CG-CB 3.76Å; Q44-V54 CarbonylContact C-O 3.41Å; Q44-V54 VanDerWaalsContact CA-O 3.32Å; Q44-V54 WeakPolarHBondContact CA-O 3.3Å; Q44-N55 PolarHBondContact NE2-OD1 3Å; Q44-N55 VanDerWaalsContact NE2-OD1 3.1Å
45	V	95.3	Very high	95.3	Very high	35 Å²	35	50.7 Å²	50.7	21%	0.212	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	162.5	176.7	-53.1	0	0	0	0	110.7	K43 P53 V54 V56	K43-V45 HydrophobicContact CG-CG1 4.45Å; V45-P53 WeakPolarHBondContact O-CA 3.38Å; V45-V54 HydrophobicContact CG2-CB 3.97Å; V45-V54 PolarHBondContact N-O 3.49Å; V45-V54 PolarHBondContact O-N 3.11Å; V45-V56 HydrophobicContact CB-CG2 4.47Å; V45-V56 HydrophobicContact CG1-CG2 4.12Å; V45-V56 HydrophobicContact CG2-CG2 3.56Å
46	T	95.3	Very high	95.4	Very high	94 Å²	94	50.8 Å²	50.8	58%	0.577	27%	0.269	S	S	*	.			trans	-118.6	159.2	172.7	56	0	0	0	0	110.1	P53	T46-P53 HydrophobicContact CG2-CB 4.44Å
47	V	94.6	Very high	95.6	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.03	25%	0.247	C	C	.	.			trans	-128.6	150	177.9	-57.3	0	0	0	0	109.9	G49 S50 A164 Y165 F466	V47-G49 PolarHBondContact O-N 3.34Å; V47-S50 PolarHBondContact O-N 3.36Å; V47-A164 HydrophobicContact CG2-CB 3.52Å; V47-Y165 HydrophobicContact CG2-CD2 4.36Å; V47-Y165 HydrophobicContact CG2-CE2 4.08Å; V47-F466 WeakPolarHBondContact CB-O 3.38Å
48	Q	94	Very high	95.7	Very high	105 Å²	105	44.7 Å²	44.7	49%	0.491	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	135.8	-176	178.7	168.7	-32.3	0	0	110.1	S50 Y165 F466 N468	Q48-S50 PolarHBondContact O-N 3.13Å; Q48-Y165 PolarHBondContact O-OH 2.94Å; Q48-F466 PolarHBondContact N-O 2.99Å; Q48-N468 VanDerWaalsContact CB-OD1 3.27Å; Q48-N468 WeakPolarHBondContact CB-OD1 3.3Å; Q48-N468 PolarHBondContact N-ND2 3.36Å; Q48-N468 PolarHBondContact N-OD1 2.94Å
49	G	92.4	Very high	95.8	Very high	71 Å²	71	44.8 Å²	44.8	73%	0.732	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.2	-1.3	178.8	0	0	0	0	0	115.7	V47 Y165	V47-G49 PolarHBondContact O-N 3.34Å; G49-Y165 WeakPolarHBondContact CA-OH 3.31Å
50	S	92.3	Very high	95.9	Very high	26 Å²	26	38.6 Å²	38.6	18%	0.182	22%	0.219	C	C	.	.			trans	-114.4	135.8	172.2	-172.1	0	0	0	0	111.9	V47 Q48 K52	V47-S50 PolarHBondContact O-N 3.36Å; Q48-S50 PolarHBondContact O-N 3.13Å; S50-K52 VanDerWaalsContact C-N 3.32Å; S50-K52 PolarHBondContact OG-N 3.34Å
51	I	91.1	Very high	95.9	Very high	172 Å²	172	39 Å²	39	88%	0.882	22%	0.222	S	C	*	.	S	Bend	trans	-85	-7.9	171	63.3	168.1	0	0	0	112.7	P53	I51-P53 VanDerWaalsContact O-CD 3.32Å; I51-P53 WeakPolarHBondContact O-CD 3.47Å
52	K	92.3	Very high	95.9	Very high	79 Å²	79	38.1 Å²	38.1	34%	0.343	22%	0.218	S	C	.	.			trans	-88.4	112.8	-178.8	-64.7	-176.5	179.8	-177.9	0	109	S50 D167	S50-K52 VanDerWaalsContact C-N 3.32Å; S50-K52 PolarHBondContact OG-N 3.34Å; K52-D167 IonicContact NZ-OD2 3.48Å; K52-D167 PolarHBondContact NZ-OD2 3.47Å
53	P	95.3	Very high	96	Very high	38 Å²	38	38.2 Å²	38.2	25%	0.247	22%	0.219	C	C	.	.			trans	-69.6	165.7	172.5	21.6	-21.1	0	0	0	111.3	Q44 V45 T46 I51 A130	Q44-P53 HydrophobicContact CG-CB 3.76Å; V45-P53 WeakPolarHBondContact O-CA 3.38Å; T46-P53 HydrophobicContact CG2-CB 4.44Å; I51-P53 VanDerWaalsContact O-CD 3.32Å; I51-P53 WeakPolarHBondContact O-CD 3.47Å; P53-A130 HydrophobicContact CB-CB 3.96Å; P53-A130 HydrophobicContact CG-CB 3.62Å; P53-A130 WeakPolarHBondContact O-CB 3.49Å; P53-A130 PolarHBondContact O-N 2.89Å
54	V	97.4	Very high	96.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	130.3	-179.2	-178	0	0	0	0	109.4	Q44 V45 V56 H127 A128 A163 A164	Q44-V54 CarbonylContact C-O 3.41Å; Q44-V54 VanDerWaalsContact CA-O 3.32Å; Q44-V54 WeakPolarHBondContact CA-O 3.3Å; V45-V54 HydrophobicContact CG2-CB 3.97Å; V45-V54 PolarHBondContact N-O 3.49Å; V45-V54 PolarHBondContact O-N 3.11Å; V54-V56 HydrophobicContact CB-CG2 4.47Å; V54-V56 HydrophobicContact CG1-CG2 3.92Å; V54-H127 HydrophobicContact CG1-CB 4.01Å; V54-A128 CarbonylContact C-O 3.55Å; V54-A128 WeakPolarHBondContact CA-O 3.25Å; V54-A128 WeakPolarHBondContact CG1-O 3.31Å; V54-A163 HydrophobicContact CG1-CB 4.39Å; V54-A164 HydrophobicContact CG2-CB 3.7Å
55	N	97.9	Very high	96.2	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.032	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	121.7	168.6	-64.3	-23.4	0	0	0	108.6	P31 Q44 F57 A128 A130	P31-N55 HydrophobicContact CB-CB 3.91Å; P31-N55 HydrophobicContact CG-CB 3.95Å; Q44-N55 PolarHBondContact NE2-OD1 3Å; Q44-N55 VanDerWaalsContact NE2-OD1 3.1Å; N55-F57 HydrophobicContact CB-CE2 3.9Å; N55-F57 HydrophobicContact CB-CZ 4.32Å; N55-A128 PolarHBondContact N-O 3.12Å; N55-A128 PolarHBondContact O-N 2.94Å; N55-A130 PolarHBondContact ND2-O 2.85Å
56	V	97.8	Very high	96.3	Very high	3 Å²	3	35 Å²	35	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	128.9	-173.9	-177.2	0	0	0	0	109.7	G42 K43 V45 V54 L58 I126	G42-V56 CarbonylContact C-O 3.59Å; G42-V56 WeakPolarHBondContact CA-O 3.18Å; K43-V56 HydrophobicContact CG-CB 4.25Å; K43-V56 PolarHBondContact N-O 3.03Å; K43-V56 PolarHBondContact O-N 3.35Å; V45-V56 HydrophobicContact CB-CG2 4.47Å; V45-V56 HydrophobicContact CG1-CG2 4.12Å; V45-V56 HydrophobicContact CG2-CG2 3.56Å; V54-V56 HydrophobicContact CB-CG2 4.47Å; V54-V56 HydrophobicContact CG1-CG2 3.92Å; V56-L58 HydrophobicContact CG1-CD1 4.36Å; V56-L58 HydrophobicContact CG1-CD2 3.49Å; V56-L58 VanDerWaalsContact CG1-CD2 3.49Å; V56-L58 HydrophobicContact CG1-CG 3.79Å; V56-I126 WeakPolarHBondContact CA-O 3.34Å
57	F	98.4	Very high	96.4	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	117.5	176.5	-52.5	-98.2	0	0	0	108.7	P31 R33 V40 N55 I60 A87 N125 I126 F213	P31-F57 HydrophobicContact CB-CE1 4.47Å; P31-F57 HydrophobicContact CB-CZ 3.95Å; P31-F57 HydrophobicContact CG-CZ 4.27Å; P31-F57 VanDerWaalsContact O-CE1 3.3Å; P31-F57 WeakPolarHBondContact O-CE1 3.24Å; R33-F57 HydrophobicContact CB-CE1 4.05Å; R33-F57 HydrophobicContact CB-CZ 4.14Å; R33-F57 HydrophobicContact CG-CE1 3.75Å; R33-F57 HydrophobicContact CG-CE2 4.13Å; R33-F57 HydrophobicContact CG-CZ 3.34Å; V40-F57 HydrophobicContact CG2-CD1 3.78Å; V40-F57 HydrophobicContact CG2-CE1 4.11Å; N55-F57 HydrophobicContact CB-CE2 3.9Å; N55-F57 HydrophobicContact CB-CZ 4.32Å; F57-I60 HydrophobicContact CB-CD1 3.77Å; F57-I60 HydrophobicContact CB-CG1 4.3Å; F57-A87 CarbonylContact C-O 3.53Å; F57-A87 WeakPolarHBondContact CA-O 3.13Å; F57-A87 HydrophobicContact CB-CB 4.32Å; F57-N125 CarbonylContact O-C 3.52Å; F57-N125 VanDerWaalsContact O-CA 3.28Å; F57-N125 WeakPolarHBondContact O-CA 3.43Å; F57-I126 HydrophobicContact CB-CB 4.36Å; F57-I126 HydrophobicContact CD2-CB 4.36Å; F57-I126 PolarHBondContact N-O 3Å; F57-I126 PolarHBondContact O-N 3.41Å; F57-F213 HydrophobicContact CB-CE1 4.42Å; F57-F213 AromaticContact CD1-CE1 3.98Å; F57-F213 HydrophobicContact CD1-CE1 3.98Å; F57-F213 AromaticContact CD2-CD1 3.81Å; F57-F213 HydrophobicContact CD2-CD1 3.81Å; F57-F213 AromaticContact CD2-CE1 3.76Å; F57-F213 HydrophobicContact CD2-CE1 3.76Å; F57-F213 HydrophobicContact CE1-CE1 4.15Å; F57-F213 AromaticContact CE2-CD1 3.76Å; F57-F213 HydrophobicContact CE2-CD1 3.76Å; F57-F213 AromaticContact CE2-CE1 3.96Å; F57-F213 HydrophobicContact CE2-CE1 3.96Å; F57-F213 HydrophobicContact CG-CD1 4.32Å; F57-F213 AromaticContact CG-CE1 3.79Å; F57-F213 HydrophobicContact CG-CE1 3.79Å; F57-F213 HydrophobicContact CZ-CD1 4.21Å; F57-F213 HydrophobicContact CZ-CE1 4.16Å
58	L	98.1	Very high	96.5	Very high	2 Å²	2	36 Å²	36	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	138.1	-173.4	-56	-179.6	0	0	0	110.1	V56 A87 T89 Y90 N125	V56-L58 HydrophobicContact CG1-CD1 4.36Å; V56-L58 HydrophobicContact CG1-CD2 3.49Å; V56-L58 VanDerWaalsContact CG1-CD2 3.49Å; V56-L58 HydrophobicContact CG1-CG 3.79Å; L58-A87 PolarHBondContact N-O 2.85Å; L58-A87 CarbonylContact O-C 3.49Å; L58-A87 WeakPolarHBondContact O-CA 3.44Å; L58-A87 WeakPolarHBondContact O-CB 3.34Å; L58-T89 CarbonylContact C-O 3.54Å; L58-T89 WeakPolarHBondContact CB-O 3.35Å; L58-Y90 HydrophobicContact CB-CD1 4.46Å; L58-Y90 HydrophobicContact CD1-CD1 3.86Å; L58-Y90 HydrophobicContact CD1-CD2 4.15Å; L58-Y90 HydrophobicContact CD1-CE1 3.72Å; L58-Y90 HydrophobicContact CD1-CE2 4.02Å; L58-Y90 HydrophobicContact CD1-CG 4.07Å; L58-Y90 HydrophobicContact CD2-CD1 3.96Å; L58-Y90 HydrophobicContact CD2-CE1 3.53Å; L58-Y90 HydrophobicContact CG-CD1 4.31Å; L58-Y90 HydrophobicContact CG-CE1 4.19Å; L58-N125 WeakPolarHBondContact CA-OD1 3.28Å; L58-N125 HydrophobicContact CD2-CB 3.86Å
59	G	97.9	Very high	96.6	Very high	9 Å²	9	37.5 Å²	37.5	9%	0.093	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.7	39.3	172.4	0	0	0	0	0	114.7	Y123 L124 N125	G59-Y123 WeakPolarHBondContact O-CD1 3.47Å; G59-L124 PolarHBondContact N-O 3.45Å; G59-N125 PolarHBondContact N-OD1 3.24Å
60	I	98.5	Very high	96.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	122.2	172.8	-52.4	179.3	0	0	0	109	V40 F57 W81 A87 Y123 L124 I126 W205 F213	V40-I60 HydrophobicContact CG2-CD1 4.39Å; F57-I60 HydrophobicContact CB-CD1 3.77Å; F57-I60 HydrophobicContact CB-CG1 4.3Å; I60-W81 HydrophobicContact CG2-CH2 4.46Å; I60-A87 HydrophobicContact CG1-CB 4.26Å; I60-Y123 CarbonylContact O-C 3.33Å; I60-Y123 VanDerWaalsContact O-CA 3.3Å; I60-Y123 WeakPolarHBondContact O-CA 3.39Å; I60-L124 HydrophobicContact CB-CD1 3.94Å; I60-L124 HydrophobicContact CB-CG 4.49Å; I60-L124 HydrophobicContact CD1-CD1 4.3Å; I60-L124 PolarHBondContact N-O 2.97Å; I60-L124 PolarHBondContact O-N 2.85Å; I60-I126 HydrophobicContact CD1-CD1 3.82Å; I60-I126 HydrophobicContact CD1-CG1 4.28Å; I60-W205 HydrophobicContact CD1-CH2 4.35Å; I60-W205 HydrophobicContact CG2-CH2 4.28Å; I60-W205 HydrophobicContact CG2-CZ2 3.66Å; I60-F213 HydrophobicContact CD1-CE1 4.14Å; I60-F213 HydrophobicContact CD1-CZ 3.85Å
61	P	98.1	Very high	97.1	Very high	8 Å²	8	35 Å²	35	5%	0.052	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	133.1	178.4	29.8	-35.4	0	0	0	110.5	A78 W81 Y123	P61-A78 HydrophobicContact CB-CB 4.38Å; P61-W81 HydrophobicContact CG-CH2 3.93Å; P61-W81 HydrophobicContact CG-CZ3 3.59Å; P61-Y123 HydrophobicContact CB-CD1 3.94Å; P61-Y123 HydrophobicContact CB-CE1 3.71Å; P61-Y123 HydrophobicContact CG-CE1 4.32Å
62	F	98.3	Very high	97.4	Very high	7 Å²	7	26.9 Å²	26.9	3%	0.031	15%	0.153	C	C	.	.			trans	-106.9	-15.7	173.2	65.8	-101.9	0	0	0	113	L122 Y123 L124 Q174 D198 A201 A202 W205	F62-L122 WeakPolarHBondContact CD1-O 3.41Å; F62-L122 HydrophobicContact CE1-CB 4.17Å; F62-L122 HydrophobicContact CE2-CB 3.98Å; F62-L122 HydrophobicContact CE2-CD2 4.47Å; F62-L122 HydrophobicContact CZ-CB 3.75Å; F62-L122 HydrophobicContact CZ-CD2 4.01Å; F62-L122 HydrophobicContact CZ-CG 4.4Å; F62-L122 PolarHBondContact N-O 3.37Å; F62-L122 VanDerWaalsContact N-O 3.12Å; F62-Y123 WeakPolarHBondContact CE1-O 3.39Å; F62-L124 HydrophobicContact CB-CD2 3.88Å; F62-L124 HydrophobicContact CD1-CB 4.21Å; F62-L124 HydrophobicContact CD1-CD2 4.01Å; F62-L124 HydrophobicContact CD1-CG 4.21Å; F62-L124 HydrophobicContact CG-CD2 4.3Å; F62-Q174 WeakPolarHBondContact CE1-O 3.39Å; F62-Q174 VanDerWaalsContact CZ-O 3.25Å; F62-Q174 WeakPolarHBondContact CZ-O 3.48Å; F62-D198 WeakPolarHBondContact CE2-O 3.36Å; F62-A201 HydrophobicContact CD2-CB 4.17Å; F62-A201 HydrophobicContact CE2-CB 4.25Å; F62-A202 HydrophobicContact CD1-CB 4.07Å; F62-A202 HydrophobicContact CD2-CB 3.89Å; F62-A202 HydrophobicContact CE1-CB 4.07Å; F62-A202 HydrophobicContact CE2-CB 3.92Å; F62-A202 HydrophobicContact CG-CB 3.98Å; F62-A202 HydrophobicContact CZ-CB 4Å; F62-W205 HydrophobicContact CB-CB 3.81Å; F62-W205 HydrophobicContact CB-CD2 4.47Å; F62-W205 HydrophobicContact CB-CG 3.76Å
63	A	98.5	Very high	97.7	Very high	4 Å²	4	24.3 Å²	24.3	3%	0.033	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-142.3	163.6	177.9	0	0	0	0	0	111.5	P75 R76 L122	A63-P75 HydrophobicContact CB-CB 3.87Å; A63-R76 CarbonylContact C-O 3.4Å; A63-R76 WeakPolarHBondContact CA-O 3.47Å; A63-R76 VanDerWaalsContact CB-O 3.27Å; A63-R76 WeakPolarHBondContact CB-O 3.45Å; A63-L122 HydrophobicContact CB-CB 3.97Å; A63-L122 HydrophobicContact CB-CD1 3.65Å; A63-L122 HydrophobicContact CB-CG 4.47Å
64	E	98.1	Very high	97.8	Very high	52 Å²	52	26 Å²	26	24%	0.243	15%	0.152	C	C	.	.			trans	-63	146.6	169.7	-63.4	-168.7	151.9	0	0	110.8	L70 R76 S77	E64-L70 HydrophobicContact CB-CD1 4.27Å; E64-R76 HydrophobicContact CB-CB 4.27Å; E64-R76 HydrophobicContact CG-CB 4.05Å; E64-R76 PolarHBondContact N-O 3.27Å; E64-S77 VanDerWaalsContact CG-O 3.27Å; E64-S77 WeakPolarHBondContact CG-O 3.38Å
65	P	98.3	Very high	97.8	Very high	46 Å²	46	27.4 Å²	27.4	30%	0.299	16%	0.161	S	C	.	.			trans	-54.8	125.7	173.6	-26	35.1	0	0	0	111.1	L67 L70 D120	P65-L67 HydrophobicContact CB-CD1 3.83Å; P65-L67 HydrophobicContact CB-CG 3.81Å; P65-L67 PolarHBondContact O-N 3.29Å; P65-L70 WeakPolarHBondContact O-CD1 3.49Å; P65-D120 HydrophobicContact CB-CB 3.89Å; P65-D120 HydrophobicContact CG-CB 4.35Å; P65-D120 WeakPolarHBondContact CG-OD1 3.49Å
66	P	98.1	Very high	97.8	Very high	6 Å²	6	34.6 Å²	34.6	4%	0.039	19%	0.187	C	C	.	.			trans	-78.7	50.9	-175.9	33.3	-37.3	0	0	0	112.4	R71 E119 L122 R176	P66-R71 PolarHBondContact O-N 3.22Å; P66-E119 VanDerWaalsContact CD-O 3.31Å; P66-E119 WeakPolarHBondContact CD-O 3.49Å; P66-E119 VanDerWaalsContact CG-O 3.32Å; P66-E119 WeakPolarHBondContact CG-O 3.46Å; P66-L122 HydrophobicContact CB-CD1 4.41Å; P66-L122 HydrophobicContact CG-CD1 4.04Å; P66-L122 HydrophobicContact CG-CG 4.17Å; P66-R176 HydrophobicContact CG-CG 4.21Å
67	L	97.8	Very high	97.6	Very high	84 Å²	84	39.5 Å²	39.5	44%	0.44	22%	0.222	S	C	.	.			trans	-93.4	153	-173.9	-57.5	176.9	0	0	0	112.3	P65 N69 L70 E119	P65-L67 HydrophobicContact CB-CD1 3.83Å; P65-L67 HydrophobicContact CB-CG 3.81Å; P65-L67 PolarHBondContact O-N 3.29Å; L67-N69 PolarHBondContact O-N 3.23Å; L67-N69 VanDerWaalsContact O-N 3.16Å; L67-L70 WeakPolarHBondContact O-CB 3.49Å; L67-L70 PolarHBondContact O-N 3.44Å; L67-E119 HydrophobicContact CD2-CB 3.48Å; L67-E119 VanDerWaalsContact CD2-CB 3.48Å
68	G	95.8	Very high	97.4	Very high	36 Å²	36	40 Å²	40	37%	0.371	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	54.4	-118.7	175	0	0	0	0	0	112.1	L70 R71	G68-L70 PolarHBondContact O-N 2.96Å; G68-L70 VanDerWaalsContact O-N 3.17Å; G68-R71 VanDerWaalsContact O-CB 3.24Å; G68-R71 WeakPolarHBondContact O-CB 3.41Å; G68-R71 PolarHBondContact O-N 2.88Å
69	N	96	Very high	97.1	Very high	137 Å²	137	43.5 Å²	43.5	73%	0.733	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-64.9	-17.2	179.8	-70.4	-21.7	0	0	0	114.3	L67 R71 R293	L67-N69 PolarHBondContact O-N 3.23Å; L67-N69 VanDerWaalsContact O-N 3.16Å; N69-R71 VanDerWaalsContact C-N 3.31Å; N69-R293 PolarHBondContact O-NE 3.3Å
70	L	98	Very high	97	Very high	30 Å²	30	47.6 Å²	47.6	16%	0.157	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-82.7	-9.5	175.1	-61.4	179.2	0	0	0	112.9	E64 P65 L67 G68 S73 R76	E64-L70 HydrophobicContact CB-CD1 4.27Å; P65-L70 WeakPolarHBondContact O-CD1 3.49Å; L67-L70 WeakPolarHBondContact O-CB 3.49Å; L67-L70 PolarHBondContact O-N 3.44Å; G68-L70 PolarHBondContact O-N 2.96Å; G68-L70 VanDerWaalsContact O-N 3.17Å; L70-S73 VanDerWaalsContact C-OG 3.28Å; L70-S73 WeakPolarHBondContact CA-OG 3.43Å; L70-S73 PolarHBondContact O-N 3.36Å; L70-S73 PolarHBondContact O-OG 3.08Å; L70-R76 HydrophobicContact CD2-CG 4.36Å
71	R	98	Very high	96.8	Very high	15 Å²	15	49.6 Å²	49.6	6%	0.057	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	138.7	170.7	-161.9	-173.4	-71.6	154.3	-3	109.6	P66 G68 N69 S73 E119 L292 R293 K295 L300	P66-R71 PolarHBondContact O-N 3.22Å; G68-R71 VanDerWaalsContact O-CB 3.24Å; G68-R71 WeakPolarHBondContact O-CB 3.41Å; G68-R71 PolarHBondContact O-N 2.88Å; N69-R71 VanDerWaalsContact C-N 3.31Å; R71-S73 VanDerWaalsContact C-N 3.32Å; R71-S73 PolarHBondContact O-N 2.78Å; R71-E119 IonicContact CZ-OE1 3.19Å; R71-E119 IonicContact CZ-OE2 3.54Å; R71-E119 IonicContact NE-OE1 3.67Å; R71-E119 IonicContact NE-OE2 2.85Å; R71-E119 PolarHBondContact NE-OE2 3.18Å; R71-E119 IonicContact NH2-OE1 2.98Å; R71-E119 PolarHBondContact NH2-OE1 2.75Å; R71-E119 IonicContact NH2-OE2 4Å; R71-E119 PolarHBondContact NH2-OE2 3.18Å; R71-L292 PolarHBondContact NH1-O 2.72Å; R71-R293 HydrophobicContact CB-CG 4.28Å; R71-R293 PolarHBondContact NH1-O 3.17Å; R71-R293 VanDerWaalsContact NH1-O 3.09Å; R71-R293 PolarHBondContact O-NE 3.22Å; R71-R293 PolarHBondContact O-NH2 2.9Å; R71-K295 PolarHBondContact NH1-O 3.28Å; R71-K295 PolarHBondContact NH2-O 2.99Å; R71-L300 VanDerWaalsContact CD-CD1 3.44Å; R71-L300 VanDerWaalsContact CZ-CD1 3.44Å; R71-L300 VanDerWaalsContact NH1-CD1 3.3Å
72	F	97.8	Very high	96.3	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.009	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	54	48	-176.2	-37.9	-61.7	0	0	0	112.4	I179 F183 W194 L289 L292 R293 L300	F72-I179 WeakPolarHBondContact CE1-O 3.38Å; F72-F183 HydrophobicContact CB-CD1 4.34Å; F72-F183 HydrophobicContact CD1-CB 3.72Å; F72-F183 AromaticContact CD1-CD1 3.88Å; F72-F183 HydrophobicContact CD1-CD1 3.88Å; F72-F183 HydrophobicContact CD1-CG 4.18Å; F72-F183 HydrophobicContact CD2-CD1 4.24Å; F72-F183 HydrophobicContact CE1-CB 3.71Å; F72-F183 HydrophobicContact CE1-CD1 4.2Å; F72-F183 HydrophobicContact CE1-CG 4.18Å; F72-F183 AromaticContact CG-CD1 3.88Å; F72-F183 HydrophobicContact CG-CD1 3.88Å; F72-F183 HydrophobicContact CZ-CD1 4.5Å; F72-W194 HydrophobicContact CB-CZ2 4.1Å; F72-W194 WeakPolarHBondContact O-CH2 3.38Å; F72-W194 WeakPolarHBondContact O-CZ2 3.49Å; F72-L289 HydrophobicContact CB-CD1 3.83Å; F72-L289 HydrophobicContact CD2-CD1 3.65Å; F72-L289 HydrophobicContact CG-CD1 4.14Å; F72-L292 HydrophobicContact CE2-CB 3.59Å; F72-L292 HydrophobicContact CE2-CD1 4.48Å; F72-L292 HydrophobicContact CZ-CB 4.12Å; F72-R293 HydrophobicContact CD2-CG 4.19Å; F72-R293 PolarHBondContact O-NH2 3.01Å; F72-L300 HydrophobicContact CZ-CD1 4.01Å; F72-L300 HydrophobicContact CZ-CD2 4.32Å
73	S	97.2	Very high	96	Very high	24 Å²	24	62.9 Å²	62.9	17%	0.168	35%	0.354	C	S	.	.	S	Bend	trans	-145.9	162.4	174.8	76.8	0	0	0	0	110.5	L70 R71 R176	L70-S73 VanDerWaalsContact C-OG 3.28Å; L70-S73 WeakPolarHBondContact CA-OG 3.43Å; L70-S73 PolarHBondContact O-N 3.36Å; L70-S73 PolarHBondContact O-OG 3.08Å; R71-S73 VanDerWaalsContact C-N 3.32Å; R71-S73 PolarHBondContact O-N 2.78Å; S73-R176 VanDerWaalsContact O-CZ 3.31Å; S73-R176 PolarHBondContact O-NH1 3.23Å; S73-R176 PolarHBondContact O-NH2 3.37Å
74	N	97.8	Very high	95.8	Very high	75 Å²	75	66.7 Å²	66.7	40%	0.401	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-61.3	143.1	176.4	-69.8	-2.6	0	0	0	110.8	W194 Y197	N74-W194 WeakPolarHBondContact OD1-CZ3 3.3Å; N74-Y197 WeakPolarHBondContact OD1-CD2 3.45Å
75	P	98.3	Very high	95.7	Very high	29 Å²	29	68.3 Å²	68.3	19%	0.188	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-60.5	144.2	176.9	29.8	-36.7	0	0	0	110.6	A63 L122 Y197 A201	A63-P75 HydrophobicContact CB-CB 3.87Å; P75-L122 HydrophobicContact CB-CD1 4.18Å; P75-Y197 WeakPolarHBondContact CG-O 3.15Å; P75-A201 HydrophobicContact CB-CB 4.1Å; P75-A201 HydrophobicContact CG-CB 3.61Å
76	R	97.6	Very high	95.7	Very high	156 Å²	156	70.6 Å²	70.6	59%	0.589	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-102.4	151	172.3	-66.7	-175.6	178	-177	-0.2	109.8	A63 E64 L70 A78	A63-R76 CarbonylContact C-O 3.4Å; A63-R76 WeakPolarHBondContact CA-O 3.47Å; A63-R76 VanDerWaalsContact CB-O 3.27Å; A63-R76 WeakPolarHBondContact CB-O 3.45Å; E64-R76 HydrophobicContact CB-CB 4.27Å; E64-R76 HydrophobicContact CG-CB 4.05Å; E64-R76 PolarHBondContact N-O 3.27Å; L70-R76 HydrophobicContact CD2-CG 4.36Å; R76-A78 PolarHBondContact O-N 3.33Å
77	S	93.8	Very high	95.6	Very high	107 Å²	107	70.4 Å²	70.4	75%	0.748	38%	0.383	S	S	*	.	B	Isolated β-bridge	trans	-57.3	131.8	175.7	-57.5	0	0	0	0	110.8	E64	E64-S77 VanDerWaalsContact CG-O 3.27Å; E64-S77 WeakPolarHBondContact CG-O 3.38Å
78	A	93.6	Very high	95.6	Very high	10 Å²	10	68 Å²	68	8%	0.083	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-57.5	144.1	176.7	0	0	0	0	0	111.6	L37 P61 R76	L37-A78 HydrophobicContact CD1-CB 3.71Å; L37-A78 VanDerWaalsContact CD2-O 3.24Å; L37-A78 WeakPolarHBondContact CD2-O 3.49Å; P61-A78 HydrophobicContact CB-CB 4.38Å; R76-A78 PolarHBondContact O-N 3.33Å
79	S	92.1	Very high	95.5	Very high	76 Å²	76	71 Å²	71	53%	0.531	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-69.5	143.5	175.4	-75.7	0	0	0	0	111.4
80	P	94.8	Very high	95.6	Very high	96 Å²	96	66.5 Å²	66.5	62%	0.623	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-68	155.5	173.6	30.1	-35	0	0	0	111.5	L37	L37-P80 CarbonylContact O-C 3.47Å; L37-P80 WeakPolarHBondContact O-CA 3.26Å; L37-P80 WeakPolarHBondContact O-CB 3.14Å
81	W	94.7	Very high	95.5	Very high	41 Å²	41	65.8 Å²	65.8	16%	0.155	35%	0.353	C	S	.	.			trans	-126.2	144.4	175.7	57.5	81.3	0	0	0	110.7	L37 W39 V40 I60 P61 R85	L37-W81 HydrophobicContact CB-CD2 4.49Å; L37-W81 HydrophobicContact CB-CE3 3.95Å; L37-W81 HydrophobicContact CB-CH2 3.63Å; L37-W81 HydrophobicContact CB-CZ2 4.19Å; L37-W81 HydrophobicContact CB-CZ3 3.49Å; L37-W81 VanDerWaalsContact CB-CZ3 3.49Å; L37-W81 HydrophobicContact CD1-CH2 4.11Å; L37-W81 HydrophobicContact CD1-CZ3 3.81Å; L37-W81 HydrophobicContact CG-CZ3 4.3Å; L37-W81 PolarHBondContact O-N 2.98Å; W39-W81 PolarHBondContact O-NE1 3.08Å; V40-W81 HydrophobicContact CG1-CZ2 3.69Å; I60-W81 HydrophobicContact CG2-CH2 4.46Å; P61-W81 HydrophobicContact CG-CH2 3.93Å; P61-W81 HydrophobicContact CG-CZ3 3.59Å; W81-R85 HydrophobicContact CZ2-CB 4.45Å
82	N	88.8	Confident	95.5	Very high	161 Å²	161	68.6 Å²	68.6	86%	0.861	37%	0.369	S	S	*	.	S	Bend	trans	-88.2	-35.4	-175.9	-67.2	-33.5	0	0	0	112.9
83	D	90.8	Very high	95.6	Very high	133 Å²	133	68.5 Å²	68.5	71%	0.711	37%	0.369	S	S	*	.	S	Bend	trans	-86.4	164.9	-174.8	-60.4	-45.4	0	0	0	112.2	R85	D83-R85 PolarHBondContact O-N 3.04Å
84	L	94.6	Very high	95.6	Very high	85 Å²	85	67.5 Å²	67.5	45%	0.445	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-66.3	117.5	172.8	-178.6	63.2	0	0	0	110.2	W39 K41	W39-L84 HydrophobicContact CB-CD1 3.66Å; K41-L84 HydrophobicContact CB-CD1 4.02Å; K41-L84 HydrophobicContact CB-CD2 4.07Å; K41-L84 HydrophobicContact CB-CG 4.04Å; K41-L84 HydrophobicContact CD-CD2 4.14Å
85	R	96.4	Very high	95.7	Very high	85 Å²	85	64.9 Å²	64.9	32%	0.321	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	124.5	177.6	-174.6	174.7	-175.4	129.3	1.7	110.9	W39 V40 K41 W81 D83 A87	W39-R85 PolarHBondContact O-N 3.01Å; V40-R85 CarbonylContact C-O 3.42Å; V40-R85 VanDerWaalsContact CA-O 3.32Å; V40-R85 WeakPolarHBondContact CA-O 3.4Å; V40-R85 HydrophobicContact CG1-CB 4.49Å; K41-R85 PolarHBondContact N-O 2.87Å; W81-R85 HydrophobicContact CZ2-CB 4.45Å; D83-R85 PolarHBondContact O-N 3.04Å; R85-A87 PolarHBondContact O-N 2.6Å
86	E	97.3	Very high	95.6	Very high	95 Å²	95	63.5 Å²	63.5	44%	0.444	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	123.2	170.7	-72.2	-69.7	165	0	0	110.2	K41	K41-E86 VanDerWaalsContact CD-OE1 3.3Å; K41-E86 WeakPolarHBondContact CD-OE1 3.37Å; K41-E86 WeakPolarHBondContact CE-OE1 3.49Å; K41-E86 VanDerWaalsContact CE-OE2 3.31Å; K41-E86 WeakPolarHBondContact CE-OE2 3.43Å; K41-E86 IonicContact NZ-OE1 3.2Å; K41-E86 PolarHBondContact NZ-OE1 3.5Å; K41-E86 IonicContact NZ-OE2 3.74Å
87	A	97.6	Very high	95.4	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.008	33%	0.325	C	S	.	.			trans	-126.4	50.3	179.3	0	0	0	0	0	109.6	V40 K41 F57 L58 I60 R85	V40-A87 HydrophobicContact CB-CB 4.23Å; K41-A87 CarbonylContact O-C 3.53Å; K41-A87 WeakPolarHBondContact O-CA 3.17Å; K41-A87 WeakPolarHBondContact O-CB 3.49Å; K41-A87 PolarHBondContact O-N 3.39Å; F57-A87 CarbonylContact C-O 3.53Å; F57-A87 WeakPolarHBondContact CA-O 3.13Å; F57-A87 HydrophobicContact CB-CB 4.32Å; L58-A87 PolarHBondContact N-O 2.85Å; L58-A87 CarbonylContact O-C 3.49Å; L58-A87 WeakPolarHBondContact O-CA 3.44Å; L58-A87 WeakPolarHBondContact O-CB 3.34Å; I60-A87 HydrophobicContact CG1-CB 4.26Å; R85-A87 PolarHBondContact O-N 2.6Å
88	T	96.3	Very high	95.5	Very high	34 Å²	34	56.1 Å²	56.1	21%	0.209	30%	0.302	C	S	.	.			trans	-113	-7.3	-173.4	51.4	0	0	0	0	113.5	K43	K43-T88 HydrophobicContact CB-CG2 4.13Å; K43-T88 PolarHBondContact NZ-O 3.13Å; K43-T88 VanDerWaalsContact NZ-O 3.08Å
89	T	95.3	Very high	95.5	Very high	99 Å²	99	61.3 Å²	61.3	61%	0.607	32%	0.324	S	S	*	.	S	Bend	trans	-123.2	146.1	-176.8	55.3	0	0	0	0	111.3	L58	L58-T89 CarbonylContact C-O 3.54Å; L58-T89 WeakPolarHBondContact CB-O 3.35Å
90	Y	96.8	Very high	95.5	Very high	43 Å²	43	58.8 Å²	58.8	17%	0.169	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-64.3	140	177.3	-70.9	-67.6	0	0	0	111.3	L58 P113 F115 S155 I471	L58-Y90 HydrophobicContact CB-CD1 4.46Å; L58-Y90 HydrophobicContact CD1-CD1 3.86Å; L58-Y90 HydrophobicContact CD1-CD2 4.15Å; L58-Y90 HydrophobicContact CD1-CE1 3.72Å; L58-Y90 HydrophobicContact CD1-CE2 4.02Å; L58-Y90 HydrophobicContact CD1-CG 4.07Å; L58-Y90 HydrophobicContact CD2-CD1 3.96Å; L58-Y90 HydrophobicContact CD2-CE1 3.53Å; L58-Y90 HydrophobicContact CG-CD1 4.31Å; L58-Y90 HydrophobicContact CG-CE1 4.19Å; Y90-P113 HydrophobicContact CD2-CG 4.13Å; Y90-P113 HydrophobicContact CE2-CG 4.25Å; Y90-F115 HydrophobicContact CD2-CE1 4.17Å; Y90-F115 HydrophobicContact CG-CE1 4.06Å; Y90-S155 VanDerWaalsContact CD1-CB 3.5Å; Y90-I471 HydrophobicContact CE1-CD1 4.28Å; Y90-I471 HydrophobicContact CE2-CD1 4.07Å; Y90-I471 VanDerWaalsContact OH-CD1 3.22Å; Y90-I471 WeakPolarHBondContact OH-CD1 3.45Å
91	P	96.8	Very high	95.5	Very high	14 Å²	14	55.1 Å²	55.1	9%	0.091	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-69.4	165.2	175	31.8	-36.1	0	0	0	110.8	Y123	P91-Y123 HydrophobicContact CB-CD1 4.32Å; P91-Y123 HydrophobicContact CB-CD2 3.67Å; P91-Y123 HydrophobicContact CB-CE2 4.45Å; P91-Y123 HydrophobicContact CB-CG 3.63Å; P91-Y123 HydrophobicContact CG-CG 4.25Å
92	N	98.2	Very high	95.4	Very high	74 Å²	74	56.3 Å²	56.3	40%	0.396	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-59.4	143.1	165.5	-72.5	-47.7	0	0	0	110.3	G116 Q174	N92-G116 VanDerWaalsContact OD1-CA 3.29Å; N92-G116 WeakPolarHBondContact OD1-CA 3.36Å; N92-Q174 PolarHBondContact O-NE2 3.43Å
93	L	98.4	Very high	95.5	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	151.1	171	-84.7	51.7	0	0	0	109.6	L98 W100 L101 F115 G116 M117 S118 S153	L93-L98 HydrophobicContact CD2-CD2 3.97Å; L93-W100 HydrophobicContact CD2-CZ2 4.18Å; L93-L101 HydrophobicContact CD2-CD1 4.24Å; L93-F115 HydrophobicContact CD1-CB 3.63Å; L93-F115 HydrophobicContact CD1-CD1 3.65Å; L93-F115 HydrophobicContact CD1-CD2 4.17Å; L93-F115 HydrophobicContact CD1-CE1 4.35Å; L93-F115 HydrophobicContact CD1-CG 3.55Å; L93-F115 HydrophobicContact CD2-CB 4.04Å; L93-F115 HydrophobicContact CD2-CD2 4.22Å; L93-F115 HydrophobicContact CD2-CG 4.23Å; L93-F115 HydrophobicContact CG-CB 4.39Å; L93-G116 PolarHBondContact N-O 3.02Å; L93-M117 CarbonylContact O-C 3.52Å; L93-M117 WeakPolarHBondContact O-CA 3.17Å; L93-S118 PolarHBondContact O-N 3.41Å; L93-S118 VanDerWaalsContact O-O 3.13Å; L93-S153 WeakPolarHBondContact CD1-OG 3.48Å
94	C	98.6	Very high	95.5	Very high	4 Å²	4	47.2 Å²	47.2	3%	0.027	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	144.6	167.9	-68	0	0	0	0	110.8	Q96 S118 C121 Y175 L177	C94-Q96 VanDerWaalsContact O-CG 3.23Å; C94-Q96 WeakPolarHBondContact O-CG 3.14Å; C94-Q96 PolarHBondContact O-N 3.44Å; C94-Q96 VanDerWaalsContact O-N 3.12Å; C94-Q96 PolarHBondContact O-NE2 2.92Å; C94-S118 WeakPolarHBondContact CA-O 3.47Å; C94-C121 WeakPolarHBondContact CA-SG 3.43Å; C94-C121 HydrophobicContact CB-CB 3.75Å; C94-C121 WeakPolarHBondContact CB-SG 3.46Å; C94-C121 WeakPolarHBondContact SG-CB 3.42Å; C94-C121 CovalentContact SG-SG 2.04Å; C94-C121 PolarHBondContact SG-SG 3.45Å; C94-Y175 PolarHBondContact SG-O 3.19Å; C94-L177 HydrophobicContact CB-CD1 4.16Å; C94-L177 HydrophobicContact CB-CG 4.33Å
95	F	98.3	Very high	95.4	Very high	19 Å²	19	46.6 Å²	46.6	8%	0.083	24%	0.238	C	C	.	.	S	Bend	trans	-58	115.9	-171.8	-153.8	-84.7	0	0	0	112	M117 S118 E119 F180 S297 W298 L301	F95-M117 HydrophobicContact CD2-CG 4.37Å; F95-M117 HydrophobicContact CE2-CE 4.4Å; F95-M117 HydrophobicContact CE2-CG 4.33Å; F95-M117 HydrophobicContact CE2-SD 4.3Å; F95-M117 HydrophobicContact CZ-CE 4.27Å; F95-M117 HydrophobicContact CZ-SD 4.39Å; F95-S118 PolarHBondContact N-O 3.38Å; F95-S118 VanDerWaalsContact N-O 3.08Å; F95-E119 HydrophobicContact CB-CG 4.13Å; F95-F180 HydrophobicContact CB-CD2 4.46Å; F95-F180 HydrophobicContact CB-CE2 3.98Å; F95-F180 HydrophobicContact CB-CZ 4.15Å; F95-F180 AromaticContact CD1-CE2 3.86Å; F95-F180 HydrophobicContact CD1-CE2 3.86Å; F95-F180 AromaticContact CD1-CZ 3.85Å; F95-F180 HydrophobicContact CD1-CZ 3.85Å; F95-F180 HydrophobicContact CG-CE2 4.29Å; F95-F180 HydrophobicContact CG-CZ 4.2Å; F95-S297 VanDerWaalsContact CE1-C 3.48Å; F95-S297 VanDerWaalsContact CE1-O 3.31Å; F95-S297 WeakPolarHBondContact CE1-O 3.25Å; F95-S297 VanDerWaalsContact CE2-CB 3.43Å; F95-S297 VanDerWaalsContact CZ-CB 3.43Å; F95-W298 HydrophobicContact CE1-CD2 4.27Å; F95-W298 HydrophobicContact CE1-CG 4.41Å; F95-W298 AromaticContact CZ-CD1 3.87Å; F95-W298 AromaticContact CZ-CD2 3.92Å; F95-W298 HydrophobicContact CZ-CD2 3.92Å; F95-W298 AromaticContact CZ-CE2 3.93Å; F95-W298 AromaticContact CZ-CG 3.94Å; F95-W298 HydrophobicContact CZ-CG 3.94Å; F95-W298 AromaticContact CZ-NE1 3.85Å; F95-L301 HydrophobicContact CD1-CB 4.13Å; F95-L301 HydrophobicContact CD1-CD2 4.18Å; F95-L301 HydrophobicContact CE1-CB 3.91Å; F95-L301 HydrophobicContact CE1-CD2 3.83Å; F95-L301 HydrophobicContact CE1-CG 4.45Å
96	Q	96.9	Very high	95.2	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	26%	0.26	C	S	.	.	S	Bend	trans	-159.6	168.7	-172	66.7	-167.2	-89.5	0	0	110.3	C94 L98 G152 L177	C94-Q96 VanDerWaalsContact O-CG 3.23Å; C94-Q96 WeakPolarHBondContact O-CG 3.14Å; C94-Q96 PolarHBondContact O-N 3.44Å; C94-Q96 VanDerWaalsContact O-N 3.12Å; C94-Q96 PolarHBondContact O-NE2 2.92Å; Q96-L98 HydrophobicContact CG-CD2 4.21Å; Q96-L98 PolarHBondContact O-N 3.48Å; Q96-G152 PolarHBondContact NE2-O 3.34Å; Q96-L177 HydrophobicContact CB-CD1 4.42Å; Q96-L177 VanDerWaalsContact NE2-CD1 3.28Å
97	N	94.4	Very high	94.8	Very high	59 Å²	59	48.7 Å²	48.7	32%	0.316	24%	0.243	S	C	.	.			trans	-70.3	126.1	169.5	-176.3	-4.9	0	0	0	109.2	E99 W100	N97-E99 PolarHBondContact ND2-OE2 3.04Å; N97-E99 WeakPolarHBondContact OD1-CB 3.23Å; N97-E99 PolarHBondContact OD1-N 2.77Å; N97-W100 PolarHBondContact O-NE1 3.44Å
98	L	95.1	Very high	94.5	Very high	49 Å²	49	49.4 Å²	49.4	26%	0.257	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-4.6	-179	-64.5	-179.4	0	0	0	114.5	L93 Q96 W100 L101 M117	L93-L98 HydrophobicContact CD2-CD2 3.97Å; Q96-L98 HydrophobicContact CG-CD2 4.21Å; Q96-L98 PolarHBondContact O-N 3.48Å; L98-W100 PolarHBondContact O-N 3Å; L98-L101 HydrophobicContact CB-CD1 4.34Å; L98-L101 HydrophobicContact CD2-CD1 4.01Å; L98-L101 WeakPolarHBondContact O-CB 3.46Å; L98-L101 PolarHBondContact O-N 3.37Å; L98-L101 VanDerWaalsContact O-N 3.1Å; L98-M117 HydrophobicContact CD1-CB 4.29Å; L98-M117 HydrophobicContact CD1-CG 4.21Å; L98-M117 HydrophobicContact CD1-SD 4.1Å; L98-M117 HydrophobicContact CD2-CB 4.34Å; L98-M117 HydrophobicContact CG-SD 4.01Å
99	E	93.3	Very high	94.2	Very high	118 Å²	118	50.6 Å²	50.6	55%	0.551	25%	0.249	S	C	*	.	H	α-helix	trans	-57.5	-33.4	-179.3	-173.7	176.4	-171.6	0	0	113.1	N97 L101 S102 I103	N97-E99 PolarHBondContact ND2-OE2 3.04Å; N97-E99 WeakPolarHBondContact OD1-CB 3.23Å; N97-E99 PolarHBondContact OD1-N 2.77Å; E99-L101 PolarHBondContact O-N 3.34Å; E99-L101 VanDerWaalsContact O-N 3.16Å; E99-S102 PolarHBondContact O-N 3.24Å; E99-S102 VanDerWaalsContact O-N 3.08Å; E99-S102 PolarHBondContact O-OG 3.09Å; E99-I103 HydrophobicContact CG-CD1 4.08Å; E99-I103 PolarHBondContact O-N 2.88Å
100	W	92.3	Very high	94.1	Very high	24 Å²	24	46.4 Å²	46.4	9%	0.091	22%	0.224	C	C	.	.	H	α-helix	trans	-60	-27.5	178.5	71.5	-98.8	0	0	0	113	L93 N97 L98 S102 I103 N104 Y112 T151 I156	L93-W100 HydrophobicContact CD2-CZ2 4.18Å; N97-W100 PolarHBondContact O-NE1 3.44Å; L98-W100 PolarHBondContact O-N 3Å; W100-S102 VanDerWaalsContact C-N 3.32Å; W100-S102 PolarHBondContact O-N 3.06Å; W100-I103 PolarHBondContact O-N 3.26Å; W100-N104 HydrophobicContact CE3-CB 4.25Å; W100-N104 VanDerWaalsContact CE3-ND2 3.31Å; W100-N104 VanDerWaalsContact O-CB 3.3Å; W100-N104 WeakPolarHBondContact O-CB 3.25Å; W100-N104 PolarHBondContact O-N 3.5Å; W100-Y112 HydrophobicContact CZ3-CE2 4.41Å; W100-T151 VanDerWaalsContact CD1-CB 3.5Å; W100-T151 HydrophobicContact CG-CG2 3.99Å; W100-I156 HydrophobicContact CH2-CD1 3.75Å; W100-I156 HydrophobicContact CH2-CG2 3.95Å; W100-I156 HydrophobicContact CZ3-CD1 3.89Å
101	L	94.5	Very high	93.9	Very high	18 Å²	18	48.6 Å²	48.6	9%	0.094	24%	0.235	C	C	.	.	H	α-helix	trans	-60.7	-45.9	176.6	-73	166.8	0	0	0	109.9	L93 L98 E99 N104 Q105 Y112 F115 I156	L93-L101 HydrophobicContact CD2-CD1 4.24Å; L98-L101 HydrophobicContact CB-CD1 4.34Å; L98-L101 HydrophobicContact CD2-CD1 4.01Å; L98-L101 WeakPolarHBondContact O-CB 3.46Å; L98-L101 PolarHBondContact O-N 3.37Å; L98-L101 VanDerWaalsContact O-N 3.1Å; E99-L101 PolarHBondContact O-N 3.34Å; E99-L101 VanDerWaalsContact O-N 3.16Å; L101-N104 PolarHBondContact O-N 2.88Å; L101-Q105 VanDerWaalsContact O-CG 3.25Å; L101-Q105 WeakPolarHBondContact O-CG 3.38Å; L101-Q105 PolarHBondContact O-N 2.91Å; L101-Y112 HydrophobicContact CB-CD2 4.38Å; L101-Y112 HydrophobicContact CD2-CD2 3.59Å; L101-Y112 HydrophobicContact CD2-CE2 3.98Å; L101-Y112 HydrophobicContact CD2-CG 4.31Å; L101-F115 HydrophobicContact CD1-CD2 4.01Å; L101-F115 HydrophobicContact CD2-CD2 4.13Å; L101-F115 HydrophobicContact CD2-CE2 4.34Å; L101-I156 HydrophobicContact CD2-CG2 4.09Å
102	S	92.8	Very high	93.8	Very high	67 Å²	67	49.4 Å²	49.4	47%	0.469	24%	0.237	S	C	.	.	H	α-helix	trans	-66	-40.5	178.7	71.9	0	0	0	0	112.1	E99 W100 R106	E99-S102 PolarHBondContact O-N 3.24Å; E99-S102 VanDerWaalsContact O-N 3.08Å; E99-S102 PolarHBondContact O-OG 3.09Å; W100-S102 VanDerWaalsContact C-N 3.32Å; W100-S102 PolarHBondContact O-N 3.06Å; S102-R106 PolarHBondContact O-N 3.39Å
103	I	91	Very high	93.5	Very high	69 Å²	69	47.5 Å²	47.5	35%	0.354	23%	0.228	S	C	.	.	H	α-helix	trans	-63.6	-47.6	176.6	-66.2	171.2	0	0	0	110.1	E99 W100 R106 M107	E99-I103 HydrophobicContact CG-CD1 4.08Å; E99-I103 PolarHBondContact O-N 2.88Å; W100-I103 PolarHBondContact O-N 3.26Å; I103-R106 PolarHBondContact O-N 2.99Å; I103-M107 HydrophobicContact CG2-CE 3.25Å; I103-M107 HydrophobicContact CG2-CG 4.08Å; I103-M107 HydrophobicContact CG2-SD 4.06Å; I103-M107 WeakPolarHBondContact O-CB 3.5Å; I103-M107 WeakPolarHBondContact O-CG 3.34Å; I103-M107 PolarHBondContact O-N 3.12Å
104	N	91.7	Very high	93.2	Very high	34 Å²	34	57.8 Å²	57.8	18%	0.182	27%	0.273	C	S	.	.	H	α-helix	trans	-64.9	-43.2	179.2	-81.1	10.8	0	0	0	111.9	W100 L101 R106 M107 L108 V110 Y112	W100-N104 HydrophobicContact CE3-CB 4.25Å; W100-N104 VanDerWaalsContact CE3-ND2 3.31Å; W100-N104 VanDerWaalsContact O-CB 3.3Å; W100-N104 WeakPolarHBondContact O-CB 3.25Å; W100-N104 PolarHBondContact O-N 3.5Å; L101-N104 PolarHBondContact O-N 2.88Å; N104-R106 PolarHBondContact O-N 3.19Å; N104-M107 PolarHBondContact O-N 2.8Å; N104-L108 HydrophobicContact CB-CD1 4.12Å; N104-L108 WeakPolarHBondContact O-CA 3.18Å; N104-L108 VanDerWaalsContact O-CB 3.3Å; N104-L108 WeakPolarHBondContact O-CB 3.46Å; N104-L108 PolarHBondContact O-N 3.37Å; N104-V110 WeakPolarHBondContact O-CG2 3.49Å; N104-Y112 HydrophobicContact CB-CE2 4.09Å
105	Q	92.4	Very high	93	Very high	72 Å²	72	59 Å²	59	34%	0.336	28%	0.278	S	S	.	.	H	α-helix	trans	-54.2	-39.3	175.1	-73	-179.6	122.4	0	0	111.5	L101 K109 V110 Y112	L101-Q105 VanDerWaalsContact O-CG 3.25Å; L101-Q105 WeakPolarHBondContact O-CG 3.38Å; L101-Q105 PolarHBondContact O-N 2.91Å; Q105-K109 WeakPolarHBondContact O-CA 3.5Å; Q105-K109 PolarHBondContact O-N 3.12Å; Q105-V110 WeakPolarHBondContact CA-O 3.38Å; Q105-V110 VanDerWaalsContact CB-O 3.26Å; Q105-V110 WeakPolarHBondContact CB-O 3.46Å; Q105-V110 HydrophobicContact CG-CG2 4.41Å; Q105-V110 VanDerWaalsContact CG-O 3.27Å; Q105-V110 WeakPolarHBondContact CG-O 3.47Å; Q105-V110 PolarHBondContact O-N 3.39Å; Q105-Y112 HydrophobicContact CG-CD2 3.52Å; Q105-Y112 HydrophobicContact CG-CE2 3.92Å; Q105-Y112 HydrophobicContact CG-CG 4.18Å
106	R	90.4	Very high	92.9	Very high	205 Å²	205	59.7 Å²	59.7	77%	0.774	29%	0.29	S	S	*	.	H	α-helix	trans	-73.1	-51.8	174.5	-176.6	179.5	173.6	-175.2	-2.6	113.1	S102 I103 N104 M445	S102-R106 PolarHBondContact O-N 3.39Å; I103-R106 PolarHBondContact O-N 2.99Å; N104-R106 PolarHBondContact O-N 3.19Å; R106-M445 WeakPolarHBondContact O-CE 3.36Å
107	M	89.4	Confident	92.9	Very high	19 Å²	19	62.1 Å²	62.1	9%	0.094	30%	0.302	C	S	.	.	H	α-helix	trans	-80	-23.4	-169.6	-63.1	-153.9	-65.2	0	0	114.1	I103 N104 I349 M352 F442 M445	I103-M107 HydrophobicContact CG2-CE 3.25Å; I103-M107 HydrophobicContact CG2-CG 4.08Å; I103-M107 HydrophobicContact CG2-SD 4.06Å; I103-M107 WeakPolarHBondContact O-CB 3.5Å; I103-M107 WeakPolarHBondContact O-CG 3.34Å; I103-M107 PolarHBondContact O-N 3.12Å; N104-M107 PolarHBondContact O-N 2.8Å; M107-I349 HydrophobicContact CB-CD1 3.57Å; M107-I349 HydrophobicContact CE-CD1 3.4Å; M107-I349 HydrophobicContact CE-CG1 4.06Å; M107-I349 HydrophobicContact CG-CD1 4.42Å; M107-I349 HydrophobicContact SD-CD1 4.12Å; M107-M352 HydrophobicContact CE-CG 4.49Å; M107-M352 HydrophobicContact SD-CB 4.17Å; M107-M352 HydrophobicContact SD-CG 3.58Å; M107-M352 VanDerWaalsContact SD-CG 3.58Å; M107-F442 WeakPolarHBondContact O-CE1 3.35Å; M107-M445 WeakPolarHBondContact O-CE 3.35Å; M107-M445 VanDerWaalsContact O-SD 3.34Å
108	L	91	Very high	93.1	Very high	16 Å²	16	60.9 Å²	60.9	8%	0.084	30%	0.298	C	S	.	.	H	α-helix	trans	-108.5	-4.2	-178.8	-61	177	0	0	0	113.3	N104 V110 I349 F442 R459	N104-L108 HydrophobicContact CB-CD1 4.12Å; N104-L108 WeakPolarHBondContact O-CA 3.18Å; N104-L108 VanDerWaalsContact O-CB 3.3Å; N104-L108 WeakPolarHBondContact O-CB 3.46Å; N104-L108 PolarHBondContact O-N 3.37Å; L108-V110 HydrophobicContact CB-CG1 3.96Å; L108-V110 HydrophobicContact CB-CG2 3.95Å; L108-I349 HydrophobicContact CD2-CD1 3.72Å; L108-I349 HydrophobicContact CD2-CG1 4.48Å; L108-I349 HydrophobicContact CG-CD1 4.04Å; L108-F442 WeakPolarHBondContact O-CE1 3.43Å; L108-F442 WeakPolarHBondContact O-CZ 3.46Å; L108-R459 PolarHBondContact O-NH1 2.84Å; L108-R459 PolarHBondContact O-NH2 3.17Å
109	K	91.1	Very high	93.2	Very high	59 Å²	59	59.2 Å²	59.2	26%	0.257	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	56.1	-172.1	-71.3	-169.8	165.9	-170	0	112.1	Q105 C441 F442 M445	Q105-K109 WeakPolarHBondContact O-CA 3.5Å; Q105-K109 PolarHBondContact O-N 3.12Å; K109-C441 HydrophobicContact CD-CB 3.89Å; K109-C441 WeakPolarHBondContact CD-O 3.28Å; K109-C441 WeakPolarHBondContact CE-O 3.41Å; K109-C441 PolarHBondContact NZ-O 3.19Å; K109-F442 HydrophobicContact CB-CE1 4.39Å; K109-F442 HydrophobicContact CG-CE1 4.36Å; K109-M445 HydrophobicContact CD-CE 4.28Å; K109-M445 HydrophobicContact CG-CE 3.53Å
110	V	92.6	Very high	93.5	Very high	11 Å²	11	55.7 Å²	55.7	7%	0.067	27%	0.274	C	S	.	.			trans	-121.2	159.7	-179.5	-65.7	0	0	0	0	109.1	N104 Q105 L108 Y112 V472	N104-V110 WeakPolarHBondContact O-CG2 3.49Å; Q105-V110 WeakPolarHBondContact CA-O 3.38Å; Q105-V110 VanDerWaalsContact CB-O 3.26Å; Q105-V110 WeakPolarHBondContact CB-O 3.46Å; Q105-V110 HydrophobicContact CG-CG2 4.41Å; Q105-V110 VanDerWaalsContact CG-O 3.27Å; Q105-V110 WeakPolarHBondContact CG-O 3.47Å; Q105-V110 PolarHBondContact O-N 3.39Å; L108-V110 HydrophobicContact CB-CG1 3.96Å; L108-V110 HydrophobicContact CB-CG2 3.95Å; V110-Y112 HydrophobicContact CB-CE1 4.04Å; V110-Y112 HydrophobicContact CG2-CE1 3.87Å; V110-Y112 HydrophobicContact CG2-CE2 3.76Å; V110-Y112 WeakPolarHBondContact CG2-OH 3.33Å; V110-V472 CarbonylContact C-O 3.57Å; V110-V472 WeakPolarHBondContact CA-O 3.46Å; V110-V472 VanDerWaalsContact CB-O 3.24Å; V110-V472 WeakPolarHBondContact CB-O 3.45Å
111	Q	93.5	Very high	93.8	Very high	88 Å²	88	54.6 Å²	54.6	41%	0.411	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-129.9	135.3	176.8	-52.7	179.5	24.7	0	0	108.9	I471 V472 E475	Q111-I471 WeakPolarHBondContact O-CA 3.38Å; Q111-V472 HydrophobicContact CB-CB 3.8Å; Q111-V472 HydrophobicContact CB-CG2 3.95Å; Q111-V472 HydrophobicContact CG-CB 3.95Å; Q111-V472 HydrophobicContact CG-CG2 4.16Å; Q111-V472 PolarHBondContact N-O 3.33Å; Q111-V472 PolarHBondContact O-N 2.98Å; Q111-E475 PolarHBondContact NE2-OE2 3.3Å
112	Y	92.9	Very high	94	Very high	31 Å²	31	53.8 Å²	53.8	12%	0.122	27%	0.266	C	S	.	.			trans	-126.4	145.2	-176.8	-57.1	-42.9	0	0	0	110.5	W100 L101 N104 Q105 V110 F115 I156 I471	W100-Y112 HydrophobicContact CZ3-CE2 4.41Å; L101-Y112 HydrophobicContact CB-CD2 4.38Å; L101-Y112 HydrophobicContact CD2-CD2 3.59Å; L101-Y112 HydrophobicContact CD2-CE2 3.98Å; L101-Y112 HydrophobicContact CD2-CG 4.31Å; N104-Y112 HydrophobicContact CB-CE2 4.09Å; Q105-Y112 HydrophobicContact CG-CD2 3.52Å; Q105-Y112 HydrophobicContact CG-CE2 3.92Å; Q105-Y112 HydrophobicContact CG-CG 4.18Å; V110-Y112 HydrophobicContact CB-CE1 4.04Å; V110-Y112 HydrophobicContact CG2-CE1 3.87Å; V110-Y112 HydrophobicContact CG2-CE2 3.76Å; V110-Y112 WeakPolarHBondContact CG2-OH 3.33Å; Y112-F115 HydrophobicContact CG-CE2 4.48Å; Y112-I156 HydrophobicContact CD1-CB 4.06Å; Y112-I156 HydrophobicContact CD1-CG2 4.08Å; Y112-I156 HydrophobicContact CE1-CB 3.7Å; Y112-I156 HydrophobicContact CE1-CG2 4.05Å; Y112-I156 HydrophobicContact CG-CG2 4.34Å; Y112-I471 HydrophobicContact CD1-CG2 4.42Å
113	P	92.3	Very high	94.3	Very high	35 Å²	35	51.8 Å²	51.8	23%	0.227	25%	0.248	C	C	.	.			trans	-66.6	166.4	168.3	29.6	-32.9	0	0	0	110.3	Y90 F115 D470 I471	Y90-P113 HydrophobicContact CD2-CG 4.13Å; Y90-P113 HydrophobicContact CE2-CG 4.25Å; P113-F115 HydrophobicContact CG-CE1 3.69Å; P113-F115 HydrophobicContact CG-CE2 4.19Å; P113-F115 HydrophobicContact CG-CZ 3.47Å; P113-F115 VanDerWaalsContact CG-CZ 3.47Å; P113-F115 VanDerWaalsContact O-CD2 3.29Å; P113-F115 WeakPolarHBondContact O-CD2 3Å; P113-F115 WeakPolarHBondContact O-CE2 3.5Å; P113-F115 PolarHBondContact O-N 3.07Å; P113-D470 HydrophobicContact CB-CB 4.37Å; P113-D470 HydrophobicContact CG-CB 4.49Å; P113-I471 HydrophobicContact CG-CG1 4.45Å
114	K	91.9	Very high	94.6	Very high	216 Å²	216	48.5 Å²	48.5	94%	0.939	23%	0.231	S	C	*	.			trans	-69.5	127.3	174.2	-69.9	-176.1	-179.7	178.4	0	109.8
115	F	95.1	Very high	95	Very high	30 Å²	30	46.9 Å²	46.9	13%	0.132	22%	0.223	C	C	.	.			trans	-111.4	142.6	178.3	-65	-60.6	0	0	0	111.9	Y90 L93 L101 Y112 P113 S155 I156	Y90-F115 HydrophobicContact CD2-CE1 4.17Å; Y90-F115 HydrophobicContact CG-CE1 4.06Å; L93-F115 HydrophobicContact CD1-CB 3.63Å; L93-F115 HydrophobicContact CD1-CD1 3.65Å; L93-F115 HydrophobicContact CD1-CD2 4.17Å; L93-F115 HydrophobicContact CD1-CE1 4.35Å; L93-F115 HydrophobicContact CD1-CG 3.55Å; L93-F115 HydrophobicContact CD2-CB 4.04Å; L93-F115 HydrophobicContact CD2-CD2 4.22Å; L93-F115 HydrophobicContact CD2-CG 4.23Å; L93-F115 HydrophobicContact CG-CB 4.39Å; L101-F115 HydrophobicContact CD1-CD2 4.01Å; L101-F115 HydrophobicContact CD2-CD2 4.13Å; L101-F115 HydrophobicContact CD2-CE2 4.34Å; Y112-F115 HydrophobicContact CG-CE2 4.48Å; P113-F115 HydrophobicContact CG-CE1 3.69Å; P113-F115 HydrophobicContact CG-CE2 4.19Å; P113-F115 HydrophobicContact CG-CZ 3.47Å; P113-F115 VanDerWaalsContact CG-CZ 3.47Å; P113-F115 VanDerWaalsContact O-CD2 3.29Å; P113-F115 WeakPolarHBondContact O-CD2 3Å; P113-F115 WeakPolarHBondContact O-CE2 3.5Å; P113-F115 PolarHBondContact O-N 3.07Å; F115-S155 VanDerWaalsContact CZ-O 3.3Å; F115-S155 WeakPolarHBondContact CZ-O 3.28Å; F115-I156 HydrophobicContact CE2-CG2 3.91Å; F115-I156 HydrophobicContact CZ-CG2 4.38Å
116	G	96.2	Very high	95.3	Very high	33 Å²	33	43.5 Å²	43.5	34%	0.34	21%	0.207	S	C	.	.			trans	-87.7	170.1	160.5	0	0	0	0	0	111.2	N92 L93	N92-G116 VanDerWaalsContact OD1-CA 3.29Å; N92-G116 WeakPolarHBondContact OD1-CA 3.36Å; L93-G116 PolarHBondContact N-O 3.02Å
117	M	96.5	Very high	95.7	Very high	52 Å²	52	33.7 Å²	33.7	26%	0.256	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	146.6	174.2	64.3	179.9	170.5	0	0	110.6	L93 F95 L98 W298	L93-M117 CarbonylContact O-C 3.52Å; L93-M117 WeakPolarHBondContact O-CA 3.17Å; F95-M117 HydrophobicContact CD2-CG 4.37Å; F95-M117 HydrophobicContact CE2-CE 4.4Å; F95-M117 HydrophobicContact CE2-CG 4.33Å; F95-M117 HydrophobicContact CE2-SD 4.3Å; F95-M117 HydrophobicContact CZ-CE 4.27Å; F95-M117 HydrophobicContact CZ-SD 4.39Å; L98-M117 HydrophobicContact CD1-CB 4.29Å; L98-M117 HydrophobicContact CD1-CG 4.21Å; L98-M117 HydrophobicContact CD1-SD 4.1Å; L98-M117 HydrophobicContact CD2-CB 4.34Å; L98-M117 HydrophobicContact CG-SD 4.01Å; M117-W298 HydrophobicContact CE-CH2 3.61Å; M117-W298 HydrophobicContact CE-CZ2 3.19Å
118	S	98.3	Very high	96.1	Very high	33 Å²	33	32.9 Å²	32.9	23%	0.231	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	156.8	179.9	-173.5	0	0	0	0	110.7	L93 C94 F95 D120 C121	L93-S118 PolarHBondContact O-N 3.41Å; L93-S118 VanDerWaalsContact O-O 3.13Å; C94-S118 WeakPolarHBondContact CA-O 3.47Å; F95-S118 PolarHBondContact N-O 3.38Å; F95-S118 VanDerWaalsContact N-O 3.08Å; S118-D120 VanDerWaalsContact C-N 3.28Å; S118-D120 WeakPolarHBondContact CB-O 3.37Å; S118-D120 PolarHBondContact OG-N 3.09Å; S118-C121 WeakPolarHBondContact O-CB 3.4Å
119	E	98.6	Very high	96.4	Very high	14 Å²	14	32.1 Å²	32.1	7%	0.065	16%	0.162	C	C	.	.	S	Bend	trans	-72.2	-27.2	163.5	-75.8	-176.4	-109.8	0	0	111.5	P66 L67 R71 F95 C121 F180 S297	P66-E119 VanDerWaalsContact CD-O 3.31Å; P66-E119 WeakPolarHBondContact CD-O 3.49Å; P66-E119 VanDerWaalsContact CG-O 3.32Å; P66-E119 WeakPolarHBondContact CG-O 3.46Å; L67-E119 HydrophobicContact CD2-CB 3.48Å; L67-E119 VanDerWaalsContact CD2-CB 3.48Å; R71-E119 IonicContact CZ-OE1 3.19Å; R71-E119 IonicContact CZ-OE2 3.54Å; R71-E119 IonicContact NE-OE1 3.67Å; R71-E119 IonicContact NE-OE2 2.85Å; R71-E119 PolarHBondContact NE-OE2 3.18Å; R71-E119 IonicContact NH2-OE1 2.98Å; R71-E119 PolarHBondContact NH2-OE1 2.75Å; R71-E119 IonicContact NH2-OE2 4Å; R71-E119 PolarHBondContact NH2-OE2 3.18Å; F95-E119 HydrophobicContact CB-CG 4.13Å; E119-C121 VanDerWaalsContact C-N 3.3Å; E119-C121 PolarHBondContact O-N 3.04Å; E119-F180 VanDerWaalsContact CD-CE1 3.46Å; E119-F180 HydrophobicContact CG-CD1 4.09Å; E119-F180 HydrophobicContact CG-CE1 3.77Å; E119-F180 HydrophobicContact CG-CZ 4.4Å; E119-S297 VanDerWaalsContact OE1-CB 3.27Å; E119-S297 WeakPolarHBondContact OE1-CB 2.95Å; E119-S297 PolarHBondContact OE1-OG 3.27Å
120	D	98.5	Very high	96.6	Very high	44 Å²	44	30.5 Å²	30.5	24%	0.235	16%	0.16	C	C	.	.			trans	-73.1	87.8	165.4	-179	6	0	0	0	109	P65 S118 Y123	P65-D120 HydrophobicContact CB-CB 3.89Å; P65-D120 HydrophobicContact CG-CB 4.35Å; P65-D120 WeakPolarHBondContact CG-OD1 3.49Å; S118-D120 VanDerWaalsContact C-N 3.28Å; S118-D120 WeakPolarHBondContact CB-O 3.37Å; S118-D120 PolarHBondContact OG-N 3.09Å; D120-Y123 VanDerWaalsContact CG-OH 3.31Å; D120-Y123 WeakPolarHBondContact OD1-CE2 3.47Å; D120-Y123 PolarHBondContact OD1-OH 2.89Å; D120-Y123 PolarHBondContact OD2-OH 2.84Å
121	C	98.6	Very high	96.7	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.007	18%	0.177	C	C	.	.			trans	-140.2	5.3	-171.7	75.3	0	0	0	0	114.9	C94 S118 E119 Y123 Q174	C94-C121 WeakPolarHBondContact CA-SG 3.43Å; C94-C121 HydrophobicContact CB-CB 3.75Å; C94-C121 WeakPolarHBondContact CB-SG 3.46Å; C94-C121 WeakPolarHBondContact SG-CB 3.42Å; C94-C121 CovalentContact SG-SG 2.04Å; C94-C121 PolarHBondContact SG-SG 3.45Å; S118-C121 WeakPolarHBondContact O-CB 3.4Å; E119-C121 VanDerWaalsContact C-N 3.3Å; E119-C121 PolarHBondContact O-N 3.04Å; C121-Y123 PolarHBondContact O-N 2.98Å; C121-Q174 WeakPolarHBondContact O-CB 3.43Å; C121-Q174 PolarHBondContact O-NE2 3.44Å
122	L	98.8	Very high	96.9	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.157	C	C	.	.			trans	-80.9	70.1	-176.6	-60.2	-173.8	0	0	0	111.9	F62 A63 P66 P75 R176 D198	F62-L122 WeakPolarHBondContact CD1-O 3.41Å; F62-L122 HydrophobicContact CE1-CB 4.17Å; F62-L122 HydrophobicContact CE2-CB 3.98Å; F62-L122 HydrophobicContact CE2-CD2 4.47Å; F62-L122 HydrophobicContact CZ-CB 3.75Å; F62-L122 HydrophobicContact CZ-CD2 4.01Å; F62-L122 HydrophobicContact CZ-CG 4.4Å; F62-L122 PolarHBondContact N-O 3.37Å; F62-L122 VanDerWaalsContact N-O 3.12Å; A63-L122 HydrophobicContact CB-CB 3.97Å; A63-L122 HydrophobicContact CB-CD1 3.65Å; A63-L122 HydrophobicContact CB-CG 4.47Å; P66-L122 HydrophobicContact CB-CD1 4.41Å; P66-L122 HydrophobicContact CG-CD1 4.04Å; P66-L122 HydrophobicContact CG-CG 4.17Å; P75-L122 HydrophobicContact CB-CD1 4.18Å; L122-R176 HydrophobicContact CD2-CG 4.3Å; L122-D198 HydrophobicContact CD2-CB 4.05Å
123	Y	98.8	Very high	96.9	Very high	25 Å²	25	32.2 Å²	32.2	10%	0.098	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	156.5	-176.4	-62.5	-84.6	0	0	0	112	G59 I60 P61 F62 P91 D120 C121 Q174	G59-Y123 WeakPolarHBondContact O-CD1 3.47Å; I60-Y123 CarbonylContact O-C 3.33Å; I60-Y123 VanDerWaalsContact O-CA 3.3Å; I60-Y123 WeakPolarHBondContact O-CA 3.39Å; P61-Y123 HydrophobicContact CB-CD1 3.94Å; P61-Y123 HydrophobicContact CB-CE1 3.71Å; P61-Y123 HydrophobicContact CG-CE1 4.32Å; F62-Y123 WeakPolarHBondContact CE1-O 3.39Å; P91-Y123 HydrophobicContact CB-CD1 4.32Å; P91-Y123 HydrophobicContact CB-CD2 3.67Å; P91-Y123 HydrophobicContact CB-CE2 4.45Å; P91-Y123 HydrophobicContact CB-CG 3.63Å; P91-Y123 HydrophobicContact CG-CG 4.25Å; D120-Y123 VanDerWaalsContact CG-OH 3.31Å; D120-Y123 WeakPolarHBondContact OD1-CE2 3.47Å; D120-Y123 PolarHBondContact OD1-OH 2.89Å; D120-Y123 PolarHBondContact OD2-OH 2.84Å; C121-Y123 PolarHBondContact O-N 2.98Å; Y123-Q174 PolarHBondContact O-N 3.08Å
124	L	98.8	Very high	96.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	157.2	171	58.9	81	0	0	0	111.8	G59 I60 F62 I126 V171 S172 I173 W205	G59-L124 PolarHBondContact N-O 3.45Å; I60-L124 HydrophobicContact CB-CD1 3.94Å; I60-L124 HydrophobicContact CB-CG 4.49Å; I60-L124 HydrophobicContact CD1-CD1 4.3Å; I60-L124 PolarHBondContact N-O 2.97Å; I60-L124 PolarHBondContact O-N 2.85Å; F62-L124 HydrophobicContact CB-CD2 3.88Å; F62-L124 HydrophobicContact CD1-CB 4.21Å; F62-L124 HydrophobicContact CD1-CD2 4.01Å; F62-L124 HydrophobicContact CD1-CG 4.21Å; F62-L124 HydrophobicContact CG-CD2 4.3Å; L124-I126 HydrophobicContact CD1-CD1 3.88Å; L124-I126 HydrophobicContact CD1-CG1 3.7Å; L124-V171 HydrophobicContact CB-CG1 4.28Å; L124-V171 HydrophobicContact CD1-CG1 4.22Å; L124-V171 HydrophobicContact CD2-CG1 4.36Å; L124-S172 CarbonylContact C-O 3.53Å; L124-S172 VanDerWaalsContact CA-O 3.25Å; L124-S172 WeakPolarHBondContact CA-O 3.36Å; L124-S172 WeakPolarHBondContact CB-O 3.49Å; L124-I173 HydrophobicContact CB-CB 4.47Å; L124-I173 HydrophobicContact CB-CG2 3.94Å; L124-I173 HydrophobicContact CD2-CG2 4.48Å; L124-W205 HydrophobicContact CD1-CE3 4.19Å; L124-W205 HydrophobicContact CD1-CH2 4.05Å; L124-W205 HydrophobicContact CD1-CZ3 3.8Å; L124-W205 HydrophobicContact CD2-CD2 3.87Å; L124-W205 HydrophobicContact CD2-CE3 3.49Å; L124-W205 VanDerWaalsContact CD2-CE3 3.49Å; L124-W205 HydrophobicContact CD2-CG 4.37Å; L124-W205 HydrophobicContact CD2-CZ3 3.97Å; L124-W205 HydrophobicContact CG-CE3 4.45Å
125	N	98.8	Very high	97.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	143.3	175.8	-58.2	-32.3	0	0	0	109.1	F57 L58 G59 V171 S172	F57-N125 CarbonylContact O-C 3.52Å; F57-N125 VanDerWaalsContact O-CA 3.28Å; F57-N125 WeakPolarHBondContact O-CA 3.43Å; L58-N125 WeakPolarHBondContact CA-OD1 3.28Å; L58-N125 HydrophobicContact CD2-CB 3.86Å; G59-N125 PolarHBondContact N-OD1 3.24Å; N125-V171 CarbonylContact O-C 3.6Å; N125-V171 VanDerWaalsContact O-CA 3.26Å; N125-V171 WeakPolarHBondContact O-CA 3.33Å; N125-S172 PolarHBondContact N-O 2.8Å; N125-S172 PolarHBondContact O-N 3.39Å
126	I	98.8	Very high	97.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.1	180	-55.1	-179.7	0	0	0	109.6	V56 F57 I60 L124 L169 I170 V171 W205 I210 F213	V56-I126 WeakPolarHBondContact CA-O 3.34Å; F57-I126 HydrophobicContact CB-CB 4.36Å; F57-I126 HydrophobicContact CD2-CB 4.36Å; F57-I126 PolarHBondContact N-O 3Å; F57-I126 PolarHBondContact O-N 3.41Å; I60-I126 HydrophobicContact CD1-CD1 3.82Å; I60-I126 HydrophobicContact CD1-CG1 4.28Å; L124-I126 HydrophobicContact CD1-CD1 3.88Å; L124-I126 HydrophobicContact CD1-CG1 3.7Å; I126-L169 HydrophobicContact CG2-CD2 4.48Å; I126-I170 CarbonylContact C-O 3.49Å; I126-I170 WeakPolarHBondContact CA-O 3.37Å; I126-V171 HydrophobicContact CG1-CG1 4.4Å; I126-V171 HydrophobicContact CG1-CG2 4.29Å; I126-W205 HydrophobicContact CD1-CH2 3.71Å; I126-W205 HydrophobicContact CD1-CZ3 3.79Å; I126-I210 HydrophobicContact CD1-CD1 4.17Å; I126-I210 HydrophobicContact CG2-CD1 4.5Å; I126-F213 HydrophobicContact CD1-CD1 3.92Å; I126-F213 HydrophobicContact CD1-CD2 3.96Å; I126-F213 HydrophobicContact CD1-CE1 3.83Å; I126-F213 HydrophobicContact CD1-CE2 3.88Å; I126-F213 HydrophobicContact CD1-CG 4Å; I126-F213 HydrophobicContact CD1-CZ 3.82Å; I126-F213 HydrophobicContact CG2-CB 4.47Å; I126-F213 HydrophobicContact CG2-CD1 4.15Å; I126-F213 HydrophobicContact CG2-CG 4.39Å
127	H	98.5	Very high	97.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	114	171.4	-51.1	80.7	0	0	0	107.7	V54 D158 G159 S160 A163 I170	V54-H127 HydrophobicContact CG1-CB 4.01Å; H127-D158 IonicContact CD2-OD1 2.93Å; H127-D158 IonicContact NE2-OD1 2.96Å; H127-G159 PolarHBondContact CE1-N 2.75Å; H127-S160 PolarHBondContact CD2-OG 3.43Å; H127-A163 HydrophobicContact CB-CB 4.27Å; H127-I170 HydrophobicContact CB-CB 4.32Å; H127-I170 PolarHBondContact N-O 3.12Å; H127-I170 PolarHBondContact O-N 3.25Å
128	A	98.3	Very high	97.3	Very high	2 Å²	2	33.4 Å²	33.4	2%	0.017	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	137	-177.5	0	0	0	0	0	110.2	V54 N55 A130 A132 L169	V54-A128 CarbonylContact C-O 3.55Å; V54-A128 WeakPolarHBondContact CA-O 3.25Å; V54-A128 WeakPolarHBondContact CG1-O 3.31Å; N55-A128 PolarHBondContact N-O 3.12Å; N55-A128 PolarHBondContact O-N 2.94Å; A128-A130 PolarHBondContact O-N 3.15Å; A128-A132 HydrophobicContact CB-CB 4.36Å; A128-L169 HydrophobicContact CB-CD1 4.37Å; A128-L169 HydrophobicContact CB-CD2 4.25Å; A128-L169 HydrophobicContact CB-CG 3.91Å
129	P	97.4	Very high	97.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.2	137.8	170.9	-25.5	34.7	0	0	0	110.5	H131 A132 L138 V168	P129-H131 VanDerWaalsContact CB-CE1 3.48Å; P129-H131 WeakPolarHBondContact CB-CE1 3.38Å; P129-H131 PolarHBondContact O-N 3.16Å; P129-A132 WeakPolarHBondContact O-CB 3.26Å; P129-A132 PolarHBondContact O-N 2.8Å; P129-L138 HydrophobicContact CG-CD1 4Å; P129-V168 WeakPolarHBondContact CD-O 3.49Å
130	A	96	Very high	97.4	Very high	24 Å²	24	31.9 Å²	31.9	20%	0.198	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-26.6	-169.7	0	0	0	0	0	114.5	P53 N55 A128 A132	P53-A130 HydrophobicContact CB-CB 3.96Å; P53-A130 HydrophobicContact CG-CB 3.62Å; P53-A130 WeakPolarHBondContact O-CB 3.49Å; P53-A130 PolarHBondContact O-N 2.89Å; N55-A130 PolarHBondContact ND2-O 2.85Å; A128-A130 PolarHBondContact O-N 3.15Å; A130-A132 PolarHBondContact O-N 2.73Å
131	H	95.1	Very high	97.4	Very high	92 Å²	92	29.8 Å²	29.8	43%	0.426	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-11.1	176	72.9	-87.9	0	0	0	113.5	P129 N133 D167	P129-H131 VanDerWaalsContact CB-CE1 3.48Å; P129-H131 WeakPolarHBondContact CB-CE1 3.38Å; P129-H131 PolarHBondContact O-N 3.16Å; H131-N133 PolarHBondContact O-N 3.31Å; H131-N133 PolarHBondContact O-ND2 2.95Å; H131-D167 IonicContact CE1-OD1 2.84Å; H131-D167 PolarHBondContact CE1-OD1 3.41Å; H131-D167 IonicContact CE1-OD2 3.85Å; H131-D167 IonicContact NE2-OD1 2.81Å; H131-D167 PolarHBondContact NE2-OD1 3.17Å; H131-D167 IonicContact NE2-OD2 2.69Å
132	A	96.7	Very high	97.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.161	C	C	.	.			trans	-64.2	123.2	-178	0	0	0	0	0	110.7	R33 A128 P129 A130 S136 L138	R33-A132 PolarHBondContact NH2-O 2.74Å; A128-A132 HydrophobicContact CB-CB 4.36Å; P129-A132 WeakPolarHBondContact O-CB 3.26Å; P129-A132 PolarHBondContact O-N 2.8Å; A130-A132 PolarHBondContact O-N 2.73Å; A132-S136 WeakPolarHBondContact CA-OG 3.48Å; A132-L138 HydrophobicContact CB-CD1 3.84Å
133	N	93.8	Very high	97.4	Very high	75 Å²	75	29.7 Å²	29.7	40%	0.401	16%	0.161	S	C	.	.			trans	-133.8	176.1	177.3	63.2	66.4	0	0	0	108.9	H131 D135 S136 G214	H131-N133 PolarHBondContact O-N 3.31Å; H131-N133 PolarHBondContact O-ND2 2.95Å; N133-D135 PolarHBondContact O-N 3.29Å; N133-D135 PolarHBondContact OD1-N 2.98Å; N133-S136 PolarHBondContact N-OG 2.8Å; N133-S136 PolarHBondContact ND2-OG 3.19Å; N133-S136 WeakPolarHBondContact O-CB 3.44Å; N133-S136 PolarHBondContact O-N 2.82Å; N133-S136 PolarHBondContact O-OG 3.09Å; N133-G214 WeakPolarHBondContact O-CA 3.34Å
134	N	92.3	Very high	97.4	Very high	95 Å²	95	28.5 Å²	28.5	51%	0.508	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-23.5	-172.8	-65.7	1	0	0	0	114.8	K211 F212	N134-K211 WeakPolarHBondContact CA-O 3.19Å; N134-F212 WeakPolarHBondContact OD1-CA 3.2Å; N134-F212 PolarHBondContact OD1-O 3.15Å
135	D	94.6	Very high	97.4	Very high	146 Å²	146	28.6 Å²	28.6	78%	0.781	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-3.8	-178	-57.2	-43.2	0	0	0	113.2	N133 N137	N133-D135 PolarHBondContact O-N 3.29Å; N133-D135 PolarHBondContact OD1-N 2.98Å; D135-N137 VanDerWaalsContact C-N 3.31Å; D135-N137 PolarHBondContact O-N 3.07Å
136	S	96.9	Very high	97.3	Very high	33 Å²	33	29.2 Å²	29.2	23%	0.231	16%	0.163	C	C	.	.			trans	-66.6	-29.1	-174.7	-59.1	0	0	0	0	113.9	A132 N133 L138	A132-S136 WeakPolarHBondContact CA-OG 3.48Å; N133-S136 PolarHBondContact N-OG 2.8Å; N133-S136 PolarHBondContact ND2-OG 3.19Å; N133-S136 WeakPolarHBondContact O-CB 3.44Å; N133-S136 PolarHBondContact O-N 2.82Å; N133-S136 PolarHBondContact O-OG 3.09Å; S136-L138 PolarHBondContact O-N 3.07Å
137	N	97.7	Very high	97.1	Very high	96 Å²	96	30.2 Å²	30.2	51%	0.513	17%	0.173	S	C	.	.			trans	51.8	39.1	174.3	-160	42	0	0	0	114.3	D135 G214 N216	D135-N137 VanDerWaalsContact C-N 3.31Å; D135-N137 PolarHBondContact O-N 3.07Å; N137-G214 PolarHBondContact N-O 2.82Å; N137-N216 PolarHBondContact ND2-ND2 2.95Å; N137-N216 WeakPolarHBondContact OD1-CB 3.41Å; N137-N216 PolarHBondContact OD1-ND2 3.42Å; N137-N216 PolarHBondContact OD1-OD1 3.03Å
138	L	98.7	Very high	96.8	Very high	20 Å²	20	32 Å²	32	11%	0.105	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	148.3	-174.7	-63.1	175.4	0	0	0	111.8	P129 A132 S136 L169 G214 G215 N216	P129-L138 HydrophobicContact CG-CD1 4Å; A132-L138 HydrophobicContact CB-CD1 3.84Å; S136-L138 PolarHBondContact O-N 3.07Å; L138-L169 HydrophobicContact CB-CD1 3.64Å; L138-L169 HydrophobicContact CD1-CD1 3.61Å; L138-L169 HydrophobicContact CG-CD1 4.2Å; L138-G214 PolarHBondContact N-O 3.41Å; L138-G215 CarbonylContact O-C 3.56Å; L138-G215 WeakPolarHBondContact O-CA 3.32Å; L138-N216 WeakPolarHBondContact O-CB 3.34Å; L138-N216 PolarHBondContact O-N 3.04Å
139	P	98.8	Very high	96.7	Very high	16 Å²	16	32.5 Å²	32.5	10%	0.104	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	142.9	171	-13.5	23.8	0	0	0	111.2	V168 L169 A496 R497	P139-V168 HydrophobicContact CB-CG1 4.1Å; P139-V168 HydrophobicContact CG-CG1 4.12Å; P139-L169 PolarHBondContact O-N 2.77Å; P139-A496 HydrophobicContact CB-CB 4.41Å; P139-R497 HydrophobicContact CB-CG 4.41Å; P139-R497 HydrophobicContact CG-CB 4.25Å; P139-R497 HydrophobicContact CG-CG 3.45Å; P139-R497 VanDerWaalsContact CG-CG 3.45Å
140	V	98.9	Very high	96.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	130.9	179.6	-176.9	0	0	0	0	108.7	V142 L169 V171 V206 I210 S219 V220 T221	V140-V142 HydrophobicContact CG1-CG2 4.05Å; V140-L169 CarbonylContact C-O 3.6Å; V140-L169 WeakPolarHBondContact CA-O 3.38Å; V140-L169 HydrophobicContact CG2-CB 4.31Å; V140-V171 HydrophobicContact CG1-CG2 3.97Å; V140-V206 HydrophobicContact CG1-CG1 4.17Å; V140-I210 HydrophobicContact CB-CG1 4.48Å; V140-I210 HydrophobicContact CG1-CD1 4.45Å; V140-I210 HydrophobicContact CG1-CG1 3.94Å; V140-I210 HydrophobicContact CG2-CG1 3.67Å; V140-I210 HydrophobicContact CG2-CG2 4.04Å; V140-S219 PolarHBondContact N-O 3.47Å; V140-V220 HydrophobicContact CB-CG2 4.16Å; V140-V220 CarbonylContact O-C 3.58Å; V140-V220 WeakPolarHBondContact O-CA 3.29Å; V140-T221 PolarHBondContact O-N 2.85Å
141	M	98.9	Very high	96.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.9	172.1	-59.4	178.9	64.4	0	0	109.4	L162 V168 L169 I170 V171 T221 F223 I249 W492 A496	M141-L162 HydrophobicContact CE-CD2 4.34Å; M141-L162 HydrophobicContact SD-CD2 4.31Å; M141-V168 HydrophobicContact SD-CG2 4.17Å; M141-L169 PolarHBondContact N-O 3.06Å; M141-I170 HydrophobicContact CB-CD1 3.74Å; M141-I170 HydrophobicContact CG-CD1 4.28Å; M141-I170 CarbonylContact O-C 3.56Å; M141-I170 WeakPolarHBondContact O-CA 3.4Å; M141-I170 HydrophobicContact SD-CD1 4.1Å; M141-V171 PolarHBondContact O-N 3.15Å; M141-T221 CarbonylContact C-O 3.58Å; M141-T221 VanDerWaalsContact CA-O 3.26Å; M141-T221 WeakPolarHBondContact CA-O 3.24Å; M141-F223 HydrophobicContact CB-CD1 4.08Å; M141-F223 HydrophobicContact CB-CE1 3.77Å; M141-F223 HydrophobicContact CE-CD1 4.31Å; M141-F223 HydrophobicContact CE-CD2 4.28Å; M141-F223 HydrophobicContact CE-CE1 4.32Å; M141-F223 HydrophobicContact CE-CE2 4.29Å; M141-F223 HydrophobicContact CE-CG 4.31Å; M141-F223 HydrophobicContact CE-CZ 4.33Å; M141-I249 HydrophobicContact CE-CD1 4.36Å; M141-W492 HydrophobicContact CE-CB 4.12Å; M141-A496 HydrophobicContact CE-CB 4.48Å; M141-A496 HydrophobicContact CG-CB 3.59Å; M141-A496 HydrophobicContact SD-CB 3.7Å
142	V	98.9	Very high	96.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	110.3	-177.6	-173.9	0	0	0	0	109.4	V140 V171 I173 L203 V206 V220 T221 I222 F223	V140-V142 HydrophobicContact CG1-CG2 4.05Å; V142-V171 CarbonylContact C-O 3.52Å; V142-V171 VanDerWaalsContact CA-O 3.22Å; V142-V171 WeakPolarHBondContact CA-O 3.43Å; V142-V171 HydrophobicContact CG1-CB 4.41Å; V142-V171 HydrophobicContact CG2-CB 4.23Å; V142-I173 HydrophobicContact CG1-CG2 3.86Å; V142-L203 HydrophobicContact CB-CD2 4.25Å; V142-L203 HydrophobicContact CG1-CD2 4.03Å; V142-L203 HydrophobicContact CG2-CD2 4.21Å; V142-V206 HydrophobicContact CG2-CG1 4.22Å; V142-V206 HydrophobicContact CG2-CG2 4.24Å; V142-V220 HydrophobicContact CG2-CG1 3.83Å; V142-T221 PolarHBondContact N-O 3.34Å; V142-I222 HydrophobicContact CB-CG2 4.26Å; V142-I222 WeakPolarHBondContact O-CA 3.31Å; V142-F223 WeakPolarHBondContact O-CD1 3.27Å; V142-F223 PolarHBondContact O-N 3.18Å
143	W	98.9	Very high	96.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	126.8	178.2	178.5	-115.4	0	0	0	111.5	F157 V171 I173 F223 I458 F462	W143-F157 AromaticContact CD1-CD2 3.73Å; W143-F157 AromaticContact CD1-CG 3.89Å; W143-F157 HydrophobicContact CZ2-CD1 4.19Å; W143-F157 AromaticContact CZ2-CE1 3.8Å; W143-F157 HydrophobicContact CZ2-CE1 3.8Å; W143-F157 HydrophobicContact CZ2-CE2 4.28Å; W143-F157 AromaticContact CZ2-CZ 3.84Å; W143-F157 HydrophobicContact CZ2-CZ 3.84Å; W143-F157 AromaticContact NE1-CD1 3.74Å; W143-F157 AromaticContact NE1-CD2 3.07Å; W143-F157 AromaticContact NE1-CE1 3.94Å; W143-F157 AromaticContact NE1-CE2 3.28Å; W143-F157 VanDerWaalsContact NE1-CE2 3.28Å; W143-F157 AromaticContact NE1-CG 3.32Å; W143-F157 VanDerWaalsContact NE1-CG 3.32Å; W143-F157 AromaticContact NE1-CZ 3.73Å; W143-V171 PolarHBondContact N-O 3.38Å; W143-I173 PolarHBondContact O-N 3.36Å; W143-I173 VanDerWaalsContact O-N 3.13Å; W143-F223 CarbonylContact C-O 3.52Å; W143-F223 VanDerWaalsContact CA-O 3.28Å; W143-F223 WeakPolarHBondContact CA-O 3.31Å; W143-F223 HydrophobicContact CB-CD1 4.21Å; W143-F223 HydrophobicContact CB-CE1 3.55Å; W143-F223 HydrophobicContact CB-CZ 3.8Å; W143-F223 HydrophobicContact CD2-CE2 4.31Å; W143-F223 HydrophobicContact CD2-CZ 4.28Å; W143-F223 HydrophobicContact CE3-CD1 4.08Å; W143-F223 AromaticContact CE3-CD2 3.41Å; W143-F223 HydrophobicContact CE3-CD2 3.41Å; W143-F223 VanDerWaalsContact CE3-CD2 3.41Å; W143-F223 HydrophobicContact CE3-CE1 4.06Å; W143-F223 AromaticContact CE3-CE2 3.38Å; W143-F223 HydrophobicContact CE3-CE2 3.38Å; W143-F223 AromaticContact CE3-CG 3.75Å; W143-F223 HydrophobicContact CE3-CG 3.75Å; W143-F223 AromaticContact CE3-CZ 3.71Å; W143-F223 HydrophobicContact CE3-CZ 3.71Å; W143-F223 HydrophobicContact CG-CE1 4.45Å; W143-F223 HydrophobicContact CG-CZ 4.36Å; W143-F223 AromaticContact CZ3-CD2 3.65Å; W143-F223 HydrophobicContact CZ3-CD2 3.65Å; W143-F223 AromaticContact CZ3-CE2 3.83Å; W143-F223 HydrophobicContact CZ3-CE2 3.83Å; W143-F223 HydrophobicContact CZ3-CG 4.27Å; W143-I458 HydrophobicContact CH2-CD1 4.02Å; W143-I458 HydrophobicContact CH2-CG1 4.35Å; W143-I458 HydrophobicContact CH2-CG2 4.08Å; W143-I458 HydrophobicContact CZ2-CD1 4.3Å; W143-I458 HydrophobicContact CZ2-CG2 4.2Å; W143-F462 HydrophobicContact CB-CZ 4.15Å; W143-F462 AromaticContact CD1-CZ 3.96Å; W143-F462 AromaticContact CD2-CE2 3.84Å; W143-F462 HydrophobicContact CD2-CE2 3.84Å; W143-F462 AromaticContact CD2-CZ 3.5Å; W143-F462 HydrophobicContact CD2-CZ 3.5Å; W143-F462 VanDerWaalsContact CD2-CZ 3.5Å; W143-F462 AromaticContact CE2-CE2 3.87Å; W143-F462 AromaticContact CE2-CZ 3.78Å; W143-F462 AromaticContact CE3-CE2 3.86Å; W143-F462 HydrophobicContact CE3-CE2 3.86Å; W143-F462 AromaticContact CE3-CZ 3.84Å; W143-F462 HydrophobicContact CE3-CZ 3.84Å; W143-F462 HydrophobicContact CG-CE2 4.44Å; W143-F462 AromaticContact CG-CZ 3.64Å; W143-F462 HydrophobicContact CG-CZ 3.64Å; W143-F462 AromaticContact CH2-CE2 3.96Å; W143-F462 HydrophobicContact CH2-CE2 3.96Å; W143-F462 AromaticContact CZ2-CE2 3.96Å; W143-F462 HydrophobicContact CZ2-CE2 3.96Å; W143-F462 HydrophobicContact CZ2-CZ 4.34Å; W143-F462 AromaticContact CZ3-CE2 3.9Å; W143-F462 HydrophobicContact CZ3-CE2 3.9Å; W143-F462 HydrophobicContact CZ3-CZ 4.36Å
144	I	98.9	Very high	96.7	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	114.6	167.7	-51.5	-171.1	0	0	0	108	I173 Y175 Q199 F223 G224 G228 I232 L235	I144-I173 HydrophobicContact CD1-CD1 4.25Å; I144-I173 HydrophobicContact CG1-CD1 3.98Å; I144-I173 HydrophobicContact CG1-CG1 4.16Å; I144-Y175 HydrophobicContact CG2-CD1 3.96Å; I144-Y175 HydrophobicContact CG2-CE1 3.49Å; I144-Y175 VanDerWaalsContact CG2-CE1 3.49Å; I144-Q199 HydrophobicContact CD1-CB 4.45Å; I144-Q199 HydrophobicContact CD1-CG 4.28Å; I144-F223 PolarHBondContact N-O 2.78Å; I144-G224 VanDerWaalsContact O-CA 3.28Å; I144-G224 WeakPolarHBondContact O-CA 3.23Å; I144-G228 VanDerWaalsContact O-CA 3.31Å; I144-G228 WeakPolarHBondContact O-CA 3.41Å; I144-I232 HydrophobicContact CB-CD1 4.43Å; I144-I232 HydrophobicContact CD1-CD1 3.66Å; I144-I232 HydrophobicContact CG1-CD1 3.93Å; I144-L235 HydrophobicContact CD1-CD1 3.65Å
145	P	97.7	Very high	96.9	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.013	15%	0.151	C	C	.	.			trans	-68.2	151.5	-177.8	29.9	-36.5	0	0	0	111.8	S153 F157 I173 Y175 G228	P145-S153 WeakPolarHBondContact CB-O 3.39Å; P145-F157 HydrophobicContact CB-CD2 4.18Å; P145-F157 HydrophobicContact CB-CE2 3.63Å; P145-I173 WeakPolarHBondContact CD-O 3.45Å; P145-Y175 HydrophobicContact CG-CE1 4.01Å; P145-Y175 PolarHBondContact O-OH 3.32Å; P145-G228 WeakPolarHBondContact O-CA 3.31Å
146	G	96.8	Very high	96.9	Very high	13 Å²	13	18 Å²	18	13%	0.134	12%	0.117	C	C	.	.			trans	-84.2	-160.3	170.7	0	0	0	0	0	113.5	G225	G146-G225 VanDerWaalsContact CA-O 3.23Å; G146-G225 WeakPolarHBondContact CA-O 3.38Å; G146-G225 PolarHBondContact N-O 3.4Å
147	G	94.7	Very high	96.8	Very high	20 Å²	20	17.5 Å²	17.5	21%	0.206	11%	0.11	C	C	.	.	S	Bend	trans	120.1	26	-179	0	0	0	0	0	114.4	F149 E150 T151	G147-F149 PolarHBondContact O-N 3.16Å; G147-F149 VanDerWaalsContact O-N 3.12Å; G147-E150 PolarHBondContact O-N 3.41Å; G147-E150 VanDerWaalsContact O-N 3.14Å; G147-T151 WeakPolarHBondContact CA-O 3.29Å; G147-T151 PolarHBondContact O-N 3.11Å; G147-T151 PolarHBondContact O-OG1 3.01Å
148	G	93.8	Very high	96.8	Very high	38 Å²	38	13.2 Å²	13.2	39%	0.392	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	23	175.6	0	0	0	0	0	114.3	E150	G148-E150 PolarHBondContact O-N 2.97Å; G148-E150 VanDerWaalsContact O-N 3.07Å
149	F	96.3	Very high	96.7	Very high	12 Å²	12	12.2 Å²	12.2	5%	0.053	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	-2.9	-172.2	-60.4	-66.5	0	0	0	116.4	G147 Y175 L177 G178 F182 F196 A227 I230 S231 L260	G147-F149 PolarHBondContact O-N 3.16Å; G147-F149 VanDerWaalsContact O-N 3.12Å; F149-Y175 AromaticContact CD1-CE2 3.98Å; F149-Y175 HydrophobicContact CD1-CE2 3.98Å; F149-Y175 HydrophobicContact CE1-CE2 4.46Å; F149-L177 CarbonylContact O-C 3.57Å; F149-L177 VanDerWaalsContact O-CA 3.27Å; F149-L177 WeakPolarHBondContact O-CA 3.36Å; F149-L177 VanDerWaalsContact O-CB 3.31Å; F149-L177 WeakPolarHBondContact O-CB 3.48Å; F149-L177 VanDerWaalsContact O-CD2 3.31Å; F149-L177 WeakPolarHBondContact O-CD2 3.29Å; F149-G178 PolarHBondContact O-N 3.38Å; F149-F182 HydrophobicContact CB-CD2 4.27Å; F149-F182 HydrophobicContact CB-CE2 3.56Å; F149-F182 HydrophobicContact CB-CZ 4Å; F149-F182 AromaticContact CD1-CE2 3.75Å; F149-F182 HydrophobicContact CD1-CE2 3.75Å; F149-F182 AromaticContact CD1-CZ 3.41Å; F149-F182 HydrophobicContact CD1-CZ 3.41Å; F149-F182 VanDerWaalsContact CD1-CZ 3.41Å; F149-F182 HydrophobicContact CD2-CZ 4.48Å; F149-F182 AromaticContact CE1-CZ 3.94Å; F149-F182 HydrophobicContact CE1-CZ 3.94Å; F149-F182 AromaticContact CG-CE2 3.83Å; F149-F182 HydrophobicContact CG-CE2 3.83Å; F149-F182 AromaticContact CG-CZ 3.72Å; F149-F182 HydrophobicContact CG-CZ 3.72Å; F149-F196 HydrophobicContact CE1-CE1 4.19Å; F149-F196 HydrophobicContact CE1-CZ 4.37Å; F149-F196 HydrophobicContact CZ-CE1 4.21Å; F149-F196 HydrophobicContact CZ-CZ 4.16Å; F149-A227 HydrophobicContact CD1-CB 4.16Å; F149-A227 HydrophobicContact CD2-CB 3.98Å; F149-A227 HydrophobicContact CE1-CB 4.11Å; F149-A227 HydrophobicContact CE2-CB 3.93Å; F149-A227 HydrophobicContact CG-CB 4.1Å; F149-A227 HydrophobicContact CZ-CB 3.99Å; F149-A227 WeakPolarHBondContact CZ-O 3.38Å; F149-I230 HydrophobicContact CE2-CB 4.21Å; F149-I230 HydrophobicContact CE2-CD1 4.19Å; F149-I230 HydrophobicContact CE2-CG2 3.88Å; F149-I230 HydrophobicContact CZ-CB 3.94Å; F149-I230 HydrophobicContact CZ-CG2 3.74Å; F149-S231 WeakPolarHBondContact CE1-OG 3.41Å; F149-L260 HydrophobicContact CD2-CD2 4.46Å; F149-L260 HydrophobicContact CE2-CD2 3.96Å
150	E	95.2	Very high	96.7	Very high	78 Å²	78	11.5 Å²	11.5	36%	0.364	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-30.9	-179.3	-68.5	-61.4	153.6	0	0	112.7	G147 G148 G178	G147-E150 PolarHBondContact O-N 3.41Å; G147-E150 VanDerWaalsContact O-N 3.14Å; G148-E150 PolarHBondContact O-N 2.97Å; G148-E150 VanDerWaalsContact O-N 3.07Å; E150-G178 WeakPolarHBondContact OE2-CA 3.4Å
151	T	95.5	Very high	96.6	Very high	29 Å²	29	11.5 Å²	11.5	18%	0.178	8%	0.078	C	C	.	.	S	Bend	trans	-135.3	175.5	-179.8	64.3	0	0	0	0	110.8	W100 G147	W100-T151 VanDerWaalsContact CD1-CB 3.5Å; W100-T151 HydrophobicContact CG-CG2 3.99Å; G147-T151 WeakPolarHBondContact CA-O 3.29Å; G147-T151 PolarHBondContact O-N 3.11Å; G147-T151 PolarHBondContact O-OG1 3.01Å
152	G	95.6	Very high	96.6	Very high	8 Å²	8	11.5 Å²	11.5	8%	0.082	8%	0.078	C	C	.	.			trans	119.4	168.8	176.2	0	0	0	0	0	113.3	Q96	Q96-G152 PolarHBondContact NE2-O 3.34Å
153	S	96.6	Very high	96.6	Very high	2 Å²	2	11.5 Å²	11.5	1%	0.014	8%	0.078	C	C	.	.			trans	-164.6	151.8	-178.7	-177	0	0	0	0	111.8	L93 P145 S155 F157 Q174	L93-S153 WeakPolarHBondContact CD1-OG 3.48Å; P145-S153 WeakPolarHBondContact CB-O 3.39Å; S153-S155 PolarHBondContact O-N 3.29Å; S153-S155 WeakPolarHBondContact OG-CB 3.48Å; S153-S155 PolarHBondContact OG-N 2.61Å; S153-F157 WeakPolarHBondContact O-CD2 3.28Å; S153-F157 WeakPolarHBondContact O-CE2 3.44Å; S153-Q174 PolarHBondContact OG-OE1 2.95Å
154	A	95.9	Very high	96.5	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.008	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-63.4	-29.4	164.8	0	0	0	0	0	112.5	I156 F157 S172 Q174	A154-I156 VanDerWaalsContact C-N 3.3Å; A154-I156 PolarHBondContact O-N 2.8Å; A154-F157 PolarHBondContact O-N 2.73Å; A154-S172 WeakPolarHBondContact CB-O 3.24Å; A154-Q174 HydrophobicContact CB-CG 3.72Å
155	S	95.1	Very high	96.5	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-82.2	-1.1	-168	-56.3	0	0	0	0	114.2	Y90 F115 S153 I471	Y90-S155 VanDerWaalsContact CD1-CB 3.5Å; F115-S155 VanDerWaalsContact CZ-O 3.3Å; F115-S155 WeakPolarHBondContact CZ-O 3.28Å; S153-S155 PolarHBondContact O-N 3.29Å; S153-S155 WeakPolarHBondContact OG-CB 3.48Å; S153-S155 PolarHBondContact OG-N 2.61Å; S155-I471 WeakPolarHBondContact O-CD1 3.35Å
156	I	94.6	Very high	96.5	Very high	10 Å²	10	14.9 Å²	14.9	5%	0.051	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-95.9	1.7	172.4	70.4	-179.9	0	0	0	112.8	W100 L101 Y112 F115 A154	W100-I156 HydrophobicContact CH2-CD1 3.75Å; W100-I156 HydrophobicContact CH2-CG2 3.95Å; W100-I156 HydrophobicContact CZ3-CD1 3.89Å; L101-I156 HydrophobicContact CD2-CG2 4.09Å; Y112-I156 HydrophobicContact CD1-CB 4.06Å; Y112-I156 HydrophobicContact CD1-CG2 4.08Å; Y112-I156 HydrophobicContact CE1-CB 3.7Å; Y112-I156 HydrophobicContact CE1-CG2 4.05Å; Y112-I156 HydrophobicContact CG-CG2 4.34Å; F115-I156 HydrophobicContact CE2-CG2 3.91Å; F115-I156 HydrophobicContact CZ-CG2 4.38Å; A154-I156 VanDerWaalsContact C-N 3.3Å; A154-I156 PolarHBondContact O-N 2.8Å
157	F	95.7	Very high	96.5	Very high	22 Å²	22	16.1 Å²	16.1	10%	0.096	10%	0.095	C	C	.	.			trans	-121.6	110.5	-177.8	-60.9	-79.3	0	0	0	109.7	W143 P145 S153 A154 I458 F462 M473	W143-F157 AromaticContact CD1-CD2 3.73Å; W143-F157 AromaticContact CD1-CG 3.89Å; W143-F157 HydrophobicContact CZ2-CD1 4.19Å; W143-F157 AromaticContact CZ2-CE1 3.8Å; W143-F157 HydrophobicContact CZ2-CE1 3.8Å; W143-F157 HydrophobicContact CZ2-CE2 4.28Å; W143-F157 AromaticContact CZ2-CZ 3.84Å; W143-F157 HydrophobicContact CZ2-CZ 3.84Å; W143-F157 AromaticContact NE1-CD1 3.74Å; W143-F157 AromaticContact NE1-CD2 3.07Å; W143-F157 AromaticContact NE1-CE1 3.94Å; W143-F157 AromaticContact NE1-CE2 3.28Å; W143-F157 VanDerWaalsContact NE1-CE2 3.28Å; W143-F157 AromaticContact NE1-CG 3.32Å; W143-F157 VanDerWaalsContact NE1-CG 3.32Å; W143-F157 AromaticContact NE1-CZ 3.73Å; P145-F157 HydrophobicContact CB-CD2 4.18Å; P145-F157 HydrophobicContact CB-CE2 3.63Å; S153-F157 WeakPolarHBondContact O-CD2 3.28Å; S153-F157 WeakPolarHBondContact O-CE2 3.44Å; A154-F157 PolarHBondContact O-N 2.73Å; F157-I458 HydrophobicContact CD1-CG2 4.25Å; F157-I458 HydrophobicContact CE1-CG2 3.8Å; F157-F462 HydrophobicContact CB-CD1 4.31Å; F157-F462 HydrophobicContact CB-CE1 3.81Å; F157-F462 HydrophobicContact CB-CZ 4.04Å; F157-F462 HydrophobicContact CD1-CD2 4.32Å; F157-F462 HydrophobicContact CD1-CE2 4.02Å; F157-F462 HydrophobicContact CD1-CZ 4.12Å; F157-F462 HydrophobicContact CG-CZ 4.29Å; F157-M473 HydrophobicContact CD1-CE 3.68Å; F157-M473 HydrophobicContact CE1-CE 4.21Å
158	D	96.8	Very high	96.7	Very high	6 Å²	6	15.2 Å²	15.2	3%	0.032	9%	0.085	C	C	.	.			trans	-91.5	113.5	175.2	-169.2	-27.3	0	0	0	110.1	H127 S160 L467 S469 I471	H127-D158 IonicContact CD2-OD1 2.93Å; H127-D158 IonicContact NE2-OD1 2.96Å; D158-S160 VanDerWaalsContact C-N 3.26Å; D158-S160 PolarHBondContact O-N 3.18Å; D158-S160 WeakPolarHBondContact OD1-CB 3.24Å; D158-S160 PolarHBondContact OD1-N 3.03Å; D158-S160 PolarHBondContact OD1-OG 2.93Å; D158-L467 HydrophobicContact CB-CD1 3.99Å; D158-L467 HydrophobicContact CB-CD2 3.98Å; D158-S469 WeakPolarHBondContact OD2-CB 3.19Å; D158-S469 PolarHBondContact OD2-OG 2.94Å; D158-I471 HydrophobicContact CB-CB 4.42Å; D158-I471 HydrophobicContact CB-CD1 4.35Å
159	G	97.6	Very high	97	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.067	C	C	.	.			trans	-82.7	1.6	-178.5	0	0	0	0	0	114.3	H127 A161 L162 A163	H127-G159 PolarHBondContact CE1-N 2.75Å; G159-A161 PolarHBondContact O-N 2.89Å; G159-L162 PolarHBondContact O-N 3.11Å; G159-A163 VanDerWaalsContact O-CB 3.32Å; G159-A163 WeakPolarHBondContact O-CB 3.42Å; G159-A163 PolarHBondContact O-N 3Å
160	S	98	Very high	97.1	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.007	6%	0.064	C	C	.	.	H	α-helix	trans	-64.2	-42	-169.5	-59	0	0	0	0	112.9	H127 D158 A163 A164	H127-S160 PolarHBondContact CD2-OG 3.43Å; D158-S160 VanDerWaalsContact C-N 3.26Å; D158-S160 PolarHBondContact O-N 3.18Å; D158-S160 WeakPolarHBondContact OD1-CB 3.24Å; D158-S160 PolarHBondContact OD1-N 3.03Å; D158-S160 PolarHBondContact OD1-OG 2.93Å; S160-A163 PolarHBondContact O-N 3.33Å; S160-A164 VanDerWaalsContact O-CB 3.26Å; S160-A164 WeakPolarHBondContact O-CB 3.28Å; S160-A164 PolarHBondContact O-N 3.06Å
161	A	97.9	Very high	97.3	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-64.8	-51	180	0	0	0	0	0	110.7	G159 A163 A164 Y165 G463 F466 L467	G159-A161 PolarHBondContact O-N 2.89Å; A161-A163 VanDerWaalsContact C-N 3.33Å; A161-A163 PolarHBondContact O-N 3.12Å; A161-A164 PolarHBondContact O-N 3.37Å; A161-Y165 WeakPolarHBondContact O-CB 3.32Å; A161-Y165 VanDerWaalsContact O-CD2 3.3Å; A161-Y165 WeakPolarHBondContact O-CD2 3.42Å; A161-Y165 PolarHBondContact O-N 3.44Å; A161-G463 WeakPolarHBondContact CB-O 3.29Å; A161-F466 HydrophobicContact CB-CB 4.14Å; A161-L467 HydrophobicContact CB-CD2 3.72Å; A161-L467 HydrophobicContact CB-CG 4.33Å
162	L	98.3	Very high	97.4	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-58	-44.3	176.6	-177	58.4	0	0	0	112.1	M141 G159 E166 V168 I170 M489	M141-L162 HydrophobicContact CE-CD2 4.34Å; M141-L162 HydrophobicContact SD-CD2 4.31Å; G159-L162 PolarHBondContact O-N 3.11Å; L162-E166 HydrophobicContact CD1-CB 4.17Å; L162-E166 HydrophobicContact CD1-CG 4.02Å; L162-E166 WeakPolarHBondContact O-CB 3.44Å; L162-E166 PolarHBondContact O-N 3.07Å; L162-V168 HydrophobicContact CG-CG2 4.3Å; L162-I170 HydrophobicContact CB-CD1 4.42Å; L162-I170 HydrophobicContact CB-CG1 4.32Å; L162-I170 HydrophobicContact CD2-CD1 3.53Å; L162-I170 HydrophobicContact CD2-CG1 4.2Å; L162-I170 HydrophobicContact CG-CD1 3.83Å; L162-I170 HydrophobicContact CG-CG1 4.26Å; L162-M489 HydrophobicContact CB-SD 4.3Å; L162-M489 HydrophobicContact CD1-CB 3.7Å; L162-M489 HydrophobicContact CD1-CG 3.76Å; L162-M489 HydrophobicContact CD1-SD 4.11Å
163	A	98.4	Very high	97.6	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-60.9	-46.9	176.4	0	0	0	0	0	112.4	V54 H127 G159 S160 A161 D167 V168 I170	V54-A163 HydrophobicContact CG1-CB 4.39Å; H127-A163 HydrophobicContact CB-CB 4.27Å; G159-A163 VanDerWaalsContact O-CB 3.32Å; G159-A163 WeakPolarHBondContact O-CB 3.42Å; G159-A163 PolarHBondContact O-N 3Å; S160-A163 PolarHBondContact O-N 3.33Å; A161-A163 VanDerWaalsContact C-N 3.33Å; A161-A163 PolarHBondContact O-N 3.12Å; A163-D167 WeakPolarHBondContact O-CA 3.34Å; A163-D167 PolarHBondContact O-N 3.12Å; A163-V168 WeakPolarHBondContact CA-O 3.44Å; A163-V168 WeakPolarHBondContact CB-O 3.1Å; A163-I170 HydrophobicContact CB-CG1 4.25Å
164	A	97.9	Very high	97.7	Very high	2 Å²	2	7.4 Å²	7.4	2%	0.017	4%	0.035	C	C	.	.	H	α-helix	trans	-70	-43.5	-176.5	0	0	0	0	0	113.1	V47 V54 S160 A161	V47-A164 HydrophobicContact CG2-CB 3.52Å; V54-A164 HydrophobicContact CG2-CB 3.7Å; S160-A164 VanDerWaalsContact O-CB 3.26Å; S160-A164 WeakPolarHBondContact O-CB 3.28Å; S160-A164 PolarHBondContact O-N 3.06Å; A161-A164 PolarHBondContact O-N 3.37Å
165	Y	97.8	Very high	97.8	Very high	57 Å²	57	7.7 Å²	7.7	22%	0.224	4%	0.035	C	C	.	.	H	α-helix	trans	-74.4	-39.7	-177.5	-85.4	-95.4	0	0	0	111.8	V47 Q48 G49 A161 F466 M489	V47-Y165 HydrophobicContact CG2-CD2 4.36Å; V47-Y165 HydrophobicContact CG2-CE2 4.08Å; Q48-Y165 PolarHBondContact O-OH 2.94Å; G49-Y165 WeakPolarHBondContact CA-OH 3.31Å; A161-Y165 WeakPolarHBondContact O-CB 3.32Å; A161-Y165 VanDerWaalsContact O-CD2 3.3Å; A161-Y165 WeakPolarHBondContact O-CD2 3.42Å; A161-Y165 PolarHBondContact O-N 3.44Å; Y165-F466 HydrophobicContact CE2-CB 3.84Å; Y165-F466 HydrophobicContact CE2-CD2 4.16Å; Y165-F466 AromaticContact CE2-CG 3.92Å; Y165-F466 HydrophobicContact CE2-CG 3.92Å; Y165-F466 AromaticContact CZ-CG 3.97Å; Y165-M489 HydrophobicContact CD1-CE 4.34Å; Y165-M489 HydrophobicContact CD2-CE 4.35Å; Y165-M489 HydrophobicContact CG-CE 3.99Å
166	E	98.2	Very high	98	Very high	14 Å²	14	8 Å²	8	7%	0.065	4%	0.037	C	C	.	.	H	α-helix	trans	-108.8	3.7	-172	-66.8	-58.3	148.3	0	0	114.7	L162 V168 M489 K490 A493 R497	L162-E166 HydrophobicContact CD1-CB 4.17Å; L162-E166 HydrophobicContact CD1-CG 4.02Å; L162-E166 WeakPolarHBondContact O-CB 3.44Å; L162-E166 PolarHBondContact O-N 3.07Å; E166-V168 VanDerWaalsContact C-N 3.31Å; E166-V168 HydrophobicContact CB-CG2 4.19Å; E166-V168 PolarHBondContact O-N 2.04Å; E166-M489 HydrophobicContact CG-CB 3.94Å; E166-K490 VanDerWaalsContact OE1-CD 3.23Å; E166-K490 WeakPolarHBondContact OE1-CD 3Å; E166-K490 IonicContact OE1-NZ 3.67Å; E166-K490 WeakPolarHBondContact OE2-CD 3.36Å; E166-K490 IonicContact OE2-NZ 3.65Å; E166-K490 PolarHBondContact OE2-NZ 3.33Å; E166-A493 HydrophobicContact CB-CB 3.4Å; E166-A493 VanDerWaalsContact CB-CB 3.4Å; E166-A493 HydrophobicContact CG-CB 3.65Å; E166-R497 PolarHBondContact O-NH2 3.35Å; E166-R497 IonicContact OE2-CZ 4Å; E166-R497 IonicContact OE2-NH1 3.29Å; E166-R497 IonicContact OE2-NH2 3.7Å; E166-R497 PolarHBondContact OE2-NH2 3.37Å
167	D	97.8	Very high	98.2	Very high	39 Å²	39	7.9 Å²	7.9	21%	0.209	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	47.8	170.8	-142.6	-20	0	0	0	112.9	K52 H131 A163	K52-D167 IonicContact NZ-OD2 3.48Å; K52-D167 PolarHBondContact NZ-OD2 3.47Å; H131-D167 IonicContact CE1-OD1 2.84Å; H131-D167 PolarHBondContact CE1-OD1 3.41Å; H131-D167 IonicContact CE1-OD2 3.85Å; H131-D167 IonicContact NE2-OD1 2.81Å; H131-D167 PolarHBondContact NE2-OD1 3.17Å; H131-D167 IonicContact NE2-OD2 2.69Å; A163-D167 WeakPolarHBondContact O-CA 3.34Å; A163-D167 PolarHBondContact O-N 3.12Å
168	V	98.6	Very high	98.2	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.033	C	C	.	.			trans	-131	154	-179.7	-68.7	0	0	0	0	109.4	P129 P139 M141 L162 A163 E166 I170 A493	P129-V168 WeakPolarHBondContact CD-O 3.49Å; P139-V168 HydrophobicContact CB-CG1 4.1Å; P139-V168 HydrophobicContact CG-CG1 4.12Å; M141-V168 HydrophobicContact SD-CG2 4.17Å; L162-V168 HydrophobicContact CG-CG2 4.3Å; A163-V168 WeakPolarHBondContact CA-O 3.44Å; A163-V168 WeakPolarHBondContact CB-O 3.1Å; E166-V168 VanDerWaalsContact C-N 3.31Å; E166-V168 HydrophobicContact CB-CG2 4.19Å; E166-V168 PolarHBondContact O-N 2.04Å; V168-I170 HydrophobicContact CG2-CD1 3.79Å; V168-A493 HydrophobicContact CG1-CB 4.18Å
169	L	98.6	Very high	98.2	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	130.7	169.9	-91	79.1	0	0	0	110	I126 A128 L138 P139 V140 M141 I210 F213	I126-L169 HydrophobicContact CG2-CD2 4.48Å; A128-L169 HydrophobicContact CB-CD1 4.37Å; A128-L169 HydrophobicContact CB-CD2 4.25Å; A128-L169 HydrophobicContact CB-CG 3.91Å; L138-L169 HydrophobicContact CB-CD1 3.64Å; L138-L169 HydrophobicContact CD1-CD1 3.61Å; L138-L169 HydrophobicContact CG-CD1 4.2Å; P139-L169 PolarHBondContact O-N 2.77Å; V140-L169 CarbonylContact C-O 3.6Å; V140-L169 WeakPolarHBondContact CA-O 3.38Å; V140-L169 HydrophobicContact CG2-CB 4.31Å; M141-L169 PolarHBondContact N-O 3.06Å; L169-I210 HydrophobicContact CD2-CD1 3.74Å; L169-I210 HydrophobicContact CD2-CG1 3.91Å; L169-F213 HydrophobicContact CD2-CB 3.75Å
170	I	98.9	Very high	98.3	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.8	172.6	-52	-53.7	0	0	0	109.4	I126 H127 M141 L162 A163 V168	I126-I170 CarbonylContact C-O 3.49Å; I126-I170 WeakPolarHBondContact CA-O 3.37Å; H127-I170 HydrophobicContact CB-CB 4.32Å; H127-I170 PolarHBondContact N-O 3.12Å; H127-I170 PolarHBondContact O-N 3.25Å; M141-I170 HydrophobicContact CB-CD1 3.74Å; M141-I170 HydrophobicContact CG-CD1 4.28Å; M141-I170 CarbonylContact O-C 3.56Å; M141-I170 WeakPolarHBondContact O-CA 3.4Å; M141-I170 HydrophobicContact SD-CD1 4.1Å; L162-I170 HydrophobicContact CB-CD1 4.42Å; L162-I170 HydrophobicContact CB-CG1 4.32Å; L162-I170 HydrophobicContact CD2-CD1 3.53Å; L162-I170 HydrophobicContact CD2-CG1 4.2Å; L162-I170 HydrophobicContact CG-CD1 3.83Å; L162-I170 HydrophobicContact CG-CG1 4.26Å; A163-I170 HydrophobicContact CB-CG1 4.25Å; V168-I170 HydrophobicContact CG2-CD1 3.79Å
171	V	98.9	Very high	98.3	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	120	174.8	-175.9	0	0	0	0	108.8	L124 N125 I126 V140 M141 V142 W143 I173 V206 I210	L124-V171 HydrophobicContact CB-CG1 4.28Å; L124-V171 HydrophobicContact CD1-CG1 4.22Å; L124-V171 HydrophobicContact CD2-CG1 4.36Å; N125-V171 CarbonylContact O-C 3.6Å; N125-V171 VanDerWaalsContact O-CA 3.26Å; N125-V171 WeakPolarHBondContact O-CA 3.33Å; I126-V171 HydrophobicContact CG1-CG1 4.4Å; I126-V171 HydrophobicContact CG1-CG2 4.29Å; V140-V171 HydrophobicContact CG1-CG2 3.97Å; M141-V171 PolarHBondContact O-N 3.15Å; V142-V171 CarbonylContact C-O 3.52Å; V142-V171 VanDerWaalsContact CA-O 3.22Å; V142-V171 WeakPolarHBondContact CA-O 3.43Å; V142-V171 HydrophobicContact CG1-CB 4.41Å; V142-V171 HydrophobicContact CG2-CB 4.23Å; W143-V171 PolarHBondContact N-O 3.38Å; V171-I173 HydrophobicContact CG1-CG2 4.09Å; V171-V206 HydrophobicContact CG1-CG2 4.06Å; V171-I210 HydrophobicContact CG2-CD1 3.66Å
172	S	98.8	Very high	98.2	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.8	176.2	-55.6	0	0	0	0	109.5	L124 N125 A154	L124-S172 CarbonylContact C-O 3.53Å; L124-S172 VanDerWaalsContact CA-O 3.25Å; L124-S172 WeakPolarHBondContact CA-O 3.36Å; L124-S172 WeakPolarHBondContact CB-O 3.49Å; N125-S172 PolarHBondContact N-O 2.8Å; N125-S172 PolarHBondContact O-N 3.39Å; A154-S172 WeakPolarHBondContact CB-O 3.24Å
173	I	98.8	Very high	98.2	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	145.3	-173.5	70.2	167.9	0	0	0	112.3	L124 V142 W143 I144 P145 V171 Q199 A202	L124-I173 HydrophobicContact CB-CB 4.47Å; L124-I173 HydrophobicContact CB-CG2 3.94Å; L124-I173 HydrophobicContact CD2-CG2 4.48Å; V142-I173 HydrophobicContact CG1-CG2 3.86Å; W143-I173 PolarHBondContact O-N 3.36Å; W143-I173 VanDerWaalsContact O-N 3.13Å; I144-I173 HydrophobicContact CD1-CD1 4.25Å; I144-I173 HydrophobicContact CG1-CD1 3.98Å; I144-I173 HydrophobicContact CG1-CG1 4.16Å; P145-I173 WeakPolarHBondContact CD-O 3.45Å; V171-I173 HydrophobicContact CG1-CG2 4.09Å; I173-Q199 HydrophobicContact CD1-CB 4.17Å; I173-Q199 HydrophobicContact CD1-CG 4.09Å; I173-A202 HydrophobicContact CB-CB 4.07Å; I173-A202 HydrophobicContact CD1-CB 3.75Å; I173-A202 HydrophobicContact CG2-CB 3.84Å
174	Q	98.7	Very high	98	Very high	4 Å²	4	7.8 Å²	7.8	2%	0.019	4%	0.037	C	C	.	.			trans	-95.3	158.7	165.4	-59.1	-158.4	139.7	0	0	110.8	F62 N92 C121 Y123 S153 A154	F62-Q174 WeakPolarHBondContact CE1-O 3.39Å; F62-Q174 VanDerWaalsContact CZ-O 3.25Å; F62-Q174 WeakPolarHBondContact CZ-O 3.48Å; N92-Q174 PolarHBondContact O-NE2 3.43Å; C121-Q174 WeakPolarHBondContact O-CB 3.43Å; C121-Q174 PolarHBondContact O-NE2 3.44Å; Y123-Q174 PolarHBondContact O-N 3.08Å; S153-Q174 PolarHBondContact OG-OE1 2.95Å; A154-Q174 HydrophobicContact CB-CG 3.72Å
175	Y	98.8	Very high	97.8	Very high	6 Å²	6	8.5 Å²	8.5	2%	0.024	4%	0.041	C	C	.	.			trans	-149.9	156	174	57.4	-92.7	0	0	0	109.1	C94 I144 P145 F149 L177 A195 Q199	C94-Y175 PolarHBondContact SG-O 3.19Å; I144-Y175 HydrophobicContact CG2-CD1 3.96Å; I144-Y175 HydrophobicContact CG2-CE1 3.49Å; I144-Y175 VanDerWaalsContact CG2-CE1 3.49Å; P145-Y175 HydrophobicContact CG-CE1 4.01Å; P145-Y175 PolarHBondContact O-OH 3.32Å; F149-Y175 AromaticContact CD1-CE2 3.98Å; F149-Y175 HydrophobicContact CD1-CE2 3.98Å; F149-Y175 HydrophobicContact CE1-CE2 4.46Å; Y175-L177 HydrophobicContact CD2-CD2 3.98Å; Y175-L177 HydrophobicContact CE2-CD2 3.44Å; Y175-L177 VanDerWaalsContact CE2-CD2 3.44Å; Y175-A195 HydrophobicContact CD2-CB 3.84Å; Y175-A195 HydrophobicContact CE2-CB 4.49Å; Y175-Q199 HydrophobicContact CD1-CG 4.1Å; Y175-Q199 HydrophobicContact CG-CG 4.11Å
176	R	98.8	Very high	97.4	Very high	8 Å²	8	11.8 Å²	11.8	3%	0.03	6%	0.058	C	C	.	.			trans	-60.7	144.7	179.4	-76.3	172.2	-76.9	-178.8	-2.6	111.8	P66 S73 L122 F180 A195 D198	P66-R176 HydrophobicContact CG-CG 4.21Å; S73-R176 VanDerWaalsContact O-CZ 3.31Å; S73-R176 PolarHBondContact O-NH1 3.23Å; S73-R176 PolarHBondContact O-NH2 3.37Å; L122-R176 HydrophobicContact CD2-CG 4.3Å; R176-F180 HydrophobicContact CB-CB 4.34Å; R176-A195 VanDerWaalsContact O-CB 3.24Å; R176-A195 WeakPolarHBondContact O-CB 3.14Å; R176-D198 VanDerWaalsContact CB-OD2 3.29Å; R176-D198 WeakPolarHBondContact CB-OD2 3.24Å; R176-D198 VanDerWaalsContact CG-OD2 3.3Å; R176-D198 WeakPolarHBondContact CG-OD2 3.31Å; R176-D198 IonicContact CZ-OD1 3.93Å; R176-D198 IonicContact CZ-OD2 2.81Å; R176-D198 PolarHBondContact N-OD2 3.19Å; R176-D198 IonicContact NE-OD1 3.71Å; R176-D198 PolarHBondContact NE-OD1 3.41Å; R176-D198 IonicContact NE-OD2 3.28Å; R176-D198 PolarHBondContact NE-OD2 3.43Å; R176-D198 IonicContact NH2-OD1 2.83Å; R176-D198 PolarHBondContact NH2-OD1 3.03Å; R176-D198 IonicContact NH2-OD2 2.72Å
177	L	98.2	Very high	97.1	Very high	6 Å²	6	13.4 Å²	13.4	3%	0.031	7%	0.067	C	C	.	.			trans	-119.2	160.9	-173.3	-62.4	170.8	0	0	0	111.9	C94 Q96 F149 Y175 I179 F180 G181	C94-L177 HydrophobicContact CB-CD1 4.16Å; C94-L177 HydrophobicContact CB-CG 4.33Å; Q96-L177 HydrophobicContact CB-CD1 4.42Å; Q96-L177 VanDerWaalsContact NE2-CD1 3.28Å; F149-L177 CarbonylContact O-C 3.57Å; F149-L177 VanDerWaalsContact O-CA 3.27Å; F149-L177 WeakPolarHBondContact O-CA 3.36Å; F149-L177 VanDerWaalsContact O-CB 3.31Å; F149-L177 WeakPolarHBondContact O-CB 3.48Å; F149-L177 VanDerWaalsContact O-CD2 3.31Å; F149-L177 WeakPolarHBondContact O-CD2 3.29Å; Y175-L177 HydrophobicContact CD2-CD2 3.98Å; Y175-L177 HydrophobicContact CE2-CD2 3.44Å; Y175-L177 VanDerWaalsContact CE2-CD2 3.44Å; L177-I179 PolarHBondContact O-N 2.7Å; L177-F180 WeakPolarHBondContact O-CB 3.4Å; L177-F180 PolarHBondContact O-N 3.07Å; L177-G181 PolarHBondContact O-N 2.91Å; L177-G181 VanDerWaalsContact O-N 3.09Å
178	G	96.6	Very high	96.9	Very high	3 Å²	3	17.9 Å²	17.9	3%	0.031	9%	0.087	C	C	.	.	H	α-helix	trans	47.4	-134.1	176.6	0	0	0	0	0	112.4	F149 E150 F180 G181 F182	F149-G178 PolarHBondContact O-N 3.38Å; E150-G178 WeakPolarHBondContact OE2-CA 3.4Å; G178-F180 PolarHBondContact O-N 3.41Å; G178-F180 VanDerWaalsContact O-N 3.14Å; G178-G181 PolarHBondContact O-N 3.47Å; G178-F182 WeakPolarHBondContact O-CD2 3.32Å; G178-F182 PolarHBondContact O-N 3.06Å
179	I	97.4	Very high	96.7	Very high	5 Å²	5	20.7 Å²	20.7	3%	0.026	10%	0.1	C	C	.	.	H	α-helix	trans	-55.3	-34.9	178.7	-162.1	168.7	0	0	0	112.9	F72 L177 G181 F183 I274 L300 L303 F310	F72-I179 WeakPolarHBondContact CE1-O 3.38Å; L177-I179 PolarHBondContact O-N 2.7Å; I179-G181 VanDerWaalsContact C-N 3.3Å; I179-G181 PolarHBondContact O-N 3.1Å; I179-F183 HydrophobicContact CG1-CB 3.89Å; I179-F183 HydrophobicContact CG1-CD2 4.41Å; I179-F183 HydrophobicContact CG1-CG 4.47Å; I179-F183 WeakPolarHBondContact O-CB 3.28Å; I179-F183 PolarHBondContact O-N 3.37Å; I179-I274 HydrophobicContact CD1-CD1 4.12Å; I179-L300 HydrophobicContact CD1-CD2 4.49Å; I179-L300 HydrophobicContact CG2-CB 4.07Å; I179-L300 WeakPolarHBondContact CG2-O 3.44Å; I179-L303 HydrophobicContact CD1-CB 4.16Å; I179-F310 HydrophobicContact CD1-CD2 4.49Å; I179-F310 HydrophobicContact CD1-CE2 4.34Å; I179-F310 HydrophobicContact CG1-CD2 4.19Å; I179-F310 HydrophobicContact CG1-CE2 4.45Å
180	F	98.3	Very high	96.5	Very high	10 Å²	10	20.7 Å²	20.7	4%	0.044	10%	0.1	C	C	.	.	H	α-helix	trans	-68.1	-31.9	179.3	-56	-86.7	0	0	0	112.4	F95 E119 R176 L177 G178 S297 L300	F95-F180 HydrophobicContact CB-CD2 4.46Å; F95-F180 HydrophobicContact CB-CE2 3.98Å; F95-F180 HydrophobicContact CB-CZ 4.15Å; F95-F180 AromaticContact CD1-CE2 3.86Å; F95-F180 HydrophobicContact CD1-CE2 3.86Å; F95-F180 AromaticContact CD1-CZ 3.85Å; F95-F180 HydrophobicContact CD1-CZ 3.85Å; F95-F180 HydrophobicContact CG-CE2 4.29Å; F95-F180 HydrophobicContact CG-CZ 4.2Å; E119-F180 VanDerWaalsContact CD-CE1 3.46Å; E119-F180 HydrophobicContact CG-CD1 4.09Å; E119-F180 HydrophobicContact CG-CE1 3.77Å; E119-F180 HydrophobicContact CG-CZ 4.4Å; R176-F180 HydrophobicContact CB-CB 4.34Å; L177-F180 WeakPolarHBondContact O-CB 3.4Å; L177-F180 PolarHBondContact O-N 3.07Å; G178-F180 PolarHBondContact O-N 3.41Å; G178-F180 VanDerWaalsContact O-N 3.14Å; F180-S297 WeakPolarHBondContact CZ-O 3.31Å; F180-L300 HydrophobicContact CD1-CD1 4.17Å; F180-L300 HydrophobicContact CE1-CB 3.96Å; F180-L300 HydrophobicContact CE1-CD1 3.53Å; F180-L300 HydrophobicContact CE1-CG 4.42Å; F180-L300 HydrophobicContact CE2-CB 4.43Å; F180-L300 HydrophobicContact CZ-CB 3.71Å; F180-L300 HydrophobicContact CZ-CD1 4.17Å
181	G	97.9	Very high	96.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-90	-25.6	-178.6	0	0	0	0	0	114.4	L177 G178 I179 W194 A195	L177-G181 PolarHBondContact O-N 2.91Å; L177-G181 VanDerWaalsContact O-N 3.09Å; G178-G181 PolarHBondContact O-N 3.47Å; I179-G181 VanDerWaalsContact C-N 3.3Å; I179-G181 PolarHBondContact O-N 3.1Å; G181-W194 WeakPolarHBondContact O-CA 3.33Å; G181-W194 VanDerWaalsContact O-CB 3.29Å; G181-W194 WeakPolarHBondContact O-CB 3.35Å; G181-W194 PolarHBondContact O-N 3.47Å; G181-A195 PolarHBondContact O-N 3.31Å
182	F	97.1	Very high	96.1	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.009	12%	0.124	C	C	.	.	H	α-helix	trans	-135.4	-3.7	-164.9	-63.7	-81.6	0	0	0	115.9	F149 G178 N184 A195 F196 F310	F149-F182 HydrophobicContact CB-CD2 4.27Å; F149-F182 HydrophobicContact CB-CE2 3.56Å; F149-F182 HydrophobicContact CB-CZ 4Å; F149-F182 AromaticContact CD1-CE2 3.75Å; F149-F182 HydrophobicContact CD1-CE2 3.75Å; F149-F182 AromaticContact CD1-CZ 3.41Å; F149-F182 HydrophobicContact CD1-CZ 3.41Å; F149-F182 VanDerWaalsContact CD1-CZ 3.41Å; F149-F182 HydrophobicContact CD2-CZ 4.48Å; F149-F182 AromaticContact CE1-CZ 3.94Å; F149-F182 HydrophobicContact CE1-CZ 3.94Å; F149-F182 AromaticContact CG-CE2 3.83Å; F149-F182 HydrophobicContact CG-CE2 3.83Å; F149-F182 AromaticContact CG-CZ 3.72Å; F149-F182 HydrophobicContact CG-CZ 3.72Å; G178-F182 WeakPolarHBondContact O-CD2 3.32Å; G178-F182 PolarHBondContact O-N 3.06Å; F182-N184 PolarHBondContact O-N 2.76Å; F182-N184 PolarHBondContact O-ND2 3.34Å; F182-N184 VanDerWaalsContact O-ND2 3.11Å; F182-A195 HydrophobicContact CD2-CB 4.35Å; F182-A195 HydrophobicContact CE1-CB 3.94Å; F182-A195 HydrophobicContact CE2-CB 3.5Å; F182-A195 HydrophobicContact CZ-CB 3.28Å; F182-F196 HydrophobicContact CE1-CD2 4.17Å; F182-F196 AromaticContact CE1-CE2 3.71Å; F182-F196 HydrophobicContact CE1-CE2 3.71Å; F182-F196 HydrophobicContact CE1-CZ 4.09Å; F182-F310 HydrophobicContact CB-CB 4.28Å; F182-F310 VanDerWaalsContact CB-O 3.28Å; F182-F310 WeakPolarHBondContact CB-O 3.5Å
183	F	97.2	Very high	96	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.124	C	C	.	.			trans	-53.8	132.6	174.9	174	-102.1	0	0	0	111.4	F72 I179 T185 A190 W194 M271 I274 L289 L292 F310	F72-F183 HydrophobicContact CB-CD1 4.34Å; F72-F183 HydrophobicContact CD1-CB 3.72Å; F72-F183 AromaticContact CD1-CD1 3.88Å; F72-F183 HydrophobicContact CD1-CD1 3.88Å; F72-F183 HydrophobicContact CD1-CG 4.18Å; F72-F183 HydrophobicContact CD2-CD1 4.24Å; F72-F183 HydrophobicContact CE1-CB 3.71Å; F72-F183 HydrophobicContact CE1-CD1 4.2Å; F72-F183 HydrophobicContact CE1-CG 4.18Å; F72-F183 AromaticContact CG-CD1 3.88Å; F72-F183 HydrophobicContact CG-CD1 3.88Å; F72-F183 HydrophobicContact CZ-CD1 4.5Å; I179-F183 HydrophobicContact CG1-CB 3.89Å; I179-F183 HydrophobicContact CG1-CD2 4.41Å; I179-F183 HydrophobicContact CG1-CG 4.47Å; I179-F183 WeakPolarHBondContact O-CB 3.28Å; I179-F183 PolarHBondContact O-N 3.37Å; F183-T185 HydrophobicContact CE1-CG2 3.99Å; F183-T185 HydrophobicContact CZ-CG2 3.74Å; F183-A190 HydrophobicContact CD1-CB 4.11Å; F183-A190 HydrophobicContact CE1-CB 3.86Å; F183-W194 PolarHBondContact O-NE1 3.48Å; F183-M271 HydrophobicContact CE2-SD 4.35Å; F183-I274 HydrophobicContact CE2-CG1 4.38Å; F183-I274 HydrophobicContact CE2-CG2 4.33Å; F183-L289 HydrophobicContact CE1-CD1 4.39Å; F183-L292 HydrophobicContact CD1-CD1 4.04Å; F183-L292 HydrophobicContact CD2-CD1 3.79Å; F183-L292 HydrophobicContact CE1-CD1 3.67Å; F183-L292 HydrophobicContact CE2-CD1 3.41Å; F183-L292 VanDerWaalsContact CE2-CD1 3.41Å; F183-L292 HydrophobicContact CG-CD1 4.1Å; F183-L292 HydrophobicContact CZ-CD1 3.34Å; F183-F310 HydrophobicContact CD2-CD1 4.29Å; F183-F310 HydrophobicContact CD2-CD2 4.39Å; F183-F310 AromaticContact CD2-CE1 3.8Å; F183-F310 HydrophobicContact CD2-CE1 3.8Å; F183-F310 AromaticContact CD2-CE2 3.91Å; F183-F310 HydrophobicContact CD2-CE2 3.91Å; F183-F310 AromaticContact CD2-CZ 3.6Å; F183-F310 HydrophobicContact CD2-CZ 3.6Å; F183-F310 HydrophobicContact CE2-CE1 4.1Å; F183-F310 HydrophobicContact CE2-CE2 4.46Å; F183-F310 AromaticContact CE2-CZ 3.83Å; F183-F310 HydrophobicContact CE2-CZ 3.83Å
184	N	95.3	Very high	96	Very high	8 Å²	8	27.8 Å²	27.8	4%	0.043	13%	0.127	C	C	.	.			trans	-149.5	154.7	179.7	69.4	89.4	0	0	0	111.2	F182 Q186 A190 V313	F182-N184 PolarHBondContact O-N 2.76Å; F182-N184 PolarHBondContact O-ND2 3.34Å; F182-N184 VanDerWaalsContact O-ND2 3.11Å; N184-Q186 WeakPolarHBondContact OD1-CG 3.47Å; N184-A190 CarbonylContact C-O 3.48Å; N184-A190 WeakPolarHBondContact CA-O 3.28Å; N184-A190 VanDerWaalsContact CB-O 3.3Å; N184-A190 WeakPolarHBondContact CB-O 3.39Å; N184-V313 WeakPolarHBondContact ND2-CG1 3.28Å
185	T	94.3	Very high	96	Very high	17 Å²	17	27.6 Å²	27.6	10%	0.104	13%	0.126	C	C	.	.			trans	-109.9	6.1	178	50.3	0	0	0	0	112.5	F183 D187 A190 M271	F183-T185 HydrophobicContact CE1-CG2 3.99Å; F183-T185 HydrophobicContact CZ-CG2 3.74Å; T185-D187 WeakPolarHBondContact CB-OD1 3.49Å; T185-D187 PolarHBondContact O-N 3.16Å; T185-D187 VanDerWaalsContact O-N 3.13Å; T185-D187 PolarHBondContact OG1-OD1 3.16Å; T185-A190 HydrophobicContact CG2-CB 4.03Å; T185-A190 PolarHBondContact N-O 3.21Å; T185-A190 PolarHBondContact OG1-N 3.1Å; T185-A190 PolarHBondContact OG1-O 3.34Å; T185-M271 HydrophobicContact CG2-CE 4.36Å
186	Q	88.9	Confident	96	Very high	126 Å²	126	27.4 Å²	27.4	59%	0.589	13%	0.125	S	C	*	.	S	Bend	trans	56.6	21.3	-175.4	-53.5	-174.3	33.5	0	0	114.9	N184 Q267	N184-Q186 WeakPolarHBondContact OD1-CG 3.47Å; Q186-Q267 VanDerWaalsContact NE2-CD 3.31Å
187	D	91.6	Very high	96	Very high	47 Å²	47	28.3 Å²	28.3	25%	0.251	13%	0.129	S	C	.	.	S	Bend	trans	-141.2	-168.8	176.6	67.6	19.3	0	0	0	111	T185 H189 R191 S285	T185-D187 WeakPolarHBondContact CB-OD1 3.49Å; T185-D187 PolarHBondContact O-N 3.16Å; T185-D187 VanDerWaalsContact O-N 3.13Å; T185-D187 PolarHBondContact OG1-OD1 3.16Å; D187-H189 PolarHBondContact O-N 2.98Å; D187-H189 WeakPolarHBondContact OD1-CB 3.43Å; D187-H189 IonicContact OD1-CD2 3.49Å; D187-H189 PolarHBondContact OD1-CD2 3.49Å; D187-H189 IonicContact OD1-CG 3.81Å; D187-H189 PolarHBondContact OD1-N 2.93Å; D187-H189 IonicContact OD2-CD2 3.52Å; D187-R191 WeakPolarHBondContact O-CG 3.42Å; D187-S285 WeakPolarHBondContact OD2-CB 3.18Å; D187-S285 PolarHBondContact OD2-OG 3.39Å
188	Q	92.6	Very high	96	Very high	133 Å²	133	28 Å²	28	62%	0.621	13%	0.127	S	C	*	.	S	Bend	trans	-66.5	-17.9	-178.6	65.3	-81.8	-16.7	0	0	115.3
189	H	94.4	Very high	96.1	Very high	59 Å²	59	27.9 Å²	27.9	27%	0.273	13%	0.126	S	C	.	.	S	Bend	trans	-75.5	-43.3	-171.9	-65.3	-75.3	0	0	0	111.6	D187 S285 L289	D187-H189 PolarHBondContact O-N 2.98Å; D187-H189 WeakPolarHBondContact OD1-CB 3.43Å; D187-H189 IonicContact OD1-CD2 3.49Å; D187-H189 PolarHBondContact OD1-CD2 3.49Å; D187-H189 IonicContact OD1-CG 3.81Å; D187-H189 PolarHBondContact OD1-N 2.93Å; D187-H189 IonicContact OD2-CD2 3.52Å; H189-S285 PolarHBondContact CD2-OG 3.47Å; H189-L289 HydrophobicContact CB-CD2 4.24Å; H189-L289 WeakPolarHBondContact O-CD2 3.34Å
190	A	95.3	Very high	96.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.127	C	C	.	.			trans	-140.8	93.9	172.7	0	0	0	0	0	110.3	F183 N184 T185 G192 W194 L289	F183-A190 HydrophobicContact CD1-CB 4.11Å; F183-A190 HydrophobicContact CE1-CB 3.86Å; N184-A190 CarbonylContact C-O 3.48Å; N184-A190 WeakPolarHBondContact CA-O 3.28Å; N184-A190 VanDerWaalsContact CB-O 3.3Å; N184-A190 WeakPolarHBondContact CB-O 3.39Å; T185-A190 HydrophobicContact CG2-CB 4.03Å; T185-A190 PolarHBondContact N-O 3.21Å; T185-A190 PolarHBondContact OG1-N 3.1Å; T185-A190 PolarHBondContact OG1-O 3.34Å; A190-G192 VanDerWaalsContact C-N 3.3Å; A190-G192 PolarHBondContact O-N 2.95Å; A190-W194 HydrophobicContact CB-CZ2 4.02Å; A190-L289 HydrophobicContact CB-CD1 4.33Å
191	R	94	Very high	96.2	Very high	137 Å²	137	28.6 Å²	28.6	52%	0.517	13%	0.133	S	C	.	.			trans	-71.3	-17.4	-177.9	-68.4	-173	-178.9	-177.9	-0.7	115.1	D187 W194 V313	D187-R191 WeakPolarHBondContact O-CG 3.42Å; R191-W194 HydrophobicContact CB-CH2 4.48Å; R191-V313 WeakPolarHBondContact O-CG2 3.43Å
192	G	95.3	Very high	96.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.133	C	C	.	.			trans	85.7	-164.2	-179.2	0	0	0	0	0	114.2	A190 W194	A190-G192 VanDerWaalsContact C-N 3.3Å; A190-G192 PolarHBondContact O-N 2.95Å; G192-W194 PolarHBondContact O-N 3.09Å; G192-W194 VanDerWaalsContact O-N 3.15Å
193	N	97.2	Very high	96.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.132	C	C	.	.			trans	58.7	21.8	178.5	-67.3	-23.2	0	0	0	115.3	A195 F196 Y197 V313	N193-A195 PolarHBondContact O-N 2.78Å; N193-F196 HydrophobicContact CB-CD2 3.81Å; N193-F196 WeakPolarHBondContact O-CB 3.39Å; N193-F196 PolarHBondContact O-N 3.04Å; N193-Y197 HydrophobicContact CB-CD2 4.36Å; N193-Y197 HydrophobicContact CB-CE2 4.22Å; N193-Y197 VanDerWaalsContact O-CD2 3.29Å; N193-Y197 WeakPolarHBondContact O-CD2 3.34Å; N193-Y197 PolarHBondContact O-N 3.09Å; N193-Y197 VanDerWaalsContact O-N 3.15Å; N193-V313 PolarHBondContact ND2-O 3.04Å; N193-V313 PolarHBondContact OD1-N 2.7Å; N193-V313 VanDerWaalsContact OD1-N 3.09Å
194	W	98.3	Very high	96.4	Very high	13 Å²	13	32.3 Å²	32.3	5%	0.049	15%	0.152	C	C	.	.	H	α-helix	trans	-55.6	-38.1	-176.7	-41.4	120.8	0	0	0	112.8	F72 N74 G181 F183 A190 R191 G192 F196 Y197 D198	F72-W194 HydrophobicContact CB-CZ2 4.1Å; F72-W194 WeakPolarHBondContact O-CH2 3.38Å; F72-W194 WeakPolarHBondContact O-CZ2 3.49Å; N74-W194 WeakPolarHBondContact OD1-CZ3 3.3Å; G181-W194 WeakPolarHBondContact O-CA 3.33Å; G181-W194 VanDerWaalsContact O-CB 3.29Å; G181-W194 WeakPolarHBondContact O-CB 3.35Å; G181-W194 PolarHBondContact O-N 3.47Å; F183-W194 PolarHBondContact O-NE1 3.48Å; A190-W194 HydrophobicContact CB-CZ2 4.02Å; R191-W194 HydrophobicContact CB-CH2 4.48Å; G192-W194 PolarHBondContact O-N 3.09Å; G192-W194 VanDerWaalsContact O-N 3.15Å; W194-F196 PolarHBondContact O-N 3.37Å; W194-Y197 PolarHBondContact O-N 2.56Å; W194-D198 PolarHBondContact O-N 3.28Å
195	A	98.4	Very high	96.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.1	-43.9	173.5	0	0	0	0	0	113	Y175 R176 G181 F182 N193 D198 Q199	Y175-A195 HydrophobicContact CD2-CB 3.84Å; Y175-A195 HydrophobicContact CE2-CB 4.49Å; R176-A195 VanDerWaalsContact O-CB 3.24Å; R176-A195 WeakPolarHBondContact O-CB 3.14Å; G181-A195 PolarHBondContact O-N 3.31Å; F182-A195 HydrophobicContact CD2-CB 4.35Å; F182-A195 HydrophobicContact CE1-CB 3.94Å; F182-A195 HydrophobicContact CE2-CB 3.5Å; F182-A195 HydrophobicContact CZ-CB 3.28Å; N193-A195 PolarHBondContact O-N 2.78Å; A195-D198 WeakPolarHBondContact O-CB 3.3Å; A195-D198 PolarHBondContact O-N 3.38Å; A195-Q199 WeakPolarHBondContact O-CG 3.34Å; A195-Q199 PolarHBondContact O-N 3.27Å; A195-Q199 VanDerWaalsContact O-N 3.13Å
196	F	98.7	Very high	96.8	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	15%	0.148	C	C	.	.	H	α-helix	trans	-69.2	-35.9	178.1	-63.7	-55.4	0	0	0	111.8	F149 F182 N193 W194 D198 Q199 L200 R312 F318 F319	F149-F196 HydrophobicContact CE1-CE1 4.19Å; F149-F196 HydrophobicContact CE1-CZ 4.37Å; F149-F196 HydrophobicContact CZ-CE1 4.21Å; F149-F196 HydrophobicContact CZ-CZ 4.16Å; F182-F196 HydrophobicContact CE1-CD2 4.17Å; F182-F196 AromaticContact CE1-CE2 3.71Å; F182-F196 HydrophobicContact CE1-CE2 3.71Å; F182-F196 HydrophobicContact CE1-CZ 4.09Å; N193-F196 HydrophobicContact CB-CD2 3.81Å; N193-F196 WeakPolarHBondContact O-CB 3.39Å; N193-F196 PolarHBondContact O-N 3.04Å; W194-F196 PolarHBondContact O-N 3.37Å; F196-D198 VanDerWaalsContact C-N 3.33Å; F196-Q199 PolarHBondContact O-N 2.77Å; F196-L200 PolarHBondContact O-N 3.42Å; F196-R312 HydrophobicContact CE2-CB 4.11Å; F196-R312 HydrophobicContact CE2-CG 3.95Å; F196-R312 HydrophobicContact CZ-CG 4.46Å; F196-F318 HydrophobicContact CB-CD1 4.28Å; F196-F318 HydrophobicContact CB-CD2 3.9Å; F196-F318 HydrophobicContact CB-CE1 3.99Å; F196-F318 HydrophobicContact CB-CE2 3.58Å; F196-F318 HydrophobicContact CB-CG 4.26Å; F196-F318 HydrophobicContact CB-CZ 3.63Å; F196-F318 HydrophobicContact CD1-CE1 4.37Å; F196-F318 HydrophobicContact CD1-CZ 4.19Å; F196-F318 HydrophobicContact CD2-CD1 4.44Å; F196-F318 HydrophobicContact CD2-CE1 4.27Å; F196-F318 HydrophobicContact CG-CD1 4.44Å; F196-F318 AromaticContact CG-CE1 3.97Å; F196-F318 HydrophobicContact CG-CE1 3.97Å; F196-F318 HydrophobicContact CG-CE2 4.4Å; F196-F318 AromaticContact CG-CZ 3.95Å; F196-F318 HydrophobicContact CG-CZ 3.95Å; F196-F319 AromaticContact CD2-CE2 3.95Å; F196-F319 HydrophobicContact CD2-CE2 3.95Å; F196-F319 AromaticContact CE2-CE2 3.75Å; F196-F319 HydrophobicContact CE2-CE2 3.75Å; F196-F319 HydrophobicContact CE2-CZ 4.34Å; F196-F319 HydrophobicContact CZ-CE2 4.36Å
197	Y	98.8	Very high	97.2	Very high	28 Å²	28	30.2 Å²	30.2	11%	0.11	14%	0.139	C	C	.	.	H	α-helix	trans	-67.1	-33.3	172.6	-74.1	-80.3	0	0	0	112.4	N74 P75 N193 W194 Q199 L200 A201 L240 D315 S317 F318	N74-Y197 WeakPolarHBondContact OD1-CD2 3.45Å; P75-Y197 WeakPolarHBondContact CG-O 3.15Å; N193-Y197 HydrophobicContact CB-CD2 4.36Å; N193-Y197 HydrophobicContact CB-CE2 4.22Å; N193-Y197 VanDerWaalsContact O-CD2 3.29Å; N193-Y197 WeakPolarHBondContact O-CD2 3.34Å; N193-Y197 PolarHBondContact O-N 3.09Å; N193-Y197 VanDerWaalsContact O-N 3.15Å; W194-Y197 PolarHBondContact O-N 2.56Å; Y197-Q199 VanDerWaalsContact C-N 3.34Å; Y197-L200 HydrophobicContact CD1-CD1 4.17Å; Y197-L200 PolarHBondContact O-N 3.46Å; Y197-A201 PolarHBondContact O-N 3.11Å; Y197-L240 HydrophobicContact CE1-CD1 3.69Å; Y197-D315 PolarHBondContact OH-OD2 2.84Å; Y197-S317 PolarHBondContact OH-OG 2.79Å; Y197-F318 HydrophobicContact CE2-CB 4.19Å
198	D	98.9	Very high	97.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62	-43	171.8	-62.3	-24.1	0	0	0	111.4	F62 L122 R176 W194 A195 F196 A201 A202	F62-D198 WeakPolarHBondContact CE2-O 3.36Å; L122-D198 HydrophobicContact CD2-CB 4.05Å; R176-D198 VanDerWaalsContact CB-OD2 3.29Å; R176-D198 WeakPolarHBondContact CB-OD2 3.24Å; R176-D198 VanDerWaalsContact CG-OD2 3.3Å; R176-D198 WeakPolarHBondContact CG-OD2 3.31Å; R176-D198 IonicContact CZ-OD1 3.93Å; R176-D198 IonicContact CZ-OD2 2.81Å; R176-D198 PolarHBondContact N-OD2 3.19Å; R176-D198 IonicContact NE-OD1 3.71Å; R176-D198 PolarHBondContact NE-OD1 3.41Å; R176-D198 IonicContact NE-OD2 3.28Å; R176-D198 PolarHBondContact NE-OD2 3.43Å; R176-D198 IonicContact NH2-OD1 2.83Å; R176-D198 PolarHBondContact NH2-OD1 3.03Å; R176-D198 IonicContact NH2-OD2 2.72Å; W194-D198 PolarHBondContact O-N 3.28Å; A195-D198 WeakPolarHBondContact O-CB 3.3Å; A195-D198 PolarHBondContact O-N 3.38Å; F196-D198 VanDerWaalsContact C-N 3.33Å; D198-A201 WeakPolarHBondContact O-CB 3.49Å; D198-A201 PolarHBondContact O-N 3.19Å; D198-A202 PolarHBondContact O-N 3.33Å
199	Q	98.9	Very high	97.8	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.6	-40.9	176.9	-63.1	163.6	4.7	0	0	111.6	I144 I173 Y175 A195 F196 Y197 A201 A202 L203 S231 L235	I144-Q199 HydrophobicContact CD1-CB 4.45Å; I144-Q199 HydrophobicContact CD1-CG 4.28Å; I173-Q199 HydrophobicContact CD1-CB 4.17Å; I173-Q199 HydrophobicContact CD1-CG 4.09Å; Y175-Q199 HydrophobicContact CD1-CG 4.1Å; Y175-Q199 HydrophobicContact CG-CG 4.11Å; A195-Q199 WeakPolarHBondContact O-CG 3.34Å; A195-Q199 PolarHBondContact O-N 3.27Å; A195-Q199 VanDerWaalsContact O-N 3.13Å; F196-Q199 PolarHBondContact O-N 2.77Å; Y197-Q199 VanDerWaalsContact C-N 3.34Å; Q199-A201 VanDerWaalsContact C-N 3.35Å; Q199-A201 PolarHBondContact O-N 2.88Å; Q199-A202 PolarHBondContact O-N 3.4Å; Q199-L203 WeakPolarHBondContact O-CG 3.36Å; Q199-L203 PolarHBondContact O-N 3.13Å; Q199-S231 PolarHBondContact NE2-OG 2.86Å; Q199-S231 VanDerWaalsContact OE1-CB 3.27Å; Q199-L235 HydrophobicContact CB-CD1 4.38Å
200	L	98.8	Very high	98	Very high	11 Å²	11	23.2 Å²	23.2	6%	0.058	11%	0.105	C	C	.	.	H	α-helix	trans	-59.8	-43.8	171.7	-74.7	173.9	0	0	0	111.9	F196 Y197 A202 L203 L204 L235 L240 L244 F318	F196-L200 PolarHBondContact O-N 3.42Å; Y197-L200 HydrophobicContact CD1-CD1 4.17Å; Y197-L200 PolarHBondContact O-N 3.46Å; L200-A202 VanDerWaalsContact C-N 3.35Å; L200-A202 PolarHBondContact O-N 3.15Å; L200-L203 PolarHBondContact O-N 2.68Å; L200-L204 WeakPolarHBondContact O-CB 3.43Å; L200-L204 WeakPolarHBondContact O-CG 3.16Å; L200-L204 PolarHBondContact O-N 3.26Å; L200-L235 HydrophobicContact CD2-CD2 3.68Å; L200-L235 HydrophobicContact CG-CD2 4.01Å; L200-L240 HydrophobicContact CD1-CB 3.74Å; L200-L240 HydrophobicContact CD1-CD1 4.05Å; L200-L240 HydrophobicContact CD2-CB 4.44Å; L200-L244 HydrophobicContact CD2-CD1 3.84Å; L200-F318 HydrophobicContact CD1-CD2 3.6Å; L200-F318 HydrophobicContact CD1-CE2 3.67Å; L200-F318 HydrophobicContact CD2-CE2 4.44Å; L200-F318 HydrophobicContact CG-CD2 4.38Å; L200-F318 HydrophobicContact CG-CE2 3.95Å
201	A	98.8	Very high	98.2	Very high	19 Å²	19	28 Å²	28	16%	0.157	13%	0.126	C	C	.	.	H	α-helix	trans	-63.1	-40.6	177.7	0	0	0	0	0	112	F62 P75 Y197 D198 Q199 L204 W205	F62-A201 HydrophobicContact CD2-CB 4.17Å; F62-A201 HydrophobicContact CE2-CB 4.25Å; P75-A201 HydrophobicContact CB-CB 4.1Å; P75-A201 HydrophobicContact CG-CB 3.61Å; Y197-A201 PolarHBondContact O-N 3.11Å; D198-A201 WeakPolarHBondContact O-CB 3.49Å; D198-A201 PolarHBondContact O-N 3.19Å; Q199-A201 VanDerWaalsContact C-N 3.35Å; Q199-A201 PolarHBondContact O-N 2.88Å; A201-L204 PolarHBondContact O-N 2.86Å; A201-W205 PolarHBondContact O-N 3.4Å
202	A	98.9	Very high	98.4	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.4	-41.4	174.9	0	0	0	0	0	112	F62 I173 D198 Q199 L200 W205 V206	F62-A202 HydrophobicContact CD1-CB 4.07Å; F62-A202 HydrophobicContact CD2-CB 3.89Å; F62-A202 HydrophobicContact CE1-CB 4.07Å; F62-A202 HydrophobicContact CE2-CB 3.92Å; F62-A202 HydrophobicContact CG-CB 3.98Å; F62-A202 HydrophobicContact CZ-CB 4Å; I173-A202 HydrophobicContact CB-CB 4.07Å; I173-A202 HydrophobicContact CD1-CB 3.75Å; I173-A202 HydrophobicContact CG2-CB 3.84Å; D198-A202 PolarHBondContact O-N 3.33Å; Q199-A202 PolarHBondContact O-N 3.4Å; L200-A202 VanDerWaalsContact C-N 3.35Å; L200-A202 PolarHBondContact O-N 3.15Å; A202-W205 WeakPolarHBondContact O-CB 3.26Å; A202-W205 PolarHBondContact O-N 3.2Å; A202-V206 WeakPolarHBondContact O-CG2 3.33Å; A202-V206 PolarHBondContact O-N 3.15Å
203	L	98.9	Very high	98.5	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.3	-37	176.2	-68.6	174.4	0	0	0	112.7	V142 Q199 L200 W205 V206 K207 I222 L235 L244 F245	V142-L203 HydrophobicContact CB-CD2 4.25Å; V142-L203 HydrophobicContact CG1-CD2 4.03Å; V142-L203 HydrophobicContact CG2-CD2 4.21Å; Q199-L203 WeakPolarHBondContact O-CG 3.36Å; Q199-L203 PolarHBondContact O-N 3.13Å; L200-L203 PolarHBondContact O-N 2.68Å; L203-W205 VanDerWaalsContact C-N 3.33Å; L203-V206 PolarHBondContact O-N 3.25Å; L203-K207 WeakPolarHBondContact O-CB 3.11Å; L203-K207 PolarHBondContact O-N 2.94Å; L203-I222 HydrophobicContact CD1-CG2 4.3Å; L203-I222 HydrophobicContact CD2-CG2 3.59Å; L203-L235 HydrophobicContact CD1-CD1 4.02Å; L203-L235 HydrophobicContact CD1-CD2 4.28Å; L203-L244 HydrophobicContact CB-CB 4.1Å; L203-L244 HydrophobicContact CB-CD1 4.03Å; L203-L244 HydrophobicContact CD1-CB 4.48Å; L203-F245 HydrophobicContact CD1-CD1 4.25Å
204	L	98.6	Very high	98.6	Very high	80 Å²	80	23 Å²	23	42%	0.419	11%	0.108	S	C	.	.	H	α-helix	trans	-61.3	-43.9	170.4	-75.5	166.2	0	0	0	110.9	L200 A201 V206 K207 E208 L244	L200-L204 WeakPolarHBondContact O-CB 3.43Å; L200-L204 WeakPolarHBondContact O-CG 3.16Å; L200-L204 PolarHBondContact O-N 3.26Å; A201-L204 PolarHBondContact O-N 2.86Å; L204-V206 VanDerWaalsContact C-N 3.34Å; L204-V206 PolarHBondContact O-N 3.18Å; L204-K207 WeakPolarHBondContact O-CB 3.35Å; L204-K207 PolarHBondContact O-N 3.09Å; L204-E208 WeakPolarHBondContact O-CG 3.47Å; L204-E208 PolarHBondContact O-N 3.43Å; L204-E208 VanDerWaalsContact O-N 3.07Å; L204-L244 HydrophobicContact CD2-CD1 4.39Å; L204-L244 HydrophobicContact CD2-CD2 3.56Å; L204-L244 HydrophobicContact CG-CD1 4.18Å; L204-L244 HydrophobicContact CG-CD2 4.12Å
205	W	98.7	Very high	98.6	Very high	13 Å²	13	22.5 Å²	22.5	5%	0.049	11%	0.107	C	C	.	.	H	α-helix	trans	-59.3	-45.1	174.7	-174.2	101.7	0	0	0	111.7	T35 I60 F62 L124 I126 A201 A202 L203 E208 N209 F213	T35-W205 HydrophobicContact CG2-CZ2 4.04Å; I60-W205 HydrophobicContact CD1-CH2 4.35Å; I60-W205 HydrophobicContact CG2-CH2 4.28Å; I60-W205 HydrophobicContact CG2-CZ2 3.66Å; F62-W205 HydrophobicContact CB-CB 3.81Å; F62-W205 HydrophobicContact CB-CD2 4.47Å; F62-W205 HydrophobicContact CB-CG 3.76Å; L124-W205 HydrophobicContact CD1-CE3 4.19Å; L124-W205 HydrophobicContact CD1-CH2 4.05Å; L124-W205 HydrophobicContact CD1-CZ3 3.8Å; L124-W205 HydrophobicContact CD2-CD2 3.87Å; L124-W205 HydrophobicContact CD2-CE3 3.49Å; L124-W205 VanDerWaalsContact CD2-CE3 3.49Å; L124-W205 HydrophobicContact CD2-CG 4.37Å; L124-W205 HydrophobicContact CD2-CZ3 3.97Å; L124-W205 HydrophobicContact CG-CE3 4.45Å; I126-W205 HydrophobicContact CD1-CH2 3.71Å; I126-W205 HydrophobicContact CD1-CZ3 3.79Å; A201-W205 PolarHBondContact O-N 3.4Å; A202-W205 WeakPolarHBondContact O-CB 3.26Å; A202-W205 PolarHBondContact O-N 3.2Å; L203-W205 VanDerWaalsContact C-N 3.33Å; W205-E208 PolarHBondContact O-N 3.34Å; W205-N209 HydrophobicContact CD2-CB 4.08Å; W205-N209 HydrophobicContact CE3-CB 4.11Å; W205-N209 HydrophobicContact CH2-CB 3.8Å; W205-N209 HydrophobicContact CZ2-CB 3.77Å; W205-N209 HydrophobicContact CZ3-CB 3.97Å; W205-N209 WeakPolarHBondContact O-CB 3.38Å; W205-N209 PolarHBondContact O-N 2.79Å; W205-N209 PolarHBondContact O-ND2 3.47Å; W205-F213 AromaticContact CH2-CE2 3.74Å; W205-F213 HydrophobicContact CH2-CE2 3.74Å; W205-F213 HydrophobicContact CH2-CZ 4.21Å
206	V	98.8	Very high	98.6	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	11%	0.113	C	C	.	.	H	α-helix	trans	-58.1	-51.5	176.6	167.7	0	0	0	0	110	V140 V142 V171 A202 L203 L204 E208 N209 I210 V220	V140-V206 HydrophobicContact CG1-CG1 4.17Å; V142-V206 HydrophobicContact CG2-CG1 4.22Å; V142-V206 HydrophobicContact CG2-CG2 4.24Å; V171-V206 HydrophobicContact CG1-CG2 4.06Å; A202-V206 WeakPolarHBondContact O-CG2 3.33Å; A202-V206 PolarHBondContact O-N 3.15Å; L203-V206 PolarHBondContact O-N 3.25Å; L204-V206 VanDerWaalsContact C-N 3.34Å; L204-V206 PolarHBondContact O-N 3.18Å; V206-E208 PolarHBondContact O-N 2.96Å; V206-E208 VanDerWaalsContact O-N 3.14Å; V206-N209 PolarHBondContact O-N 3.4Å; V206-I210 HydrophobicContact CG1-CB 3.95Å; V206-I210 HydrophobicContact CG1-CG1 4.28Å; V206-I210 HydrophobicContact CG1-CG2 4.03Å; V206-I210 WeakPolarHBondContact O-CB 3.4Å; V206-I210 WeakPolarHBondContact O-CG2 3.44Å; V206-I210 PolarHBondContact O-N 2.89Å; V206-V220 HydrophobicContact CG1-CG2 4.21Å
207	K	98.4	Very high	98.6	Very high	93 Å²	93	25 Å²	25	40%	0.404	12%	0.121	S	C	.	.	H	α-helix	trans	-53.5	-37.3	178.1	-179.5	171.2	-176.9	165.4	0	112.7	L203 L204 P217 G243 L244	L203-K207 WeakPolarHBondContact O-CB 3.11Å; L203-K207 PolarHBondContact O-N 2.94Å; L204-K207 WeakPolarHBondContact O-CB 3.35Å; L204-K207 PolarHBondContact O-N 3.09Å; K207-P217 WeakPolarHBondContact O-CB 3.38Å; K207-G243 PolarHBondContact NZ-O 3.01Å; K207-L244 HydrophobicContact CD-CD2 3.79Å
208	E	97.8	Very high	98.5	Very high	88 Å²	88	29.2 Å²	29.2	41%	0.411	15%	0.146	S	C	.	.	H	α-helix	trans	-86.3	-25.5	-175.7	-71.6	-168.7	-160.3	0	0	115.2	K36 L204 W205 V206	K36-E208 HydrophobicContact CD-CB 4.27Å; K36-E208 WeakPolarHBondContact CE-O 3.19Å; K36-E208 IonicContact NZ-OE2 3.33Å; K36-E208 PolarHBondContact NZ-OE2 2.94Å; L204-E208 WeakPolarHBondContact O-CG 3.47Å; L204-E208 PolarHBondContact O-N 3.43Å; L204-E208 VanDerWaalsContact O-N 3.07Å; W205-E208 PolarHBondContact O-N 3.34Å; V206-E208 PolarHBondContact O-N 2.96Å; V206-E208 VanDerWaalsContact O-N 3.14Å
209	N	98.5	Very high	98.5	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.016	15%	0.15	C	C	.	.	H	α-helix	trans	-123	-23.7	-167.1	-64	-80	0	0	0	114.5	K36 W205 V206 K211 F212	K36-N209 PolarHBondContact N-OD1 2.85Å; W205-N209 HydrophobicContact CD2-CB 4.08Å; W205-N209 HydrophobicContact CE3-CB 4.11Å; W205-N209 HydrophobicContact CH2-CB 3.8Å; W205-N209 HydrophobicContact CZ2-CB 3.77Å; W205-N209 HydrophobicContact CZ3-CB 3.97Å; W205-N209 WeakPolarHBondContact O-CB 3.38Å; W205-N209 PolarHBondContact O-N 2.79Å; W205-N209 PolarHBondContact O-ND2 3.47Å; V206-N209 PolarHBondContact O-N 3.4Å; N209-K211 PolarHBondContact O-N 2.87Å; N209-K211 VanDerWaalsContact O-N 3.07Å; N209-F212 HydrophobicContact CB-CD2 4.49Å; N209-F212 WeakPolarHBondContact O-CB 3.37Å; N209-F212 VanDerWaalsContact O-CD2 3.28Å; N209-F212 WeakPolarHBondContact O-CD2 3.36Å; N209-F212 PolarHBondContact O-N 3.26Å
210	I	98.6	Very high	98.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-63.9	-24.8	-167.8	-158	61.6	0	0	0	113.6	I126 V140 L169 V171 V206 F212 F213 G214 G215 P217	I126-I210 HydrophobicContact CD1-CD1 4.17Å; I126-I210 HydrophobicContact CG2-CD1 4.5Å; V140-I210 HydrophobicContact CB-CG1 4.48Å; V140-I210 HydrophobicContact CG1-CD1 4.45Å; V140-I210 HydrophobicContact CG1-CG1 3.94Å; V140-I210 HydrophobicContact CG2-CG1 3.67Å; V140-I210 HydrophobicContact CG2-CG2 4.04Å; L169-I210 HydrophobicContact CD2-CD1 3.74Å; L169-I210 HydrophobicContact CD2-CG1 3.91Å; V171-I210 HydrophobicContact CG2-CD1 3.66Å; V206-I210 HydrophobicContact CG1-CB 3.95Å; V206-I210 HydrophobicContact CG1-CG1 4.28Å; V206-I210 HydrophobicContact CG1-CG2 4.03Å; V206-I210 WeakPolarHBondContact O-CB 3.4Å; V206-I210 WeakPolarHBondContact O-CG2 3.44Å; V206-I210 PolarHBondContact O-N 2.89Å; I210-F212 PolarHBondContact O-N 3.03Å; I210-F213 HydrophobicContact CD1-CB 4.34Å; I210-F213 WeakPolarHBondContact O-CA 3.21Å; I210-F213 PolarHBondContact O-N 3.04Å; I210-G214 PolarHBondContact O-N 2.69Å; I210-G215 PolarHBondContact O-N 3.43Å; I210-P217 HydrophobicContact CG2-CB 4.14Å
211	K	98.4	Very high	98.5	Very high	102 Å²	102	29.3 Å²	29.3	44%	0.443	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-55.4	-34.8	172.3	71	176.4	-174.3	173.4	0	113.3	N134 N209 F213 G214 G215	N134-K211 WeakPolarHBondContact CA-O 3.19Å; N209-K211 PolarHBondContact O-N 2.87Å; N209-K211 VanDerWaalsContact O-N 3.07Å; K211-F213 PolarHBondContact O-N 2.99Å; K211-G214 PolarHBondContact O-N 2.95Å; K211-G215 WeakPolarHBondContact CA-O 3.31Å; K211-G215 PolarHBondContact N-O 3.3Å
212	F	97.9	Very high	98.5	Very high	32 Å²	32	28.4 Å²	28.4	14%	0.14	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-71.8	-18.2	179.6	-57.7	-62.4	0	0	0	112	R33 Y34 K36 N134 N209 I210 G214	R33-F212 VanDerWaalsContact CD-O 3.22Å; R33-F212 WeakPolarHBondContact CD-O 3.35Å; Y34-F212 HydrophobicContact CD1-CD1 4.33Å; Y34-F212 HydrophobicContact CD1-CE1 4.1Å; Y34-F212 HydrophobicContact CD1-CE2 4.34Å; Y34-F212 HydrophobicContact CD1-CZ 4.1Å; Y34-F212 HydrophobicContact CE1-CZ 4.27Å; Y34-F212 WeakPolarHBondContact O-CB 3.21Å; Y34-F212 WeakPolarHBondContact O-CD2 3.32Å; Y34-F212 VanDerWaalsContact O-CG 3.31Å; Y34-F212 WeakPolarHBondContact O-CG 3.5Å; K36-F212 HydrophobicContact CG-CE2 4.21Å; N134-F212 WeakPolarHBondContact OD1-CA 3.2Å; N134-F212 PolarHBondContact OD1-O 3.15Å; N209-F212 HydrophobicContact CB-CD2 4.49Å; N209-F212 WeakPolarHBondContact O-CB 3.37Å; N209-F212 VanDerWaalsContact O-CD2 3.28Å; N209-F212 WeakPolarHBondContact O-CD2 3.36Å; N209-F212 PolarHBondContact O-N 3.26Å; I210-F212 PolarHBondContact O-N 3.03Å; F212-G214 VanDerWaalsContact C-N 3.35Å
213	F	98.3	Very high	98.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-93.1	0.4	172.6	-61	-96.3	0	0	0	112	R33 T35 V40 F57 I60 I126 L169 W205 I210 K211	R33-F213 HydrophobicContact CB-CD1 4.02Å; R33-F213 HydrophobicContact CB-CE1 3.67Å; R33-F213 HydrophobicContact CB-CZ 4.02Å; R33-F213 HydrophobicContact CG-CD1 3.84Å; R33-F213 HydrophobicContact CG-CE1 3.95Å; T35-F213 HydrophobicContact CG2-CE2 3.87Å; T35-F213 HydrophobicContact CG2-CZ 3.83Å; V40-F213 HydrophobicContact CG2-CE1 4.06Å; V40-F213 HydrophobicContact CG2-CZ 3.9Å; F57-F213 HydrophobicContact CB-CE1 4.42Å; F57-F213 AromaticContact CD1-CE1 3.98Å; F57-F213 HydrophobicContact CD1-CE1 3.98Å; F57-F213 AromaticContact CD2-CD1 3.81Å; F57-F213 HydrophobicContact CD2-CD1 3.81Å; F57-F213 AromaticContact CD2-CE1 3.76Å; F57-F213 HydrophobicContact CD2-CE1 3.76Å; F57-F213 HydrophobicContact CE1-CE1 4.15Å; F57-F213 AromaticContact CE2-CD1 3.76Å; F57-F213 HydrophobicContact CE2-CD1 3.76Å; F57-F213 AromaticContact CE2-CE1 3.96Å; F57-F213 HydrophobicContact CE2-CE1 3.96Å; F57-F213 HydrophobicContact CG-CD1 4.32Å; F57-F213 AromaticContact CG-CE1 3.79Å; F57-F213 HydrophobicContact CG-CE1 3.79Å; F57-F213 HydrophobicContact CZ-CD1 4.21Å; F57-F213 HydrophobicContact CZ-CE1 4.16Å; I60-F213 HydrophobicContact CD1-CE1 4.14Å; I60-F213 HydrophobicContact CD1-CZ 3.85Å; I126-F213 HydrophobicContact CD1-CD1 3.92Å; I126-F213 HydrophobicContact CD1-CD2 3.96Å; I126-F213 HydrophobicContact CD1-CE1 3.83Å; I126-F213 HydrophobicContact CD1-CE2 3.88Å; I126-F213 HydrophobicContact CD1-CG 4Å; I126-F213 HydrophobicContact CD1-CZ 3.82Å; I126-F213 HydrophobicContact CG2-CB 4.47Å; I126-F213 HydrophobicContact CG2-CD1 4.15Å; I126-F213 HydrophobicContact CG2-CG 4.39Å; L169-F213 HydrophobicContact CD2-CB 3.75Å; W205-F213 AromaticContact CH2-CE2 3.74Å; W205-F213 HydrophobicContact CH2-CE2 3.74Å; W205-F213 HydrophobicContact CH2-CZ 4.21Å; I210-F213 HydrophobicContact CD1-CB 4.34Å; I210-F213 WeakPolarHBondContact O-CA 3.21Å; I210-F213 PolarHBondContact O-N 3.04Å; K211-F213 PolarHBondContact O-N 2.99Å
214	G	98.3	Very high	98.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.4	11	-177.5	0	0	0	0	0	115.7	N133 N137 L138 I210 K211 F212	N133-G214 WeakPolarHBondContact O-CA 3.34Å; N137-G214 PolarHBondContact N-O 2.82Å; L138-G214 PolarHBondContact N-O 3.41Å; I210-G214 PolarHBondContact O-N 2.69Å; K211-G214 PolarHBondContact O-N 2.95Å; F212-G214 VanDerWaalsContact C-N 3.35Å
215	G	98.6	Very high	98.5	Very high	2 Å²	2	24.6 Å²	24.6	2%	0.021	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	152.9	174.3	0	0	0	0	0	113.6	L138 I210 K211 P217	L138-G215 CarbonylContact O-C 3.56Å; L138-G215 WeakPolarHBondContact O-CA 3.32Å; I210-G215 PolarHBondContact O-N 3.43Å; K211-G215 WeakPolarHBondContact CA-O 3.31Å; K211-G215 PolarHBondContact N-O 3.3Å; G215-P217 WeakPolarHBondContact O-CD 3.27Å
216	N	98.7	Very high	98.4	Very high	26 Å²	26	24.9 Å²	24.9	14%	0.139	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	110.9	175	-174.7	-9	0	0	0	110.5	N137 L138 D218 S219	N137-N216 PolarHBondContact ND2-ND2 2.95Å; N137-N216 WeakPolarHBondContact OD1-CB 3.41Å; N137-N216 PolarHBondContact OD1-ND2 3.42Å; N137-N216 PolarHBondContact OD1-OD1 3.03Å; L138-N216 WeakPolarHBondContact O-CB 3.34Å; L138-N216 PolarHBondContact O-N 3.04Å; N216-D218 PolarHBondContact O-N 3.17Å; N216-D218 WeakPolarHBondContact OD1-CA 3.14Å; N216-D218 WeakPolarHBondContact OD1-CB 3.3Å; N216-D218 PolarHBondContact OD1-N 2.97Å; N216-S219 CarbonylContact O-C 2.87Å; N216-S219 PolarHBondContact O-N 3.24Å
217	P	98.4	Very high	98.4	Very high	27 Å²	27	24.9 Å²	24.9	18%	0.175	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	-17.9	176.9	29.1	-35.3	0	0	0	113.3	K207 I210 G215 V220 H246	K207-P217 WeakPolarHBondContact O-CB 3.38Å; I210-P217 HydrophobicContact CG2-CB 4.14Å; G215-P217 WeakPolarHBondContact O-CD 3.27Å; P217-V220 WeakPolarHBondContact O-CG2 3.5Å; P217-H246 PolarHBondContact O-CE1 3.45Å
218	D	98.3	Very high	98.4	Very high	117 Å²	117	20.5 Å²	20.5	63%	0.626	11%	0.105	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	6.2	176.5	-57.8	-44.2	0	0	0	112.7	N216 H246	N216-D218 PolarHBondContact O-N 3.17Å; N216-D218 WeakPolarHBondContact OD1-CA 3.14Å; N216-D218 WeakPolarHBondContact OD1-CB 3.3Å; N216-D218 PolarHBondContact OD1-N 2.97Å; D218-H246 VanDerWaalsContact CA-CE1 3.44Å; D218-H246 WeakPolarHBondContact CA-CE1 3.27Å; D218-H246 PolarHBondContact O-CD2 3.16Å; D218-H246 VanDerWaalsContact O-CD2 3.28Å; D218-H246 PolarHBondContact O-CE1 3.42Å; D218-H246 PolarHBondContact O-NE2 2.82Å
219	S	98.6	Very high	98.5	Very high	12 Å²	12	16.3 Å²	16.3	8%	0.084	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	60.9	172.8	-170.3	0	0	0	0	111.7	V140 N216 R247 A496	V140-S219 PolarHBondContact N-O 3.47Å; N216-S219 CarbonylContact O-C 2.87Å; N216-S219 PolarHBondContact O-N 3.24Å; S219-R247 PolarHBondContact OG-NH1 3.15Å; S219-A496 PolarHBondContact OG-O 3.41Å
220	V	98.9	Very high	98.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	126	177.3	178.6	0	0	0	0	110.8	V140 V142 V206 P217 I222 F245 H246 R247	V140-V220 HydrophobicContact CB-CG2 4.16Å; V140-V220 CarbonylContact O-C 3.58Å; V140-V220 WeakPolarHBondContact O-CA 3.29Å; V142-V220 HydrophobicContact CG2-CG1 3.83Å; V206-V220 HydrophobicContact CG1-CG2 4.21Å; P217-V220 WeakPolarHBondContact O-CG2 3.5Å; V220-I222 HydrophobicContact CG1-CG2 4.38Å; V220-F245 HydrophobicContact CB-CB 4.38Å; V220-F245 HydrophobicContact CG1-CB 4.06Å; V220-H246 PolarHBondContact N-ND1 3.42Å; V220-H246 PolarHBondContact O-N 2.94Å; V220-R247 PolarHBondContact O-N 2.87Å
221	T	98.9	Very high	98.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.6	170.3	-55.7	0	0	0	0	108.3	V140 M141 V142 R247 I249 F495 A496	V140-T221 PolarHBondContact O-N 2.85Å; M141-T221 CarbonylContact C-O 3.58Å; M141-T221 VanDerWaalsContact CA-O 3.26Å; M141-T221 WeakPolarHBondContact CA-O 3.24Å; V142-T221 PolarHBondContact N-O 3.34Å; T221-R247 WeakPolarHBondContact CA-O 3.44Å; T221-R247 HydrophobicContact CG2-CB 3.92Å; T221-I249 HydrophobicContact CG2-CD1 4.08Å; T221-I249 HydrophobicContact CG2-CG1 4.02Å; T221-F495 HydrophobicContact CG2-CD1 4.3Å; T221-F495 HydrophobicContact CG2-CE1 4.3Å; T221-A496 VanDerWaalsContact OG1-CA 3.25Å; T221-A496 WeakPolarHBondContact OG1-CA 3.3Å; T221-A496 WeakPolarHBondContact OG1-CB 3.5Å
222	I	98.9	Very high	98.5	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	134.2	171.9	58.8	165.8	0	0	0	108.4	V142 L203 V220 I232 L235 F245 R247 A248 I249	V142-I222 HydrophobicContact CB-CG2 4.26Å; V142-I222 WeakPolarHBondContact O-CA 3.31Å; L203-I222 HydrophobicContact CD1-CG2 4.3Å; L203-I222 HydrophobicContact CD2-CG2 3.59Å; V220-I222 HydrophobicContact CG1-CG2 4.38Å; I222-I232 HydrophobicContact CB-CD1 3.48Å; I222-I232 VanDerWaalsContact CB-CD1 3.48Å; I222-I232 HydrophobicContact CD1-CB 4.44Å; I222-I232 HydrophobicContact CD1-CD1 3.75Å; I222-I232 HydrophobicContact CD1-CG2 3.87Å; I222-I232 HydrophobicContact CG1-CD1 3.71Å; I222-I232 HydrophobicContact CG1-CG2 3.95Å; I222-L235 HydrophobicContact CD1-CB 4.05Å; I222-L235 HydrophobicContact CD1-CD1 4.12Å; I222-F245 HydrophobicContact CD1-CD1 3.63Å; I222-F245 HydrophobicContact CD1-CD2 3.89Å; I222-F245 HydrophobicContact CD1-CE1 3.59Å; I222-F245 HydrophobicContact CD1-CE2 3.89Å; I222-F245 HydrophobicContact CD1-CG 3.78Å; I222-F245 HydrophobicContact CD1-CZ 3.75Å; I222-F245 HydrophobicContact CG1-CB 4.28Å; I222-F245 HydrophobicContact CG1-CD1 4.18Å; I222-F245 HydrophobicContact CG1-CD2 3.89Å; I222-F245 HydrophobicContact CG1-CE2 4.31Å; I222-F245 HydrophobicContact CG1-CG 3.84Å; I222-F245 HydrophobicContact CG2-CB 3.72Å; I222-F245 HydrophobicContact CG2-CD1 4.14Å; I222-F245 HydrophobicContact CG2-CG 3.99Å; I222-R247 PolarHBondContact N-O 3.36Å; I222-A248 HydrophobicContact CG1-CB 4.33Å; I222-A248 CarbonylContact O-C 3.56Å; I222-A248 WeakPolarHBondContact O-CA 3.39Å; I222-I249 PolarHBondContact O-N 3.39Å
223	F	98.9	Very high	98.5	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	153.2	179	75.7	-54.1	0	0	0	111.5	M141 V142 W143 I144 I249 V461 F462	M141-F223 HydrophobicContact CB-CD1 4.08Å; M141-F223 HydrophobicContact CB-CE1 3.77Å; M141-F223 HydrophobicContact CE-CD1 4.31Å; M141-F223 HydrophobicContact CE-CD2 4.28Å; M141-F223 HydrophobicContact CE-CE1 4.32Å; M141-F223 HydrophobicContact CE-CE2 4.29Å; M141-F223 HydrophobicContact CE-CG 4.31Å; M141-F223 HydrophobicContact CE-CZ 4.33Å; V142-F223 WeakPolarHBondContact O-CD1 3.27Å; V142-F223 PolarHBondContact O-N 3.18Å; W143-F223 CarbonylContact C-O 3.52Å; W143-F223 VanDerWaalsContact CA-O 3.28Å; W143-F223 WeakPolarHBondContact CA-O 3.31Å; W143-F223 HydrophobicContact CB-CD1 4.21Å; W143-F223 HydrophobicContact CB-CE1 3.55Å; W143-F223 HydrophobicContact CB-CZ 3.8Å; W143-F223 HydrophobicContact CD2-CE2 4.31Å; W143-F223 HydrophobicContact CD2-CZ 4.28Å; W143-F223 HydrophobicContact CE3-CD1 4.08Å; W143-F223 AromaticContact CE3-CD2 3.41Å; W143-F223 HydrophobicContact CE3-CD2 3.41Å; W143-F223 VanDerWaalsContact CE3-CD2 3.41Å; W143-F223 HydrophobicContact CE3-CE1 4.06Å; W143-F223 AromaticContact CE3-CE2 3.38Å; W143-F223 HydrophobicContact CE3-CE2 3.38Å; W143-F223 AromaticContact CE3-CG 3.75Å; W143-F223 HydrophobicContact CE3-CG 3.75Å; W143-F223 AromaticContact CE3-CZ 3.71Å; W143-F223 HydrophobicContact CE3-CZ 3.71Å; W143-F223 HydrophobicContact CG-CE1 4.45Å; W143-F223 HydrophobicContact CG-CZ 4.36Å; W143-F223 AromaticContact CZ3-CD2 3.65Å; W143-F223 HydrophobicContact CZ3-CD2 3.65Å; W143-F223 AromaticContact CZ3-CE2 3.83Å; W143-F223 HydrophobicContact CZ3-CE2 3.83Å; W143-F223 HydrophobicContact CZ3-CG 4.27Å; I144-F223 PolarHBondContact N-O 2.78Å; F223-I249 WeakPolarHBondContact CA-O 3.23Å; F223-I249 HydrophobicContact CB-CB 3.66Å; F223-I249 HydrophobicContact CB-CD1 4.23Å; F223-I249 HydrophobicContact CB-CG1 4.23Å; F223-I249 HydrophobicContact CB-CG2 4.42Å; F223-V461 HydrophobicContact CD2-CG1 4.45Å; F223-V461 HydrophobicContact CE2-CG1 4.05Å; F223-F462 HydrophobicContact CE2-CE2 4.01Å; F223-F462 AromaticContact CE2-CZ 3.97Å; F223-F462 HydrophobicContact CE2-CZ 3.97Å; F223-F462 HydrophobicContact CZ-CE1 4.41Å; F223-F462 HydrophobicContact CZ-CE2 4.34Å; F223-F462 AromaticContact CZ-CZ 3.83Å; F223-F462 HydrophobicContact CZ-CZ 3.83Å
224	G	98.7	Very high	98.5	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170	154.3	-174.5	0	0	0	0	0	111.3	I144 A229 I249 E251	I144-G224 VanDerWaalsContact O-CA 3.28Å; I144-G224 WeakPolarHBondContact O-CA 3.23Å; G224-A229 VanDerWaalsContact O-CB 3.27Å; G224-A229 WeakPolarHBondContact O-CB 3.35Å; G224-I249 PolarHBondContact N-O 2.84Å; G224-E251 WeakPolarHBondContact O-CB 3.34Å; G224-E251 PolarHBondContact O-N 2.63Å
225	G	97.6	Very high	98.6	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.01	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	143.7	174.5	0	0	0	0	0	112	G146 A227 G228 E251	G146-G225 VanDerWaalsContact CA-O 3.23Å; G146-G225 WeakPolarHBondContact CA-O 3.38Å; G146-G225 PolarHBondContact N-O 3.4Å; G225-A227 PolarHBondContact O-N 3.09Å; G225-G228 WeakPolarHBondContact O-CA 3.32Å; G225-G228 PolarHBondContact O-N 2.83Å; G225-E251 CarbonylContact C-O 3.59Å; G225-E251 VanDerWaalsContact CA-O 3.25Å; G225-E251 WeakPolarHBondContact CA-O 3.28Å
226	S	97.8	Very high	98.5	Very high	19 Å²	19	10.5 Å²	10.5	13%	0.133	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	-126.2	175.4	-168.5	0	0	0	0	112.2	G228 A229 I230 E251 S252 H454	S226-G228 PolarHBondContact O-N 2.92Å; S226-G228 VanDerWaalsContact O-N 3.11Å; S226-A229 WeakPolarHBondContact O-CA 3.36Å; S226-A229 VanDerWaalsContact O-CB 3.29Å; S226-A229 WeakPolarHBondContact O-CB 3.46Å; S226-A229 PolarHBondContact O-N 3.37Å; S226-I230 WeakPolarHBondContact O-CG1 3.43Å; S226-I230 PolarHBondContact O-N 3.34Å; S226-E251 PolarHBondContact N-O 2.78Å; S226-S252 WeakPolarHBondContact CA-O 3.18Å; S226-H454 WeakPolarHBondContact CB-NE2 3.41Å; S226-H454 PolarHBondContact OG-NE2 2.88Å
227	A	97.9	Very high	98.5	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.008	6%	0.055	C	C	.	.	H	α-helix	trans	-55	-25.7	172.3	0	0	0	0	0	114.2	F149 G225 S231	F149-A227 HydrophobicContact CD1-CB 4.16Å; F149-A227 HydrophobicContact CD2-CB 3.98Å; F149-A227 HydrophobicContact CE1-CB 4.11Å; F149-A227 HydrophobicContact CE2-CB 3.93Å; F149-A227 HydrophobicContact CG-CB 4.1Å; F149-A227 HydrophobicContact CZ-CB 3.99Å; F149-A227 WeakPolarHBondContact CZ-O 3.38Å; G225-A227 PolarHBondContact O-N 3.09Å; A227-S231 PolarHBondContact O-N 3.34Å; A227-S231 PolarHBondContact O-OG 3.44Å
228	G	98.6	Very high	98.4	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.9	-49.2	168.8	0	0	0	0	0	111	I144 P145 G225 S226 I230 S231 I232	I144-G228 VanDerWaalsContact O-CA 3.31Å; I144-G228 WeakPolarHBondContact O-CA 3.41Å; P145-G228 WeakPolarHBondContact O-CA 3.31Å; G225-G228 WeakPolarHBondContact O-CA 3.32Å; G225-G228 PolarHBondContact O-N 2.83Å; S226-G228 PolarHBondContact O-N 2.92Å; S226-G228 VanDerWaalsContact O-N 3.11Å; G228-I230 VanDerWaalsContact C-N 3.33Å; G228-I230 PolarHBondContact O-N 3.08Å; G228-S231 CarbonylContact O-C 3.54Å; G228-S231 WeakPolarHBondContact O-CA 3.27Å; G228-S231 WeakPolarHBondContact O-CB 3.31Å; G228-S231 PolarHBondContact O-N 2.93Å; G228-I232 WeakPolarHBondContact O-CG1 3.27Å; G228-I232 PolarHBondContact O-N 2.89Å
229	A	98.8	Very high	98.3	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-62.5	-37.1	175	0	0	0	0	0	112.8	G224 S226 S231 I232 S233 M250 E251 G253	G224-A229 VanDerWaalsContact O-CB 3.27Å; G224-A229 WeakPolarHBondContact O-CB 3.35Å; S226-A229 WeakPolarHBondContact O-CA 3.36Å; S226-A229 VanDerWaalsContact O-CB 3.29Å; S226-A229 WeakPolarHBondContact O-CB 3.46Å; S226-A229 PolarHBondContact O-N 3.37Å; A229-S231 VanDerWaalsContact C-N 3.27Å; A229-S231 PolarHBondContact O-N 3.21Å; A229-I232 WeakPolarHBondContact O-CB 3.45Å; A229-I232 PolarHBondContact O-N 3.46Å; A229-I232 VanDerWaalsContact O-N 3.17Å; A229-S233 WeakPolarHBondContact O-CB 3.29Å; A229-S233 PolarHBondContact O-N 3.38Å; A229-M250 HydrophobicContact CB-CB 4.23Å; A229-E251 VanDerWaalsContact CB-O 3.29Å; A229-E251 WeakPolarHBondContact CB-O 3.48Å; A229-G253 CarbonylContact C-O 3.52Å; A229-G253 WeakPolarHBondContact CB-O 3.5Å
230	I	98.7	Very high	98.3	Very high	14 Å²	14	9.3 Å²	9.3	7%	0.072	6%	0.056	C	C	.	.	H	α-helix	trans	-58.4	-43.5	170.7	-60.2	174.4	0	0	0	110.2	F149 S226 G228 S233 S234 I257 L260	F149-I230 HydrophobicContact CE2-CB 4.21Å; F149-I230 HydrophobicContact CE2-CD1 4.19Å; F149-I230 HydrophobicContact CE2-CG2 3.88Å; F149-I230 HydrophobicContact CZ-CB 3.94Å; F149-I230 HydrophobicContact CZ-CG2 3.74Å; S226-I230 WeakPolarHBondContact O-CG1 3.43Å; S226-I230 PolarHBondContact O-N 3.34Å; G228-I230 VanDerWaalsContact C-N 3.33Å; G228-I230 PolarHBondContact O-N 3.08Å; I230-S233 PolarHBondContact O-N 2.78Å; I230-S234 VanDerWaalsContact O-CB 3.23Å; I230-S234 WeakPolarHBondContact O-CB 3.49Å; I230-S234 PolarHBondContact O-N 3.06Å; I230-S234 PolarHBondContact O-OG 3.14Å; I230-I257 HydrophobicContact CD1-CD1 3.84Å; I230-I257 HydrophobicContact CG1-CD1 3.97Å; I230-L260 HydrophobicContact CD1-CD1 4.1Å; I230-L260 HydrophobicContact CD1-CD2 4.05Å; I230-L260 HydrophobicContact CD1-CG 4.45Å; I230-L260 HydrophobicContact CG1-CD1 4.43Å; I230-L260 HydrophobicContact CG2-CD1 3.4Å; I230-L260 HydrophobicContact CG2-CD2 4.26Å; I230-L260 HydrophobicContact CG2-CG 4.46Å
231	S	98.8	Very high	98.2	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-62.5	-42.7	174.6	-58.6	0	0	0	0	112.3	F149 Q199 A227 G228 A229 S234 L235	F149-S231 WeakPolarHBondContact CE1-OG 3.41Å; Q199-S231 PolarHBondContact NE2-OG 2.86Å; Q199-S231 VanDerWaalsContact OE1-CB 3.27Å; A227-S231 PolarHBondContact O-N 3.34Å; A227-S231 PolarHBondContact O-OG 3.44Å; G228-S231 CarbonylContact O-C 3.54Å; G228-S231 WeakPolarHBondContact O-CA 3.27Å; G228-S231 WeakPolarHBondContact O-CB 3.31Å; G228-S231 PolarHBondContact O-N 2.93Å; A229-S231 VanDerWaalsContact C-N 3.27Å; A229-S231 PolarHBondContact O-N 3.21Å; S231-S234 WeakPolarHBondContact O-CB 3.39Å; S231-S234 PolarHBondContact O-N 3.39Å; S231-L235 WeakPolarHBondContact O-CB 3.36Å; S231-L235 VanDerWaalsContact O-CG 3.26Å; S231-L235 WeakPolarHBondContact O-CG 3.03Å; S231-L235 PolarHBondContact O-N 3.12Å
232	I	98.8	Very high	98	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-58.8	-51.1	174.9	-60	-59.1	0	0	0	110.9	I144 I222 G228 A229 S234 L235 V236 A248 M250	I144-I232 HydrophobicContact CB-CD1 4.43Å; I144-I232 HydrophobicContact CD1-CD1 3.66Å; I144-I232 HydrophobicContact CG1-CD1 3.93Å; I222-I232 HydrophobicContact CB-CD1 3.48Å; I222-I232 VanDerWaalsContact CB-CD1 3.48Å; I222-I232 HydrophobicContact CD1-CB 4.44Å; I222-I232 HydrophobicContact CD1-CD1 3.75Å; I222-I232 HydrophobicContact CD1-CG2 3.87Å; I222-I232 HydrophobicContact CG1-CD1 3.71Å; I222-I232 HydrophobicContact CG1-CG2 3.95Å; G228-I232 WeakPolarHBondContact O-CG1 3.27Å; G228-I232 PolarHBondContact O-N 2.89Å; A229-I232 WeakPolarHBondContact O-CB 3.45Å; A229-I232 PolarHBondContact O-N 3.46Å; A229-I232 VanDerWaalsContact O-N 3.17Å; I232-S234 VanDerWaalsContact C-N 3.29Å; I232-S234 PolarHBondContact O-N 3.31Å; I232-L235 PolarHBondContact O-N 2.95Å; I232-V236 WeakPolarHBondContact O-CG2 3.45Å; I232-V236 PolarHBondContact O-N 3.26Å; I232-A248 HydrophobicContact CG2-CB 3.73Å; I232-M250 HydrophobicContact CB-CG 4.21Å; I232-M250 HydrophobicContact CG2-CE 4.18Å; I232-M250 HydrophobicContact CG2-CG 3.78Å
233	S	98.6	Very high	97.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.1	-41.8	177.4	-174.7	0	0	0	0	111.9	A229 I230 V236 I237 A255	A229-S233 WeakPolarHBondContact O-CB 3.29Å; A229-S233 PolarHBondContact O-N 3.38Å; I230-S233 PolarHBondContact O-N 2.78Å; S233-V236 PolarHBondContact O-N 3.42Å; S233-I237 PolarHBondContact O-N 2.94Å; S233-A255 VanDerWaalsContact CB-N 3.29Å; S233-A255 WeakPolarHBondContact OG-CB 3.23Å; S233-A255 PolarHBondContact OG-N 2.92Å
234	S	98.4	Very high	97.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.4	-43.4	176.2	-63.6	0	0	0	0	112.6	I230 S231 I232 I237 S238	I230-S234 VanDerWaalsContact O-CB 3.23Å; I230-S234 WeakPolarHBondContact O-CB 3.49Å; I230-S234 PolarHBondContact O-N 3.06Å; I230-S234 PolarHBondContact O-OG 3.14Å; S231-S234 WeakPolarHBondContact O-CB 3.39Å; S231-S234 PolarHBondContact O-N 3.39Å; I232-S234 VanDerWaalsContact C-N 3.29Å; I232-S234 PolarHBondContact O-N 3.31Å; S234-I237 WeakPolarHBondContact O-CG1 3.37Å; S234-I237 PolarHBondContact O-N 3.26Å; S234-S238 WeakPolarHBondContact O-CB 3.27Å; S234-S238 PolarHBondContact O-N 2.96Å
235	L	98.7	Very high	97.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.5	-39.7	175.6	-72.7	163.2	0	0	0	111.3	I144 Q199 L200 L203 I222 S231 I232 I237 S238 S241 F245 F318	I144-L235 HydrophobicContact CD1-CD1 3.65Å; Q199-L235 HydrophobicContact CB-CD1 4.38Å; L200-L235 HydrophobicContact CD2-CD2 3.68Å; L200-L235 HydrophobicContact CG-CD2 4.01Å; L203-L235 HydrophobicContact CD1-CD1 4.02Å; L203-L235 HydrophobicContact CD1-CD2 4.28Å; I222-L235 HydrophobicContact CD1-CB 4.05Å; I222-L235 HydrophobicContact CD1-CD1 4.12Å; S231-L235 WeakPolarHBondContact O-CB 3.36Å; S231-L235 VanDerWaalsContact O-CG 3.26Å; S231-L235 WeakPolarHBondContact O-CG 3.03Å; S231-L235 PolarHBondContact O-N 3.12Å; I232-L235 PolarHBondContact O-N 2.95Å; L235-I237 VanDerWaalsContact C-N 3.31Å; L235-I237 PolarHBondContact O-N 3.25Å; L235-S238 PolarHBondContact O-N 2.91Å; L235-S241 VanDerWaalsContact O-CB 3.26Å; L235-S241 WeakPolarHBondContact O-CB 3.45Å; L235-S241 PolarHBondContact O-OG 2.9Å; L235-F245 HydrophobicContact CB-CE1 4.08Å; L235-F245 HydrophobicContact CB-CZ 4.43Å; L235-F318 HydrophobicContact CD2-CE2 3.97Å; L235-F318 HydrophobicContact CD2-CZ 3.98Å; L235-F318 HydrophobicContact CG-CZ 4.37Å
236	V	98.2	Very high	97.9	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.024	12%	0.124	C	C	.	.	H	α-helix	trans	-59.6	-40.6	177	173.2	0	0	0	0	112.2	I232 S233 F245 A248 M250 F332 V335	I232-V236 WeakPolarHBondContact O-CG2 3.45Å; I232-V236 PolarHBondContact O-N 3.26Å; S233-V236 PolarHBondContact O-N 3.42Å; V236-F245 HydrophobicContact CG2-CE2 3.85Å; V236-F245 HydrophobicContact CG2-CZ 3.94Å; V236-A248 HydrophobicContact CG2-CB 3.72Å; V236-M250 HydrophobicContact CB-CE 4.31Å; V236-M250 HydrophobicContact CG2-CE 3.85Å; V236-F332 HydrophobicContact CG1-CD2 3.88Å; V236-F332 HydrophobicContact CG1-CE2 4.19Å; V236-V335 HydrophobicContact CG1-CG2 4.42Å; V236-V335 HydrophobicContact CG2-CG2 4.17Å
237	I	97.1	Very high	97.9	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.015	12%	0.123	C	C	.	.	H	α-helix	trans	-87.4	-12.8	-178.5	68.8	-177	0	0	0	114	S233 S234 L235 A255 F319 P323 L326 L327 F332	S233-I237 PolarHBondContact O-N 2.94Å; S234-I237 WeakPolarHBondContact O-CG1 3.37Å; S234-I237 PolarHBondContact O-N 3.26Å; L235-I237 VanDerWaalsContact C-N 3.31Å; L235-I237 PolarHBondContact O-N 3.25Å; I237-A255 HydrophobicContact CD1-CB 3.79Å; I237-F319 HydrophobicContact CD1-CD1 4.46Å; I237-F319 HydrophobicContact CD1-CE1 3.97Å; I237-F319 HydrophobicContact CG1-CE1 4.1Å; I237-P323 HydrophobicContact CD1-CB 3.53Å; I237-P323 HydrophobicContact CD1-CG 4.07Å; I237-L326 HydrophobicContact CB-CB 4.39Å; I237-L326 HydrophobicContact CB-CD1 4.28Å; I237-L326 HydrophobicContact CD1-CD1 4.14Å; I237-L326 HydrophobicContact CG1-CD1 4.15Å; I237-L327 HydrophobicContact CG2-CD2 3.78Å; I237-L327 HydrophobicContact CG2-CG 4.25Å; I237-F332 HydrophobicContact CB-CB 4.24Å; I237-F332 HydrophobicContact CG2-CB 4.27Å; I237-F332 HydrophobicContact CG2-CD1 4.39Å; I237-F332 HydrophobicContact CG2-CD2 4.41Å; I237-F332 HydrophobicContact CG2-CG 4.12Å
238	S	97.8	Very high	98	Very high	5 Å²	5	23.3 Å²	23.3	4%	0.035	12%	0.123	C	C	.	.			trans	-77.6	132.3	177.6	-174.5	0	0	0	0	112.2	S234 L235 L240 S241 F318	S234-S238 WeakPolarHBondContact O-CB 3.27Å; S234-S238 PolarHBondContact O-N 2.96Å; L235-S238 PolarHBondContact O-N 2.91Å; S238-L240 PolarHBondContact O-N 3.03Å; S238-L240 PolarHBondContact OG-N 2.81Å; S238-S241 PolarHBondContact O-N 3.27Å; S238-S241 PolarHBondContact O-OG 3.01Å; S238-S241 VanDerWaalsContact O-OG 3.09Å; S238-F318 VanDerWaalsContact CB-O 3.26Å; S238-F318 WeakPolarHBondContact CB-O 3.44Å; S238-F318 PolarHBondContact OG-O 3.14Å
239	P	96.7	Very high	98	Very high	74 Å²	74	23.3 Å²	23.3	48%	0.481	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-66.8	-22.7	174.4	28.3	-35.5	0	0	0	113.1	S241 K242 P320	P239-S241 VanDerWaalsContact C-N 3.26Å; P239-S241 PolarHBondContact O-N 3.3Å; P239-K242 WeakPolarHBondContact O-CB 3.32Å; P239-K242 PolarHBondContact O-N 2.95Å; P239-P320 HydrophobicContact CG-CG 3.72Å
240	L	97.4	Very high	98	Very high	74 Å²	74	23.3 Å²	23.3	39%	0.387	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-72.2	-19.3	-176.4	-61.7	-174.6	0	0	0	113.4	Y197 L200 S238 K242 F318	Y197-L240 HydrophobicContact CE1-CD1 3.69Å; L200-L240 HydrophobicContact CD1-CB 3.74Å; L200-L240 HydrophobicContact CD1-CD1 4.05Å; L200-L240 HydrophobicContact CD2-CB 4.44Å; S238-L240 PolarHBondContact O-N 3.03Å; S238-L240 PolarHBondContact OG-N 2.81Å; L240-K242 VanDerWaalsContact C-N 3.3Å; L240-F318 HydrophobicContact CD1-CB 4.17Å; L240-F318 HydrophobicContact CD1-CD2 4.33Å
241	S	97.4	Very high	98	Very high	6 Å²	6	22.6 Å²	22.6	4%	0.042	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-87.5	-0.5	-177.8	78.4	0	0	0	0	113.7	L235 S238 P239 G243 L244	L235-S241 VanDerWaalsContact O-CB 3.26Å; L235-S241 WeakPolarHBondContact O-CB 3.45Å; L235-S241 PolarHBondContact O-OG 2.9Å; S238-S241 PolarHBondContact O-N 3.27Å; S238-S241 PolarHBondContact O-OG 3.01Å; S238-S241 VanDerWaalsContact O-OG 3.09Å; P239-S241 VanDerWaalsContact C-N 3.26Å; P239-S241 PolarHBondContact O-N 3.3Å; S241-G243 PolarHBondContact O-N 3.24Å; S241-G243 VanDerWaalsContact O-N 3.12Å; S241-L244 WeakPolarHBondContact O-CB 3.2Å; S241-L244 WeakPolarHBondContact O-CG 3.31Å; S241-L244 PolarHBondContact O-N 3.39Å
242	K	94.6	Very high	98	Very high	162 Å²	162	22.6 Å²	22.6	70%	0.704	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	117.8	-171.9	-175.8	178.4	179.6	178	0	111.8	P239 L240	P239-K242 WeakPolarHBondContact O-CB 3.32Å; P239-K242 PolarHBondContact O-N 2.95Å; L240-K242 VanDerWaalsContact C-N 3.3Å
243	G	95.1	Very high	97.9	Very high	30 Å²	30	22.9 Å²	22.9	31%	0.309	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	22.9	176.8	0	0	0	0	0	114.1	K207 S241	K207-G243 PolarHBondContact NZ-O 3.01Å; S241-G243 PolarHBondContact O-N 3.24Å; S241-G243 VanDerWaalsContact O-N 3.12Å
244	L	98.4	Very high	97.9	Very high	9 Å²	9	23 Å²	23	5%	0.047	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-22.2	169.1	-58.2	-174.6	0	0	0	112.8	L200 L203 L204 K207 S241	L200-L244 HydrophobicContact CD2-CD1 3.84Å; L203-L244 HydrophobicContact CB-CB 4.1Å; L203-L244 HydrophobicContact CB-CD1 4.03Å; L203-L244 HydrophobicContact CD1-CB 4.48Å; L204-L244 HydrophobicContact CD2-CD1 4.39Å; L204-L244 HydrophobicContact CD2-CD2 3.56Å; L204-L244 HydrophobicContact CG-CD1 4.18Å; L204-L244 HydrophobicContact CG-CD2 4.12Å; K207-L244 HydrophobicContact CD-CD2 3.79Å; S241-L244 WeakPolarHBondContact O-CB 3.2Å; S241-L244 WeakPolarHBondContact O-CG 3.31Å; S241-L244 PolarHBondContact O-N 3.39Å
245	F	98.8	Very high	97.9	Very high	16 Å²	16	23 Å²	23	7%	0.07	12%	0.124	C	C	.	.			trans	-146.9	169.8	174.6	61.5	-92.3	0	0	0	111.2	L203 V220 I222 L235 V236 V335	L203-F245 HydrophobicContact CD1-CD1 4.25Å; V220-F245 HydrophobicContact CB-CB 4.38Å; V220-F245 HydrophobicContact CG1-CB 4.06Å; I222-F245 HydrophobicContact CD1-CD1 3.63Å; I222-F245 HydrophobicContact CD1-CD2 3.89Å; I222-F245 HydrophobicContact CD1-CE1 3.59Å; I222-F245 HydrophobicContact CD1-CE2 3.89Å; I222-F245 HydrophobicContact CD1-CG 3.78Å; I222-F245 HydrophobicContact CD1-CZ 3.75Å; I222-F245 HydrophobicContact CG1-CB 4.28Å; I222-F245 HydrophobicContact CG1-CD1 4.18Å; I222-F245 HydrophobicContact CG1-CD2 3.89Å; I222-F245 HydrophobicContact CG1-CE2 4.31Å; I222-F245 HydrophobicContact CG1-CG 3.84Å; I222-F245 HydrophobicContact CG2-CB 3.72Å; I222-F245 HydrophobicContact CG2-CD1 4.14Å; I222-F245 HydrophobicContact CG2-CG 3.99Å; L235-F245 HydrophobicContact CB-CE1 4.08Å; L235-F245 HydrophobicContact CB-CZ 4.43Å; V236-F245 HydrophobicContact CG2-CE2 3.85Å; V236-F245 HydrophobicContact CG2-CZ 3.94Å; F245-V335 HydrophobicContact CD2-CG2 4.44Å; F245-V335 HydrophobicContact CE2-CG1 4.2Å; F245-V335 HydrophobicContact CE2-CG2 3.95Å
246	H	98.7	Very high	97.8	Very high	59 Å²	59	24.5 Å²	24.5	27%	0.273	13%	0.131	S	C	.	.	S	Bend	trans	-126.2	-19	-168.5	-56.1	77.2	0	0	0	112	P217 D218 V220 P336	P217-H246 PolarHBondContact O-CE1 3.45Å; D218-H246 VanDerWaalsContact CA-CE1 3.44Å; D218-H246 WeakPolarHBondContact CA-CE1 3.27Å; D218-H246 PolarHBondContact O-CD2 3.16Å; D218-H246 VanDerWaalsContact O-CD2 3.28Å; D218-H246 PolarHBondContact O-CE1 3.42Å; D218-H246 PolarHBondContact O-NE2 2.82Å; V220-H246 PolarHBondContact N-ND1 3.42Å; V220-H246 PolarHBondContact O-N 2.94Å; H246-P336 WeakPolarHBondContact O-CD 3.39Å
247	R	98.9	Very high	97.5	Very high	33 Å²	33	24.8 Å²	24.8	13%	0.125	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	153.4	-176.3	-55	177.6	-173.5	84.4	-0.2	109.9	S219 V220 T221 I222 P336 F495 A496 R497	S219-R247 PolarHBondContact OG-NH1 3.15Å; V220-R247 PolarHBondContact O-N 2.87Å; T221-R247 WeakPolarHBondContact CA-O 3.44Å; T221-R247 HydrophobicContact CG2-CB 3.92Å; I222-R247 PolarHBondContact N-O 3.36Å; R247-P336 WeakPolarHBondContact CA-O 3.41Å; R247-P336 HydrophobicContact CG-CB 4.33Å; R247-F495 HydrophobicContact CB-CD1 4.46Å; R247-F495 HydrophobicContact CB-CE1 3.76Å; R247-F495 HydrophobicContact CB-CZ 4.14Å; R247-F495 WeakPolarHBondContact CD-O 3.42Å; R247-F495 PolarHBondContact NE-O 2.91Å; R247-A496 PolarHBondContact NH1-O 2.86Å; R247-R497 PolarHBondContact NH2-O 2.77Å
248	A	98.9	Very high	96.8	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	141.3	-178.4	0	0	0	0	0	111.6	I222 I232 V236 M250 V335 P336 S337 I338 F495	I222-A248 HydrophobicContact CG1-CB 4.33Å; I222-A248 CarbonylContact O-C 3.56Å; I222-A248 WeakPolarHBondContact O-CA 3.39Å; I232-A248 HydrophobicContact CG2-CB 3.73Å; V236-A248 HydrophobicContact CG2-CB 3.72Å; A248-M250 HydrophobicContact CB-CE 4.19Å; A248-V335 HydrophobicContact CB-CG2 4.05Å; A248-P336 PolarHBondContact N-O 2.91Å; A248-S337 CarbonylContact O-C 3.48Å; A248-S337 VanDerWaalsContact O-CA 3.23Å; A248-S337 WeakPolarHBondContact O-CA 3.36Å; A248-I338 PolarHBondContact O-N 3.12Å; A248-F495 WeakPolarHBondContact O-CE1 3.44Å
249	I	98.9	Very high	95.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	122.9	170.2	-50.9	177.1	0	0	0	108.4	M141 T221 I222 F223 G224 E251 I338 W492 F495	M141-I249 HydrophobicContact CE-CD1 4.36Å; T221-I249 HydrophobicContact CG2-CD1 4.08Å; T221-I249 HydrophobicContact CG2-CG1 4.02Å; I222-I249 PolarHBondContact O-N 3.39Å; F223-I249 WeakPolarHBondContact CA-O 3.23Å; F223-I249 HydrophobicContact CB-CB 3.66Å; F223-I249 HydrophobicContact CB-CD1 4.23Å; F223-I249 HydrophobicContact CB-CG1 4.23Å; F223-I249 HydrophobicContact CB-CG2 4.42Å; G224-I249 PolarHBondContact N-O 2.84Å; I249-E251 HydrophobicContact CG2-CG 3.89Å; I249-I338 CarbonylContact C-O 3.58Å; I249-I338 VanDerWaalsContact CA-O 3.28Å; I249-I338 WeakPolarHBondContact CA-O 3.16Å; I249-I338 HydrophobicContact CB-CB 4.32Å; I249-I338 HydrophobicContact CD1-CD1 4.2Å; I249-I338 HydrophobicContact CG1-CB 4.11Å; I249-I338 HydrophobicContact CG1-CD1 4.27Å; I249-I338 HydrophobicContact CG2-CB 3.92Å; I249-I338 HydrophobicContact CG2-CG2 3.98Å; I249-W492 VanDerWaalsContact CD1-CD1 3.41Å; I249-W492 HydrophobicContact CD1-CG 3.99Å; I249-F495 HydrophobicContact CD1-CD1 3.8Å; I249-F495 HydrophobicContact CD1-CE1 4.24Å; I249-F495 HydrophobicContact CG1-CD1 3.73Å; I249-F495 HydrophobicContact CG1-CE1 3.64Å
250	M	98.8	Very high	95.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	100.1	-175.6	-58.3	175.1	-164.4	0	0	109	A229 I232 V236 A248 V254 I338 I339 G340 T419	A229-M250 HydrophobicContact CB-CB 4.23Å; I232-M250 HydrophobicContact CB-CG 4.21Å; I232-M250 HydrophobicContact CG2-CE 4.18Å; I232-M250 HydrophobicContact CG2-CG 3.78Å; V236-M250 HydrophobicContact CB-CE 4.31Å; V236-M250 HydrophobicContact CG2-CE 3.85Å; A248-M250 HydrophobicContact CB-CE 4.19Å; M250-V254 HydrophobicContact SD-CG1 4.12Å; M250-I338 PolarHBondContact N-O 3.35Å; M250-I339 HydrophobicContact CB-CG1 4.28Å; M250-I339 HydrophobicContact CB-CG2 4.44Å; M250-I339 HydrophobicContact CG-CG1 4.49Å; M250-I339 WeakPolarHBondContact O-CA 3.18Å; M250-I339 HydrophobicContact SD-CD1 4.29Å; M250-I339 HydrophobicContact SD-CG1 4.07Å; M250-G340 PolarHBondContact O-N 2.98Å; M250-T419 HydrophobicContact SD-CG2 4.47Å
251	E	98.8	Very high	94.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	105.3	-177.4	-50.8	175.4	-159.2	0	0	108.5	G224 G225 S226 A229 I249 G253 Y433 W492	G224-E251 WeakPolarHBondContact O-CB 3.34Å; G224-E251 PolarHBondContact O-N 2.63Å; G225-E251 CarbonylContact C-O 3.59Å; G225-E251 VanDerWaalsContact CA-O 3.25Å; G225-E251 WeakPolarHBondContact CA-O 3.28Å; S226-E251 PolarHBondContact N-O 2.78Å; A229-E251 VanDerWaalsContact CB-O 3.29Å; A229-E251 WeakPolarHBondContact CB-O 3.48Å; I249-E251 HydrophobicContact CG2-CG 3.89Å; E251-G253 PolarHBondContact O-N 3.45Å; E251-Y433 WeakPolarHBondContact CB-OH 3.29Å; E251-Y433 WeakPolarHBondContact CG-OH 3.41Å; E251-W492 PolarHBondContact OE1-NE1 2.96Å
252	S	98.6	Very high	93.6	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	58.1	44.7	175.7	-56.2	0	0	0	0	114.4	S226 G340 E345 F412	S226-S252 WeakPolarHBondContact CA-O 3.18Å; S252-G340 WeakPolarHBondContact CA-O 3.26Å; S252-G340 PolarHBondContact N-O 3.19Å; S252-E345 WeakPolarHBondContact CB-OE1 3.47Å; S252-E345 PolarHBondContact OG-OE1 3.27Å; S252-E345 PolarHBondContact OG-OE2 3.09Å; S252-F412 WeakPolarHBondContact O-CD1 3.49Å; S252-F412 VanDerWaalsContact O-CE1 3.26Å; S252-F412 WeakPolarHBondContact O-CE1 3.49Å
253	G	98.2	Very high	93	Very high	6 Å²	6	28.8 Å²	28.8	6%	0.062	16%	0.155	C	C	.	.			trans	179	145	172	0	0	0	0	0	114.8	A229 E251	A229-G253 CarbonylContact C-O 3.52Å; A229-G253 WeakPolarHBondContact CB-O 3.5Å; E251-G253 PolarHBondContact O-N 3.45Å
254	V	98.3	Very high	92.5	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.012	17%	0.168	C	C	.	.			trans	-147.4	166.4	-180	-65.6	0	0	0	0	111.8	M250 I256 I257 I339 P415 T419	M250-V254 HydrophobicContact SD-CG1 4.12Å; V254-I256 VanDerWaalsContact C-N 3.26Å; V254-I256 HydrophobicContact CG2-CG1 3.88Å; V254-I256 PolarHBondContact O-N 2.89Å; V254-I257 HydrophobicContact CG2-CG1 4.04Å; V254-I257 WeakPolarHBondContact O-CG1 3.49Å; V254-I339 HydrophobicContact CG1-CG2 4.49Å; V254-P415 HydrophobicContact CG2-CB 3.43Å; V254-P415 VanDerWaalsContact CG2-CB 3.43Å; V254-T419 HydrophobicContact CB-CG2 4.38Å; V254-T419 HydrophobicContact CG1-CG2 4Å
255	A	97.1	Very high	92	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.008	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-15.2	-174.1	0	0	0	0	0	114.9	S233 I237 P323	S233-A255 VanDerWaalsContact CB-N 3.29Å; S233-A255 WeakPolarHBondContact OG-CB 3.23Å; S233-A255 PolarHBondContact OG-N 2.92Å; I237-A255 HydrophobicContact CD1-CB 3.79Å; A255-P323 HydrophobicContact CB-CB 3.95Å; A255-P323 HydrophobicContact CB-CG 4.33Å
256	I	96.3	Very high	91.4	Very high	31 Å²	31	39.3 Å²	39.3	16%	0.159	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	15.2	-178.1	63	170.2	0	0	0	113.9	V254 P323 L324 L327 P415 V418 T419	V254-I256 VanDerWaalsContact C-N 3.26Å; V254-I256 HydrophobicContact CG2-CG1 3.88Å; V254-I256 PolarHBondContact O-N 2.89Å; I256-P323 HydrophobicContact CG2-CB 3.88Å; I256-L324 HydrophobicContact CD1-CD1 4.4Å; I256-L324 HydrophobicContact CG2-CB 4.05Å; I256-L324 HydrophobicContact CG2-CD1 4.36Å; I256-L327 HydrophobicContact CD1-CD1 4.37Å; I256-L327 HydrophobicContact CG2-CD1 3.64Å; I256-P415 HydrophobicContact CG1-CB 4.08Å; I256-V418 HydrophobicContact CD1-CB 3.98Å; I256-V418 HydrophobicContact CD1-CG1 3.65Å; I256-T419 WeakPolarHBondContact CD1-OG1 3.45Å
257	I	92.9	Very high	91	Very high	9 Å²	9	38 Å²	38	5%	0.046	20%	0.201	C	C	.	.			trans	-62.8	127.4	174.6	-66.8	177.7	0	0	0	109.2	I230 V254 S259 L260 F411 F412 P415	I230-I257 HydrophobicContact CD1-CD1 3.84Å; I230-I257 HydrophobicContact CG1-CD1 3.97Å; V254-I257 HydrophobicContact CG2-CG1 4.04Å; V254-I257 WeakPolarHBondContact O-CG1 3.49Å; I257-S259 VanDerWaalsContact C-N 3.3Å; I257-S259 WeakPolarHBondContact CG2-OG 3.37Å; I257-S259 PolarHBondContact O-N 3.39Å; I257-L260 HydrophobicContact CB-CD1 4.01Å; I257-L260 HydrophobicContact CB-CG 4.19Å; I257-L260 WeakPolarHBondContact O-CB 3.48Å; I257-L260 PolarHBondContact O-N 3.29Å; I257-L260 VanDerWaalsContact O-N 3.11Å; I257-F411 WeakPolarHBondContact CD1-O 3.49Å; I257-F411 WeakPolarHBondContact CG1-O 3.43Å; I257-F411 HydrophobicContact CG2-CD1 4.31Å; I257-F412 HydrophobicContact CD1-CD1 4.38Å; I257-F412 HydrophobicContact CD1-CE1 4.47Å; I257-P415 HydrophobicContact CG1-CB 4.13Å; I257-P415 HydrophobicContact CG1-CG 4.36Å
258	P	81.9	Confident	90.6	Very high	71 Å²	71	43.6 Å²	43.6	46%	0.461	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-56.8	-37	-172.4	-28.6	35.1	0	0	0	115	L260 R261 V410	P258-L260 PolarHBondContact O-N 3.49Å; P258-L260 VanDerWaalsContact O-N 3.09Å; P258-R261 PolarHBondContact O-N 2.98Å; P258-V410 HydrophobicContact CG-CG1 4.39Å
259	S	77.8	Confident	90.4	Very high	77 Å²	77	47.4 Å²	47.4	54%	0.538	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-68	-6.7	-178.3	56.9	0	0	0	0	114.5	I257 R261	I257-S259 VanDerWaalsContact C-N 3.3Å; I257-S259 WeakPolarHBondContact CG2-OG 3.37Å; I257-S259 PolarHBondContact O-N 3.39Å; S259-R261 VanDerWaalsContact C-N 3.32Å
260	L	82.1	Confident	90.2	Very high	10 Å²	10	48 Å²	48	5%	0.052	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-82.7	-7.7	174.9	-61.5	173.5	0	0	0	113.5	F149 I230 I257 P258 T311	F149-L260 HydrophobicContact CD2-CD2 4.46Å; F149-L260 HydrophobicContact CE2-CD2 3.96Å; I230-L260 HydrophobicContact CD1-CD1 4.1Å; I230-L260 HydrophobicContact CD1-CD2 4.05Å; I230-L260 HydrophobicContact CD1-CG 4.45Å; I230-L260 HydrophobicContact CG1-CD1 4.43Å; I230-L260 HydrophobicContact CG2-CD1 3.4Å; I230-L260 HydrophobicContact CG2-CD2 4.26Å; I230-L260 HydrophobicContact CG2-CG 4.46Å; I257-L260 HydrophobicContact CB-CD1 4.01Å; I257-L260 HydrophobicContact CB-CG 4.19Å; I257-L260 WeakPolarHBondContact O-CB 3.48Å; I257-L260 PolarHBondContact O-N 3.29Å; I257-L260 VanDerWaalsContact O-N 3.11Å; P258-L260 PolarHBondContact O-N 3.49Å; P258-L260 VanDerWaalsContact O-N 3.09Å; L260-T311 WeakPolarHBondContact O-CG2 3.43Å
261	R	82.1	Confident	90	Very high	166 Å²	166	49 Å²	49	63%	0.626	26%	0.257	S	S	*	.	S	Bend	trans	-105.4	109	176.7	-177.8	-179.2	179.8	-179.3	2	109.1	P258 S259	P258-R261 PolarHBondContact O-N 2.98Å; S259-R261 VanDerWaalsContact C-N 3.32Å
262	S	79.6	Confident	89.9	Confident	12 Å²	12	53 Å²	53	8%	0.084	28%	0.276	C	S	.	.			trans	-75.2	143.7	174.7	-56.8	0	0	0	0	111.8	Q267 S309 T311	S262-Q267 PolarHBondContact O-NE2 2.95Å; S262-S309 VanDerWaalsContact OG-CA 3.23Å; S262-S309 WeakPolarHBondContact OG-CA 3.38Å; S262-S309 PolarHBondContact OG-O 2.84Å; S262-T311 WeakPolarHBondContact OG-CG2 3.48Å
263	L	83.2	Confident	89.9	Confident	72 Å²	72	54.9 Å²	54.9	38%	0.377	29%	0.287	S	S	.	.			trans	-79.1	148.1	176.5	-59.7	176.7	0	0	0	110.9	V265 E266 Q267	L263-V265 PolarHBondContact O-N 3.33Å; L263-V265 VanDerWaalsContact O-N 3.08Å; L263-E266 HydrophobicContact CB-CG 4.16Å; L263-E266 PolarHBondContact N-OE2 3.42Å; L263-E266 VanDerWaalsContact N-OE2 3.16Å; L263-E266 WeakPolarHBondContact O-CB 3.36Å; L263-E266 PolarHBondContact O-N 3.49Å; L263-Q267 WeakPolarHBondContact O-CG 3.27Å; L263-Q267 PolarHBondContact O-N 2.84Å
264	D	84.9	Confident	89.9	Confident	108 Å²	108	54.6 Å²	54.6	58%	0.578	28%	0.284	S	S	*	.	H	α-helix	trans	-53.5	-34.8	178.6	-66	2.3	0	0	0	113	K268	D264-K268 WeakPolarHBondContact O-CB 3.29Å; D264-K268 VanDerWaalsContact O-CG 3.27Å; D264-K268 WeakPolarHBondContact O-CG 3.39Å; D264-K268 PolarHBondContact O-N 3.13Å
265	V	86.8	Confident	89.8	Confident	106 Å²	106	54.5 Å²	54.5	64%	0.642	28%	0.284	S	S	*	.	H	α-helix	trans	-68.5	-40.6	179.1	177.3	0	0	0	0	111.3	L263 T269	L263-V265 PolarHBondContact O-N 3.33Å; L263-V265 VanDerWaalsContact O-N 3.08Å; V265-T269 WeakPolarHBondContact O-CB 3.39Å; V265-T269 PolarHBondContact O-N 3.29Å; V265-T269 PolarHBondContact O-OG1 2.88Å
266	E	87.3	Confident	89.9	Confident	63 Å²	63	59.8 Å²	59.8	29%	0.294	31%	0.312	S	S	.	.	H	α-helix	trans	-66.2	-45.8	177.1	-63.2	173.1	161.5	0	0	110.1	L263 K268 T269 D270 H376	L263-E266 HydrophobicContact CB-CG 4.16Å; L263-E266 PolarHBondContact N-OE2 3.42Å; L263-E266 VanDerWaalsContact N-OE2 3.16Å; L263-E266 WeakPolarHBondContact O-CB 3.36Å; L263-E266 PolarHBondContact O-N 3.49Å; E266-K268 PolarHBondContact O-N 2.96Å; E266-T269 PolarHBondContact O-N 2.9Å; E266-D270 WeakPolarHBondContact O-CB 3.38Å; E266-D270 PolarHBondContact O-N 3.17Å; E266-H376 IonicContact OE1-CE1 3.06Å; E266-H376 IonicContact OE1-NE2 2.72Å
267	Q	89	Confident	89.9	Confident	32 Å²	32	60 Å²	60	15%	0.15	32%	0.318	C	S	.	.	H	α-helix	trans	-58.1	-46.2	177.1	-67	170.3	0.6	0	0	112	Q186 S262 L263 T269 D270 M271	Q186-Q267 VanDerWaalsContact NE2-CD 3.31Å; S262-Q267 PolarHBondContact O-NE2 2.95Å; L263-Q267 WeakPolarHBondContact O-CG 3.27Å; L263-Q267 PolarHBondContact O-N 2.84Å; Q267-T269 VanDerWaalsContact C-N 3.34Å; Q267-T269 PolarHBondContact O-N 3.02Å; Q267-D270 PolarHBondContact O-N 2.97Å; Q267-M271 WeakPolarHBondContact O-CB 3.35Å; Q267-M271 VanDerWaalsContact O-CG 3.28Å; Q267-M271 WeakPolarHBondContact O-CG 3.29Å; Q267-M271 PolarHBondContact O-N 3.42Å
268	K	91.4	Very high	90.1	Very high	150 Å²	150	60.7 Å²	60.7	65%	0.652	32%	0.324	S	S	*	.	H	α-helix	trans	-62.2	-42.5	176.7	-75.2	171.6	-175.9	172.6	0	112.1	D264 E266 Q272	D264-K268 WeakPolarHBondContact O-CB 3.29Å; D264-K268 VanDerWaalsContact O-CG 3.27Å; D264-K268 WeakPolarHBondContact O-CG 3.39Å; D264-K268 PolarHBondContact O-N 3.13Å; E266-K268 PolarHBondContact O-N 2.96Å; K268-Q272 PolarHBondContact O-N 3.23Å
269	T	94.1	Very high	90.8	Very high	79 Å²	79	60.5 Å²	60.5	49%	0.485	34%	0.335	S	S	.	.	H	α-helix	trans	-63.6	-45.9	179.5	-57.3	0	0	0	0	110.7	V265 E266 Q267 Q272 V273	V265-T269 WeakPolarHBondContact O-CB 3.39Å; V265-T269 PolarHBondContact O-N 3.29Å; V265-T269 PolarHBondContact O-OG1 2.88Å; E266-T269 PolarHBondContact O-N 2.9Å; Q267-T269 VanDerWaalsContact C-N 3.34Å; Q267-T269 PolarHBondContact O-N 3.02Å; T269-Q272 WeakPolarHBondContact O-CB 3.37Å; T269-Q272 PolarHBondContact O-N 3.24Å; T269-V273 PolarHBondContact O-N 3.47Å; T269-V273 VanDerWaalsContact O-N 3.09Å
270	D	95.1	Very high	91.7	Very high	12 Å²	12	61 Å²	61	6%	0.064	33%	0.328	C	S	.	.	H	α-helix	trans	-69.7	-38.6	-179.3	-73.8	-7.6	0	0	0	112.6	E266 Q267 Q272 V273 I274 T307 K308 S309	E266-D270 WeakPolarHBondContact O-CB 3.38Å; E266-D270 PolarHBondContact O-N 3.17Å; Q267-D270 PolarHBondContact O-N 2.97Å; D270-Q272 VanDerWaalsContact C-N 3.25Å; D270-Q272 PolarHBondContact O-N 3.22Å; D270-V273 WeakPolarHBondContact O-CB 3.49Å; D270-V273 PolarHBondContact O-N 2.95Å; D270-V273 VanDerWaalsContact O-N 3.11Å; D270-I274 WeakPolarHBondContact O-CG1 3.43Å; D270-I274 PolarHBondContact O-N 3.44Å; D270-T307 HydrophobicContact CB-CG2 3.74Å; D270-T307 VanDerWaalsContact CG-CA 3.48Å; D270-T307 WeakPolarHBondContact OD1-CA 3.31Å; D270-T307 WeakPolarHBondContact OD2-CA 3.23Å; D270-T307 WeakPolarHBondContact OD2-CB 3.4Å; D270-K308 PolarHBondContact OD2-N 3.01Å; D270-S309 VanDerWaalsContact CB-OG 3.25Å; D270-S309 WeakPolarHBondContact CB-OG 3.23Å; D270-S309 VanDerWaalsContact CG-OG 3.28Å; D270-S309 WeakPolarHBondContact OD2-CA 3Å; D270-S309 WeakPolarHBondContact OD2-CB 3.5Å; D270-S309 PolarHBondContact OD2-N 2.89Å; D270-S309 PolarHBondContact OD2-OG 3.11Å
271	M	95.6	Very high	92.4	Very high	22 Å²	22	65.1 Å²	65.1	11%	0.108	35%	0.351	C	S	.	.	H	α-helix	trans	-63.2	-34	173.3	-75.1	-58.3	-61.7	0	0	111.9	F183 T185 Q267 I274 A275 V282 L288 F310	F183-M271 HydrophobicContact CE2-SD 4.35Å; T185-M271 HydrophobicContact CG2-CE 4.36Å; Q267-M271 WeakPolarHBondContact O-CB 3.35Å; Q267-M271 VanDerWaalsContact O-CG 3.28Å; Q267-M271 WeakPolarHBondContact O-CG 3.29Å; Q267-M271 PolarHBondContact O-N 3.42Å; M271-I274 PolarHBondContact O-N 3.3Å; M271-A275 WeakPolarHBondContact O-CB 3.26Å; M271-A275 PolarHBondContact O-N 2.89Å; M271-V282 HydrophobicContact CB-CG2 3.78Å; M271-L288 HydrophobicContact CE-CD1 3.54Å; M271-F310 HydrophobicContact SD-CE1 4.05Å; M271-F310 HydrophobicContact SD-CZ 4.12Å
272	Q	96.6	Very high	92.9	Very high	84 Å²	84	60 Å²	60	39%	0.393	34%	0.338	S	S	.	.	H	α-helix	trans	-65	-41.2	171.5	-170.6	61.9	53.7	0	0	111.7	K268 T269 D270 I274 A275 D276	K268-Q272 PolarHBondContact O-N 3.23Å; T269-Q272 WeakPolarHBondContact O-CB 3.37Å; T269-Q272 PolarHBondContact O-N 3.24Å; D270-Q272 VanDerWaalsContact C-N 3.25Å; D270-Q272 PolarHBondContact O-N 3.22Å; Q272-I274 VanDerWaalsContact C-N 3.28Å; Q272-I274 PolarHBondContact O-N 2.94Å; Q272-A275 PolarHBondContact O-N 3.13Å; Q272-D276 PolarHBondContact NE2-OD1 2.91Å; Q272-D276 WeakPolarHBondContact O-CB 3.15Å; Q272-D276 PolarHBondContact O-N 2.95Å
273	V	97.3	Very high	93.6	Very high	40 Å²	40	63.8 Å²	63.8	24%	0.242	36%	0.364	C	S	.	.	H	α-helix	trans	-59.3	-40.5	174.6	172.8	0	0	0	0	111.4	T269 D270 A277 L303 K306 T307	T269-V273 PolarHBondContact O-N 3.47Å; T269-V273 VanDerWaalsContact O-N 3.09Å; D270-V273 WeakPolarHBondContact O-CB 3.49Å; D270-V273 PolarHBondContact O-N 2.95Å; D270-V273 VanDerWaalsContact O-N 3.11Å; V273-A277 WeakPolarHBondContact O-CB 3.25Å; V273-A277 PolarHBondContact O-N 3.37Å; V273-A277 VanDerWaalsContact O-N 3.12Å; V273-L303 HydrophobicContact CG1-CD2 4.37Å; V273-K306 HydrophobicContact CG1-CB 4.26Å; V273-T307 HydrophobicContact CB-CG2 4.29Å; V273-T307 HydrophobicContact CG1-CG2 4.18Å
274	I	97.8	Very high	94.3	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-65.8	-45.6	175.2	-64.8	-55.8	0	0	0	111.2	I179 F183 D270 M271 Q272 D276 A277 C278 L288 L292 L303 T307 F310	I179-I274 HydrophobicContact CD1-CD1 4.12Å; F183-I274 HydrophobicContact CE2-CG1 4.38Å; F183-I274 HydrophobicContact CE2-CG2 4.33Å; D270-I274 WeakPolarHBondContact O-CG1 3.43Å; D270-I274 PolarHBondContact O-N 3.44Å; M271-I274 PolarHBondContact O-N 3.3Å; Q272-I274 VanDerWaalsContact C-N 3.28Å; Q272-I274 PolarHBondContact O-N 2.94Å; I274-D276 PolarHBondContact O-N 2.88Å; I274-A277 PolarHBondContact O-N 3Å; I274-C278 WeakPolarHBondContact O-CB 3.38Å; I274-C278 PolarHBondContact O-N 3.3Å; I274-L288 HydrophobicContact CG2-CB 4.5Å; I274-L288 HydrophobicContact CG2-CD2 4.27Å; I274-L292 HydrophobicContact CD1-CD2 4.37Å; I274-L292 HydrophobicContact CG2-CD1 3.85Å; I274-L292 HydrophobicContact CG2-CD2 4.17Å; I274-L292 HydrophobicContact CG2-CG 4.18Å; I274-L303 HydrophobicContact CD1-CB 4.26Å; I274-L303 HydrophobicContact CD1-CD1 4.31Å; I274-T307 HydrophobicContact CD1-CG2 4.34Å; I274-F310 HydrophobicContact CD1-CE2 4.13Å; I274-F310 HydrophobicContact CD1-CZ 4.45Å; I274-F310 HydrophobicContact CG1-CE2 4.01Å; I274-F310 HydrophobicContact CG1-CZ 3.84Å
275	A	97.6	Very high	94.9	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-58.9	-47.8	178.2	0	0	0	0	0	112	M271 Q272 A277 C278 G279 E280 V282 L288	M271-A275 WeakPolarHBondContact O-CB 3.26Å; M271-A275 PolarHBondContact O-N 2.89Å; Q272-A275 PolarHBondContact O-N 3.13Å; A275-A277 VanDerWaalsContact C-N 3.31Å; A275-A277 PolarHBondContact O-N 3.27Å; A275-C278 CarbonylContact O-C 3.52Å; A275-C278 PolarHBondContact O-N 2.92Å; A275-G279 PolarHBondContact O-N 3.44Å; A275-E280 WeakPolarHBondContact CB-O 3.22Å; A275-E280 PolarHBondContact O-N 3.29Å; A275-E280 VanDerWaalsContact O-N 3.12Å; A275-V282 HydrophobicContact CB-CB 4.03Å; A275-V282 HydrophobicContact CB-CG2 4.49Å; A275-L288 HydrophobicContact CB-CD2 4.1Å
276	D	97.8	Very high	95.4	Very high	111 Å²	111	59.9 Å²	59.9	59%	0.594	34%	0.337	S	S	*	.	H	α-helix	trans	-61.4	-39.8	177.5	-66.7	-12.9	0	0	0	111.8	Q272 I274 C278 G279	Q272-D276 PolarHBondContact NE2-OD1 2.91Å; Q272-D276 WeakPolarHBondContact O-CB 3.15Å; Q272-D276 PolarHBondContact O-N 2.95Å; I274-D276 PolarHBondContact O-N 2.88Å; D276-C278 PolarHBondContact O-N 3.26Å; D276-G279 PolarHBondContact O-N 3.26Å
277	A	97.3	Very high	95.9	Very high	36 Å²	36	57.7 Å²	57.7	30%	0.298	33%	0.33	S	S	.	.	H	α-helix	trans	-69.8	-21.6	177.5	0	0	0	0	0	113.5	V273 I274 A275 K295 L303	V273-A277 WeakPolarHBondContact O-CB 3.25Å; V273-A277 PolarHBondContact O-N 3.37Å; V273-A277 VanDerWaalsContact O-N 3.12Å; I274-A277 PolarHBondContact O-N 3Å; A275-A277 VanDerWaalsContact C-N 3.31Å; A275-A277 PolarHBondContact O-N 3.27Å; A277-K295 WeakPolarHBondContact O-CE 3.24Å; A277-K295 PolarHBondContact O-NZ 3.47Å; A277-L303 HydrophobicContact CB-CD1 4.06Å; A277-L303 HydrophobicContact CB-CD2 3.51Å; A277-L303 HydrophobicContact CB-CG 4.43Å
278	C	97.4	Very high	96.3	Very high	24 Å²	24	56.1 Å²	56.1	16%	0.162	32%	0.323	C	S	.	.	H	α-helix	trans	-95.8	-18.8	176.5	-74.8	0	0	0	0	113.3	I274 A275 D276 E280 L288 C291	I274-C278 WeakPolarHBondContact O-CB 3.38Å; I274-C278 PolarHBondContact O-N 3.3Å; A275-C278 CarbonylContact O-C 3.52Å; A275-C278 PolarHBondContact O-N 2.92Å; D276-C278 PolarHBondContact O-N 3.26Å; C278-E280 HydrophobicContact CB-CB 4.02Å; C278-E280 HydrophobicContact CB-CG 3.76Å; C278-L288 HydrophobicContact CB-CD2 4.11Å; C278-C291 WeakPolarHBondContact CA-SG 3.4Å; C278-C291 HydrophobicContact CB-CB 3.69Å; C278-C291 WeakPolarHBondContact CB-SG 3.25Å; C278-C291 WeakPolarHBondContact SG-CB 3.26Å; C278-C291 CovalentContact SG-SG 2.04Å; C278-C291 PolarHBondContact SG-SG 3.48Å
279	G	97.1	Very high	96.6	Very high	67 Å²	67	49.4 Å²	49.4	69%	0.691	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	26	-169.6	0	0	0	0	0	112.3	A275 D276	A275-G279 PolarHBondContact O-N 3.44Å; D276-G279 PolarHBondContact O-N 3.26Å
280	E	96.9	Very high	96.8	Very high	87 Å²	87	50.8 Å²	50.8	41%	0.407	30%	0.295	S	S	.	.	S	Bend	trans	-114.8	166.3	-173.3	-66.7	-62.8	171.5	0	0	111.1	A275 C278 A287 L288	A275-E280 WeakPolarHBondContact CB-O 3.22Å; A275-E280 PolarHBondContact O-N 3.29Å; A275-E280 VanDerWaalsContact O-N 3.12Å; C278-E280 HydrophobicContact CB-CB 4.02Å; C278-E280 HydrophobicContact CB-CG 3.76Å; E280-A287 HydrophobicContact CG-CB 4.1Å; E280-L288 HydrophobicContact CB-CD2 3.68Å; E280-L288 HydrophobicContact CG-CD2 4.49Å
281	N	94.8	Very high	96.9	Very high	97 Å²	97	51.1 Å²	51.1	52%	0.519	30%	0.298	S	S	.	.			trans	-76.8	136	172.3	-168.4	-27.3	0	0	0	110.3	S283 D284	N281-S283 VanDerWaalsContact CG-OG 3.28Å; N281-S283 PolarHBondContact ND2-OG 2.94Å; N281-S283 PolarHBondContact O-N 2.83Å; N281-S283 VanDerWaalsContact O-N 3.08Å; N281-S283 PolarHBondContact OD1-N 3.38Å; N281-S283 PolarHBondContact OD1-OG 2.79Å; N281-S283 VanDerWaalsContact OD1-OG 3.14Å; N281-D284 PolarHBondContact O-N 2.69Å
282	V	94.3	Very high	97	Very high	58 Å²	58	50 Å²	50	35%	0.352	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-27.8	175.4	71.7	0	0	0	0	113.2	M271 A275	M271-V282 HydrophobicContact CB-CG2 3.78Å; A275-V282 HydrophobicContact CB-CB 4.03Å; A275-V282 HydrophobicContact CB-CG2 4.49Å
283	S	94.1	Very high	97.1	Very high	92 Å²	92	49 Å²	49	64%	0.643	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-11.3	178.1	66.2	0	0	0	0	114.8	N281 S285	N281-S283 VanDerWaalsContact CG-OG 3.28Å; N281-S283 PolarHBondContact ND2-OG 2.94Å; N281-S283 PolarHBondContact O-N 2.83Å; N281-S283 VanDerWaalsContact O-N 3.08Å; N281-S283 PolarHBondContact OD1-N 3.38Å; N281-S283 PolarHBondContact OD1-OG 2.79Å; N281-S283 VanDerWaalsContact OD1-OG 3.14Å; S283-S285 PolarHBondContact O-N 3.07Å
284	D	97.1	Very high	97.1	Very high	74 Å²	74	53.9 Å²	53.9	40%	0.396	31%	0.305	S	S	.	.			trans	-96.3	73.9	-179.9	-164.7	-26	0	0	0	110.7	N281 Q286 A287 L288	N281-D284 PolarHBondContact O-N 2.69Å; D284-Q286 PolarHBondContact O-N 3Å; D284-Q286 PolarHBondContact OD1-N 2.92Å; D284-A287 HydrophobicContact CB-CB 3.98Å; D284-A287 PolarHBondContact O-N 3.22Å; D284-A287 VanDerWaalsContact O-N 3.14Å; D284-A287 WeakPolarHBondContact OD1-CB 3.15Å; D284-A287 PolarHBondContact OD1-N 2.76Å; D284-L288 VanDerWaalsContact O-CG 3.32Å; D284-L288 WeakPolarHBondContact O-CG 3.36Å; D284-L288 PolarHBondContact O-N 2.87Å
285	S	96.7	Very high	97.1	Very high	13 Å²	13	55.4 Å²	55.4	9%	0.091	31%	0.312	C	S	.	.	H	α-helix	trans	-58.1	-30.6	-177.4	52.4	0	0	0	0	113.7	D187 H189 S283 L289	D187-S285 WeakPolarHBondContact OD2-CB 3.18Å; D187-S285 PolarHBondContact OD2-OG 3.39Å; H189-S285 PolarHBondContact CD2-OG 3.47Å; S283-S285 PolarHBondContact O-N 3.07Å; S285-L289 WeakPolarHBondContact O-CB 3.5Å; S285-L289 PolarHBondContact O-N 2.8Å
286	Q	97.3	Very high	97.2	Very high	116 Å²	116	58 Å²	58	54%	0.542	33%	0.33	S	S	.	.	H	α-helix	trans	-69.7	-46.1	176.1	-176.4	172.5	-21.3	0	0	111.4	D284 L289 Q290	D284-Q286 PolarHBondContact O-N 3Å; D284-Q286 PolarHBondContact OD1-N 2.92Å; Q286-L289 PolarHBondContact O-N 2.98Å; Q286-Q290 PolarHBondContact O-N 3.27Å
287	A	97.8	Very high	97.2	Very high	17 Å²	17	54.1 Å²	54.1	14%	0.14	31%	0.311	C	S	.	.	H	α-helix	trans	-62.7	-42.8	175.9	0	0	0	0	0	111.5	E280 D284 L289 Q290 C291	E280-A287 HydrophobicContact CG-CB 4.1Å; D284-A287 HydrophobicContact CB-CB 3.98Å; D284-A287 PolarHBondContact O-N 3.22Å; D284-A287 VanDerWaalsContact O-N 3.14Å; D284-A287 WeakPolarHBondContact OD1-CB 3.15Å; D284-A287 PolarHBondContact OD1-N 2.76Å; A287-L289 PolarHBondContact O-N 3.09Å; A287-Q290 PolarHBondContact O-N 3.19Å; A287-C291 WeakPolarHBondContact O-CB 3.32Å; A287-C291 PolarHBondContact O-N 3.34Å
288	L	98	Very high	97.2	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-58.6	-47.1	175.1	-63.7	178.4	0	0	0	111.8	M271 I274 A275 C278 E280 D284 Q290 C291 L292	M271-L288 HydrophobicContact CE-CD1 3.54Å; I274-L288 HydrophobicContact CG2-CB 4.5Å; I274-L288 HydrophobicContact CG2-CD2 4.27Å; A275-L288 HydrophobicContact CB-CD2 4.1Å; C278-L288 HydrophobicContact CB-CD2 4.11Å; E280-L288 HydrophobicContact CB-CD2 3.68Å; E280-L288 HydrophobicContact CG-CD2 4.49Å; D284-L288 VanDerWaalsContact O-CG 3.32Å; D284-L288 WeakPolarHBondContact O-CG 3.36Å; D284-L288 PolarHBondContact O-N 2.87Å; L288-Q290 PolarHBondContact O-N 3.14Å; L288-C291 PolarHBondContact O-N 3.42Å; L288-L292 WeakPolarHBondContact O-CG 3.41Å; L288-L292 PolarHBondContact O-N 3.11Å
289	L	97.8	Very high	97.2	Very high	9 Å²	9	62.2 Å²	62.2	5%	0.047	34%	0.335	C	S	.	.	H	α-helix	trans	-61.4	-43.4	177.7	175.3	60.9	0	0	0	112.1	F72 F183 H189 A190 S285 Q286 A287 L292 R293	F72-L289 HydrophobicContact CB-CD1 3.83Å; F72-L289 HydrophobicContact CD2-CD1 3.65Å; F72-L289 HydrophobicContact CG-CD1 4.14Å; F183-L289 HydrophobicContact CE1-CD1 4.39Å; H189-L289 HydrophobicContact CB-CD2 4.24Å; H189-L289 WeakPolarHBondContact O-CD2 3.34Å; A190-L289 HydrophobicContact CB-CD1 4.33Å; S285-L289 WeakPolarHBondContact O-CB 3.5Å; S285-L289 PolarHBondContact O-N 2.8Å; Q286-L289 PolarHBondContact O-N 2.98Å; A287-L289 PolarHBondContact O-N 3.09Å; L289-L292 PolarHBondContact O-N 3.29Å; L289-R293 HydrophobicContact CD1-CG 4.47Å; L289-R293 WeakPolarHBondContact O-CG 3.18Å; L289-R293 PolarHBondContact O-N 2.52Å
290	Q	97.9	Very high	97.2	Very high	107 Å²	107	59 Å²	59	50%	0.5	30%	0.302	S	S	.	.	H	α-helix	trans	-63.4	-48.8	178	-177.9	174.7	-14.1	0	0	111	Q286 A287 L288 L292 R293 E294	Q286-Q290 PolarHBondContact O-N 3.27Å; A287-Q290 PolarHBondContact O-N 3.19Å; L288-Q290 PolarHBondContact O-N 3.14Å; Q290-L292 VanDerWaalsContact C-N 3.34Å; Q290-L292 PolarHBondContact O-N 3.11Å; Q290-R293 WeakPolarHBondContact O-CB 3.44Å; Q290-R293 PolarHBondContact O-N 3.48Å; Q290-R293 VanDerWaalsContact O-N 3.12Å; Q290-E294 WeakPolarHBondContact CG-OE1 3.33Å; Q290-E294 PolarHBondContact NE2-OE1 3.48Å; Q290-E294 VanDerWaalsContact NE2-OE1 3.12Å; Q290-E294 WeakPolarHBondContact O-CG 3.09Å; Q290-E294 PolarHBondContact O-N 3.05Å; Q290-E294 VanDerWaalsContact O-N 3.17Å
291	C	98.1	Very high	97.2	Very high	19 Å²	19	55.6 Å²	55.6	13%	0.128	29%	0.286	C	S	.	.	H	α-helix	trans	-53.4	-49.3	174.8	162.7	0	0	0	0	111.8	C278 A287 L288 R293 E294 K295	C278-C291 WeakPolarHBondContact CA-SG 3.4Å; C278-C291 HydrophobicContact CB-CB 3.69Å; C278-C291 WeakPolarHBondContact CB-SG 3.25Å; C278-C291 WeakPolarHBondContact SG-CB 3.26Å; C278-C291 CovalentContact SG-SG 2.04Å; C278-C291 PolarHBondContact SG-SG 3.48Å; A287-C291 WeakPolarHBondContact O-CB 3.32Å; A287-C291 PolarHBondContact O-N 3.34Å; L288-C291 PolarHBondContact O-N 3.42Å; C291-R293 VanDerWaalsContact C-N 3.28Å; C291-R293 PolarHBondContact O-N 3.07Å; C291-E294 PolarHBondContact O-N 2.78Å; C291-K295 PolarHBondContact O-N 3.2Å; C291-K295 VanDerWaalsContact O-N 3.12Å; C291-K295 VanDerWaalsContact SG-CE 3.6Å
292	L	98.1	Very high	97.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-66.6	-27.3	-179.2	-67.8	-178.4	0	0	0	113.3	R71 F72 F183 I274 L288 L289 Q290 E294 K295 L300 L303	R71-L292 PolarHBondContact NH1-O 2.72Å; F72-L292 HydrophobicContact CE2-CB 3.59Å; F72-L292 HydrophobicContact CE2-CD1 4.48Å; F72-L292 HydrophobicContact CZ-CB 4.12Å; F183-L292 HydrophobicContact CD1-CD1 4.04Å; F183-L292 HydrophobicContact CD2-CD1 3.79Å; F183-L292 HydrophobicContact CE1-CD1 3.67Å; F183-L292 HydrophobicContact CE2-CD1 3.41Å; F183-L292 VanDerWaalsContact CE2-CD1 3.41Å; F183-L292 HydrophobicContact CG-CD1 4.1Å; F183-L292 HydrophobicContact CZ-CD1 3.34Å; I274-L292 HydrophobicContact CD1-CD2 4.37Å; I274-L292 HydrophobicContact CG2-CD1 3.85Å; I274-L292 HydrophobicContact CG2-CD2 4.17Å; I274-L292 HydrophobicContact CG2-CG 4.18Å; L288-L292 WeakPolarHBondContact O-CG 3.41Å; L288-L292 PolarHBondContact O-N 3.11Å; L289-L292 PolarHBondContact O-N 3.29Å; Q290-L292 VanDerWaalsContact C-N 3.34Å; Q290-L292 PolarHBondContact O-N 3.11Å; L292-E294 VanDerWaalsContact C-N 3.32Å; L292-K295 HydrophobicContact CD2-CD 4.04Å; L292-L300 HydrophobicContact CB-CD2 4.15Å; L292-L300 HydrophobicContact CD2-CD2 3.67Å; L292-L300 HydrophobicContact CG-CD2 4.45Å; L292-L303 HydrophobicContact CD2-CD1 4.01Å
293	R	98.3	Very high	97.4	Very high	61 Å²	61	52.7 Å²	52.7	23%	0.23	27%	0.269	C	S	.	.	H	α-helix	trans	-70.7	-28	172	-79	177.7	171.1	143.4	7	112.8	N69 R71 F72 L289 Q290 C291	N69-R293 PolarHBondContact O-NE 3.3Å; R71-R293 HydrophobicContact CB-CG 4.28Å; R71-R293 PolarHBondContact NH1-O 3.17Å; R71-R293 VanDerWaalsContact NH1-O 3.09Å; R71-R293 PolarHBondContact O-NE 3.22Å; R71-R293 PolarHBondContact O-NH2 2.9Å; F72-R293 HydrophobicContact CD2-CG 4.19Å; F72-R293 PolarHBondContact O-NH2 3.01Å; L289-R293 HydrophobicContact CD1-CG 4.47Å; L289-R293 WeakPolarHBondContact O-CG 3.18Å; L289-R293 PolarHBondContact O-N 2.52Å; Q290-R293 WeakPolarHBondContact O-CB 3.44Å; Q290-R293 PolarHBondContact O-N 3.48Å; Q290-R293 VanDerWaalsContact O-N 3.12Å; C291-R293 VanDerWaalsContact C-N 3.28Å; C291-R293 PolarHBondContact O-N 3.07Å
294	E	97.7	Very high	97.4	Very high	143 Å²	143	48.5 Å²	48.5	67%	0.668	24%	0.24	S	C	*	.	H	α-helix	trans	-83.8	-23.3	178.4	-67.5	173.7	-168.8	0	0	112.9	Q290 C291 L292	Q290-E294 WeakPolarHBondContact CG-OE1 3.33Å; Q290-E294 PolarHBondContact NE2-OE1 3.48Å; Q290-E294 VanDerWaalsContact NE2-OE1 3.12Å; Q290-E294 WeakPolarHBondContact O-CG 3.09Å; Q290-E294 PolarHBondContact O-N 3.05Å; Q290-E294 VanDerWaalsContact O-N 3.17Å; C291-E294 PolarHBondContact O-N 2.78Å; L292-E294 VanDerWaalsContact C-N 3.32Å
295	K	97.9	Very high	97.2	Very high	33 Å²	33	49.5 Å²	49.5	14%	0.143	24%	0.241	C	C	.	.	S	Bend	trans	-63.3	149.9	176.6	-71.9	-168.6	-173.4	-59.5	0	112.9	R71 A277 C291 L292 E299 L300 L303	R71-K295 PolarHBondContact NH1-O 3.28Å; R71-K295 PolarHBondContact NH2-O 2.99Å; A277-K295 WeakPolarHBondContact O-CE 3.24Å; A277-K295 PolarHBondContact O-NZ 3.47Å; C291-K295 PolarHBondContact O-N 3.2Å; C291-K295 VanDerWaalsContact O-N 3.12Å; C291-K295 VanDerWaalsContact SG-CE 3.6Å; L292-K295 HydrophobicContact CD2-CD 4.04Å; K295-E299 HydrophobicContact CB-CB 4.23Å; K295-E299 HydrophobicContact CD-CB 4.3Å; K295-L300 HydrophobicContact CB-CD2 4.04Å; K295-L300 HydrophobicContact CB-CG 4.08Å; K295-L300 HydrophobicContact CD-CD2 4.3Å; K295-L303 HydrophobicContact CD-CD1 3.77Å
296	S	98.2	Very high	97.1	Very high	54 Å²	54	55.9 Å²	55.9	38%	0.378	27%	0.267	S	S	.	.			trans	-68.5	156.7	170.6	68.8	0	0	0	0	111.7	W298 E299 L300	S296-W298 PolarHBondContact O-N 2.88Å; S296-E299 VanDerWaalsContact CB-OE2 3.27Å; S296-E299 WeakPolarHBondContact CB-OE2 3.33Å; S296-E299 PolarHBondContact N-OE2 3.4Å; S296-E299 PolarHBondContact O-N 3.06Å; S296-E299 VanDerWaalsContact OG-CG 3.29Å; S296-E299 WeakPolarHBondContact OG-CG 3.47Å; S296-E299 PolarHBondContact OG-N 3.02Å; S296-E299 PolarHBondContact OG-OE2 2.98Å; S296-L300 PolarHBondContact O-N 2.75Å; S296-L300 VanDerWaalsContact O-N 3.07Å
297	S	98	Very high	96.8	Very high	29 Å²	29	50.6 Å²	50.6	20%	0.203	24%	0.242	C	C	.	.	H	α-helix	trans	-57.3	-35.2	177.3	-34.9	0	0	0	0	112.1	F95 E119 F180 L300 L301	F95-S297 VanDerWaalsContact CE1-C 3.48Å; F95-S297 VanDerWaalsContact CE1-O 3.31Å; F95-S297 WeakPolarHBondContact CE1-O 3.25Å; F95-S297 VanDerWaalsContact CE2-CB 3.43Å; F95-S297 VanDerWaalsContact CZ-CB 3.43Å; E119-S297 VanDerWaalsContact OE1-CB 3.27Å; E119-S297 WeakPolarHBondContact OE1-CB 2.95Å; E119-S297 PolarHBondContact OE1-OG 3.27Å; F180-S297 WeakPolarHBondContact CZ-O 3.31Å; S297-L300 PolarHBondContact O-N 3.3Å; S297-L301 WeakPolarHBondContact O-CB 3.43Å; S297-L301 PolarHBondContact O-N 3.28Å
298	W	97.6	Very high	96.2	Very high	140 Å²	140	56.8 Å²	56.8	53%	0.53	27%	0.266	S	S	.	.	H	α-helix	trans	-69.9	-41.2	177.8	-81.8	108.4	0	0	0	113.2	F95 M117 S296 L300 L301 N302	F95-W298 HydrophobicContact CE1-CD2 4.27Å; F95-W298 HydrophobicContact CE1-CG 4.41Å; F95-W298 AromaticContact CZ-CD1 3.87Å; F95-W298 AromaticContact CZ-CD2 3.92Å; F95-W298 HydrophobicContact CZ-CD2 3.92Å; F95-W298 AromaticContact CZ-CE2 3.93Å; F95-W298 AromaticContact CZ-CG 3.94Å; F95-W298 HydrophobicContact CZ-CG 3.94Å; F95-W298 AromaticContact CZ-NE1 3.85Å; M117-W298 HydrophobicContact CE-CH2 3.61Å; M117-W298 HydrophobicContact CE-CZ2 3.19Å; S296-W298 PolarHBondContact O-N 2.88Å; W298-L300 VanDerWaalsContact C-N 3.31Å; W298-L301 HydrophobicContact CE3-CD2 4.07Å; W298-L301 HydrophobicContact CZ3-CD2 3.99Å; W298-L301 PolarHBondContact O-N 3.31Å; W298-N302 WeakPolarHBondContact O-CB 3.46Å; W298-N302 VanDerWaalsContact O-CG 3.3Å; W298-N302 PolarHBondContact O-N 3.28Å; W298-N302 PolarHBondContact O-ND2 2.65Å
299	E	97.9	Very high	95.4	Very high	90 Å²	90	57 Å²	57	42%	0.421	27%	0.268	S	S	.	.	H	α-helix	trans	-61.5	-43.9	174.2	-72.8	167.4	99.6	0	0	110.7	K295 S296 N302 L303	K295-E299 HydrophobicContact CB-CB 4.23Å; K295-E299 HydrophobicContact CD-CB 4.3Å; S296-E299 VanDerWaalsContact CB-OE2 3.27Å; S296-E299 WeakPolarHBondContact CB-OE2 3.33Å; S296-E299 PolarHBondContact N-OE2 3.4Å; S296-E299 PolarHBondContact O-N 3.06Å; S296-E299 VanDerWaalsContact OG-CG 3.29Å; S296-E299 WeakPolarHBondContact OG-CG 3.47Å; S296-E299 PolarHBondContact OG-N 3.02Å; S296-E299 PolarHBondContact OG-OE2 2.98Å; E299-N302 PolarHBondContact O-N 2.94Å; E299-L303 WeakPolarHBondContact O-CG 3.22Å; E299-L303 PolarHBondContact O-N 2.88Å
300	L	97.8	Very high	95	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.2	-46.9	175.8	-69	-178.8	0	0	0	112.3	R71 F72 I179 F180 L292 K295 S296 S297 W298 N302 L303 G304	R71-L300 VanDerWaalsContact CD-CD1 3.44Å; R71-L300 VanDerWaalsContact CZ-CD1 3.44Å; R71-L300 VanDerWaalsContact NH1-CD1 3.3Å; F72-L300 HydrophobicContact CZ-CD1 4.01Å; F72-L300 HydrophobicContact CZ-CD2 4.32Å; I179-L300 HydrophobicContact CD1-CD2 4.49Å; I179-L300 HydrophobicContact CG2-CB 4.07Å; I179-L300 WeakPolarHBondContact CG2-O 3.44Å; F180-L300 HydrophobicContact CD1-CD1 4.17Å; F180-L300 HydrophobicContact CE1-CB 3.96Å; F180-L300 HydrophobicContact CE1-CD1 3.53Å; F180-L300 HydrophobicContact CE1-CG 4.42Å; F180-L300 HydrophobicContact CE2-CB 4.43Å; F180-L300 HydrophobicContact CZ-CB 3.71Å; F180-L300 HydrophobicContact CZ-CD1 4.17Å; L292-L300 HydrophobicContact CB-CD2 4.15Å; L292-L300 HydrophobicContact CD2-CD2 3.67Å; L292-L300 HydrophobicContact CG-CD2 4.45Å; K295-L300 HydrophobicContact CB-CD2 4.04Å; K295-L300 HydrophobicContact CB-CG 4.08Å; K295-L300 HydrophobicContact CD-CD2 4.3Å; S296-L300 PolarHBondContact O-N 2.75Å; S296-L300 VanDerWaalsContact O-N 3.07Å; S297-L300 PolarHBondContact O-N 3.3Å; W298-L300 VanDerWaalsContact C-N 3.31Å; L300-N302 PolarHBondContact O-N 2.95Å; L300-L303 HydrophobicContact CD2-CD1 4.48Å; L300-L303 PolarHBondContact O-N 3.44Å; L300-L303 VanDerWaalsContact O-N 3.11Å; L300-G304 PolarHBondContact O-N 3.15Å
301	L	96.7	Very high	94.6	Very high	15 Å²	15	53 Å²	53	8%	0.079	25%	0.25	C	C	.	.	H	α-helix	trans	-57.5	-40.4	176.4	-178.5	64.1	0	0	0	111.6	F95 S297 W298 G304 K305	F95-L301 HydrophobicContact CD1-CB 4.13Å; F95-L301 HydrophobicContact CD1-CD2 4.18Å; F95-L301 HydrophobicContact CE1-CB 3.91Å; F95-L301 HydrophobicContact CE1-CD2 3.83Å; F95-L301 HydrophobicContact CE1-CG 4.45Å; S297-L301 WeakPolarHBondContact O-CB 3.43Å; S297-L301 PolarHBondContact O-N 3.28Å; W298-L301 HydrophobicContact CE3-CD2 4.07Å; W298-L301 HydrophobicContact CZ3-CD2 3.99Å; W298-L301 PolarHBondContact O-N 3.31Å; L301-G304 PolarHBondContact O-N 2.84Å; L301-K305 WeakPolarHBondContact O-CG 3.17Å; L301-K305 PolarHBondContact O-N 3.45Å; L301-K305 VanDerWaalsContact O-N 3.11Å
302	N	96.7	Very high	94.3	Very high	79 Å²	79	53 Å²	53	42%	0.422	25%	0.247	S	C	.	.	H	α-helix	trans	-70.5	-33.1	177.6	-72.8	-26.2	0	0	0	113	W298 E299 L300	W298-N302 WeakPolarHBondContact O-CB 3.46Å; W298-N302 VanDerWaalsContact O-CG 3.3Å; W298-N302 PolarHBondContact O-N 3.28Å; W298-N302 PolarHBondContact O-ND2 2.65Å; E299-N302 PolarHBondContact O-N 2.94Å; L300-N302 PolarHBondContact O-N 2.95Å
303	L	96.6	Very high	94	Very high	15 Å²	15	54 Å²	54	8%	0.079	25%	0.253	C	S	.	.	H	α-helix	trans	-66.9	-46.3	170.7	-71.6	170.5	0	0	0	110.9	I179 V273 I274 A277 L292 K295 E299 L300 K305 K306 T307	I179-L303 HydrophobicContact CD1-CB 4.16Å; V273-L303 HydrophobicContact CG1-CD2 4.37Å; I274-L303 HydrophobicContact CD1-CB 4.26Å; I274-L303 HydrophobicContact CD1-CD1 4.31Å; A277-L303 HydrophobicContact CB-CD1 4.06Å; A277-L303 HydrophobicContact CB-CD2 3.51Å; A277-L303 HydrophobicContact CB-CG 4.43Å; L292-L303 HydrophobicContact CD2-CD1 4.01Å; K295-L303 HydrophobicContact CD-CD1 3.77Å; E299-L303 WeakPolarHBondContact O-CG 3.22Å; E299-L303 PolarHBondContact O-N 2.88Å; L300-L303 HydrophobicContact CD2-CD1 4.48Å; L300-L303 PolarHBondContact O-N 3.44Å; L300-L303 VanDerWaalsContact O-N 3.11Å; L303-K305 PolarHBondContact O-N 2.93Å; L303-K306 WeakPolarHBondContact O-CA 3.33Å; L303-K306 WeakPolarHBondContact O-CB 3.44Å; L303-K306 PolarHBondContact O-N 3.2Å; L303-T307 PolarHBondContact O-N 3.26Å; L303-T307 VanDerWaalsContact O-N 3.15Å; L303-T307 PolarHBondContact O-OG1 3.41Å
304	G	94.3	Very high	93.8	Very high	4 Å²	4	53.9 Å²	53.9	4%	0.041	26%	0.259	C	S	.	.	H	α-helix	trans	-55.7	-33.9	175.9	0	0	0	0	0	113.3	L300 L301 K306 T307	L300-G304 PolarHBondContact O-N 3.15Å; L301-G304 PolarHBondContact O-N 2.84Å; G304-K306 VanDerWaalsContact C-N 3.26Å; G304-K306 PolarHBondContact O-N 3.33Å; G304-T307 WeakPolarHBondContact CA-OG1 3.03Å; G304-T307 PolarHBondContact O-N 2.99Å; G304-T307 PolarHBondContact O-OG1 2.81Å
305	K	92.4	Very high	93.6	Very high	96 Å²	96	48 Å²	48	42%	0.417	23%	0.233	S	C	.	.	H	α-helix	trans	-65.1	-28.5	173.9	-72.8	174	-177.8	178.7	0	113.6	L301 L303 K308	L301-K305 WeakPolarHBondContact O-CG 3.17Å; L301-K305 PolarHBondContact O-N 3.45Å; L301-K305 VanDerWaalsContact O-N 3.11Å; L303-K305 PolarHBondContact O-N 2.93Å; K305-K308 PolarHBondContact O-NZ 3.03Å
306	K	93.8	Very high	93.4	Very high	147 Å²	147	49.2 Å²	49.2	64%	0.639	25%	0.254	S	S	*	.	H	α-helix	trans	-89.7	-17.2	-178.5	-63.2	177.4	-177.5	-178.6	0	113.1	V273 L303 G304	V273-K306 HydrophobicContact CG1-CB 4.26Å; L303-K306 WeakPolarHBondContact O-CA 3.33Å; L303-K306 WeakPolarHBondContact O-CB 3.44Å; L303-K306 PolarHBondContact O-N 3.2Å; G304-K306 VanDerWaalsContact C-N 3.26Å; G304-K306 PolarHBondContact O-N 3.33Å
307	T	91.3	Very high	93.2	Very high	4 Å²	4	48.5 Å²	48.5	3%	0.025	25%	0.249	C	C	.	.			trans	-112.1	128	-178.4	57	0	0	0	0	110.3	D270 V273 I274 L303 G304 F310	D270-T307 HydrophobicContact CB-CG2 3.74Å; D270-T307 VanDerWaalsContact CG-CA 3.48Å; D270-T307 WeakPolarHBondContact OD1-CA 3.31Å; D270-T307 WeakPolarHBondContact OD2-CA 3.23Å; D270-T307 WeakPolarHBondContact OD2-CB 3.4Å; V273-T307 HydrophobicContact CB-CG2 4.29Å; V273-T307 HydrophobicContact CG1-CG2 4.18Å; I274-T307 HydrophobicContact CD1-CG2 4.34Å; L303-T307 PolarHBondContact O-N 3.26Å; L303-T307 VanDerWaalsContact O-N 3.15Å; L303-T307 PolarHBondContact O-OG1 3.41Å; G304-T307 WeakPolarHBondContact CA-OG1 3.03Å; G304-T307 PolarHBondContact O-N 2.99Å; G304-T307 PolarHBondContact O-OG1 2.81Å; T307-F310 HydrophobicContact CG2-CD2 4.47Å; T307-F310 HydrophobicContact CG2-CE2 3.84Å; T307-F310 WeakPolarHBondContact OG1-CD2 3.26Å; T307-F310 WeakPolarHBondContact OG1-CE2 3.41Å
308	K	84.6	Confident	93.1	Very high	148 Å²	148	47.1 Å²	47.1	64%	0.643	24%	0.239	S	C	*	.			trans	-113.3	-9	-176.9	-60	-60	179.2	-171.5	0	113.9	D270 K305	D270-K308 PolarHBondContact OD2-N 3.01Å; K305-K308 PolarHBondContact O-NZ 3.03Å
309	S	82.9	Confident	93.1	Very high	4 Å²	4	40.4 Å²	40.4	3%	0.028	21%	0.214	C	C	.	.			trans	-86.3	-8.9	-176.6	65.8	0	0	0	0	114.7	S262 D270 T311	S262-S309 VanDerWaalsContact OG-CA 3.23Å; S262-S309 WeakPolarHBondContact OG-CA 3.38Å; S262-S309 PolarHBondContact OG-O 2.84Å; D270-S309 VanDerWaalsContact CB-OG 3.25Å; D270-S309 WeakPolarHBondContact CB-OG 3.23Å; D270-S309 VanDerWaalsContact CG-OG 3.28Å; D270-S309 WeakPolarHBondContact OD2-CA 3Å; D270-S309 WeakPolarHBondContact OD2-CB 3.5Å; D270-S309 PolarHBondContact OD2-N 2.89Å; D270-S309 PolarHBondContact OD2-OG 3.11Å; S309-T311 VanDerWaalsContact C-N 3.31Å; S309-T311 PolarHBondContact O-N 2.95Å
310	F	87.9	Confident	93	Very high	14 Å²	14	39.1 Å²	39.1	6%	0.061	21%	0.213	C	C	.	.			trans	-79.9	83.5	176	-59.9	-44	0	0	0	110.5	I179 F182 F183 M271 I274 T307	I179-F310 HydrophobicContact CD1-CD2 4.49Å; I179-F310 HydrophobicContact CD1-CE2 4.34Å; I179-F310 HydrophobicContact CG1-CD2 4.19Å; I179-F310 HydrophobicContact CG1-CE2 4.45Å; F182-F310 HydrophobicContact CB-CB 4.28Å; F182-F310 VanDerWaalsContact CB-O 3.28Å; F182-F310 WeakPolarHBondContact CB-O 3.5Å; F183-F310 HydrophobicContact CD2-CD1 4.29Å; F183-F310 HydrophobicContact CD2-CD2 4.39Å; F183-F310 AromaticContact CD2-CE1 3.8Å; F183-F310 HydrophobicContact CD2-CE1 3.8Å; F183-F310 AromaticContact CD2-CE2 3.91Å; F183-F310 HydrophobicContact CD2-CE2 3.91Å; F183-F310 AromaticContact CD2-CZ 3.6Å; F183-F310 HydrophobicContact CD2-CZ 3.6Å; F183-F310 HydrophobicContact CE2-CE1 4.1Å; F183-F310 HydrophobicContact CE2-CE2 4.46Å; F183-F310 AromaticContact CE2-CZ 3.83Å; F183-F310 HydrophobicContact CE2-CZ 3.83Å; M271-F310 HydrophobicContact SD-CE1 4.05Å; M271-F310 HydrophobicContact SD-CZ 4.12Å; I274-F310 HydrophobicContact CD1-CE2 4.13Å; I274-F310 HydrophobicContact CD1-CZ 4.45Å; I274-F310 HydrophobicContact CG1-CE2 4.01Å; I274-F310 HydrophobicContact CG1-CZ 3.84Å; T307-F310 HydrophobicContact CG2-CD2 4.47Å; T307-F310 HydrophobicContact CG2-CE2 3.84Å; T307-F310 WeakPolarHBondContact OG1-CD2 3.26Å; T307-F310 WeakPolarHBondContact OG1-CE2 3.41Å
311	T	89.2	Confident	92.9	Very high	18 Å²	18	42.3 Å²	42.3	11%	0.11	23%	0.23	C	C	.	.	S	Bend	trans	-126.6	-160.7	176.9	-171.1	0	0	0	0	109.9	L260 S262 S309	L260-T311 WeakPolarHBondContact O-CG2 3.43Å; S262-T311 WeakPolarHBondContact OG-CG2 3.48Å; S309-T311 VanDerWaalsContact C-N 3.31Å; S309-T311 PolarHBondContact O-N 2.95Å
312	R	91.9	Very high	92.8	Very high	18 Å²	18	44.2 Å²	44.2	7%	0.068	24%	0.239	C	C	.	.			trans	-51.8	135.5	170	-176	-165.1	66.7	84.2	-3.9	111.5	F196 F319 E322 P323	F196-R312 HydrophobicContact CE2-CB 4.11Å; F196-R312 HydrophobicContact CE2-CG 3.95Å; F196-R312 HydrophobicContact CZ-CG 4.46Å; R312-F319 VanDerWaalsContact CD-CE2 3.44Å; R312-F319 HydrophobicContact CG-CD2 3.71Å; R312-F319 HydrophobicContact CG-CE2 3.25Å; R312-F319 HydrophobicContact CG-CZ 3.75Å; R312-E322 IonicContact CZ-OE2 3.57Å; R312-E322 IonicContact NH1-OE2 3.52Å; R312-E322 IonicContact NH2-OE2 2.74Å; R312-E322 PolarHBondContact NH2-OE2 2.88Å; R312-P323 VanDerWaalsContact CZ-CG 3.49Å
313	V	92.8	Very high	92.7	Very high	22 Å²	22	40.5 Å²	40.5	13%	0.133	22%	0.219	C	C	.	.			trans	-124.7	153.5	171.7	-64.6	0	0	0	0	112.3	N184 R191 N193 D315 F319	N184-V313 WeakPolarHBondContact ND2-CG1 3.28Å; R191-V313 WeakPolarHBondContact O-CG2 3.43Å; N193-V313 PolarHBondContact ND2-O 3.04Å; N193-V313 PolarHBondContact OD1-N 2.7Å; N193-V313 VanDerWaalsContact OD1-N 3.09Å; V313-D315 HydrophobicContact CG2-CB 4.46Å; V313-D315 PolarHBondContact O-N 3.4Å; V313-F319 WeakPolarHBondContact O-CD2 3.36Å
314	V	94.3	Very high	92.7	Very high	59 Å²	59	43.7 Å²	43.7	36%	0.358	24%	0.236	S	C	.	.			trans	-79.4	95.4	168.2	-179	0	0	0	0	107.8	F319 E322	V314-F319 WeakPolarHBondContact CG1-O 3.33Å; V314-E322 HydrophobicContact CG2-CG 4.17Å
315	D	92.8	Very high	92.8	Very high	20 Å²	20	47.2 Å²	47.2	11%	0.107	25%	0.251	C	S	.	.			trans	-90.8	-0.5	-173.5	70.9	-31.8	0	0	0	113.6	Y197 V313 S317 F318 F319	Y197-D315 PolarHBondContact OH-OD2 2.84Å; V313-D315 HydrophobicContact CG2-CB 4.46Å; V313-D315 PolarHBondContact O-N 3.4Å; D315-S317 PolarHBondContact O-N 3.09Å; D315-S317 PolarHBondContact OD1-N 2.9Å; D315-F318 WeakPolarHBondContact OD1-CA 3.38Å; D315-F318 PolarHBondContact OD1-N 3.19Å; D315-F318 PolarHBondContact OD2-N 3.07Å; D315-F318 VanDerWaalsContact OD2-N 3.15Å; D315-F319 PolarHBondContact N-O 2.93Å; D315-F319 PolarHBondContact OD1-N 3.31Å
316	G	93.4	Very high	93	Very high	57 Å²	57	43.1 Å²	43.1	59%	0.588	23%	0.234	S	C	*	.	S	Bend	trans	71.8	8.5	-176.8	0	0	0	0	0	113.9	F319	G316-F319 WeakPolarHBondContact CA-O 2.95Å; G316-F319 PolarHBondContact N-O 3.44Å
317	S	94.3	Very high	93.1	Very high	39 Å²	39	36.1 Å²	36.1	27%	0.273	20%	0.203	S	C	.	.	S	Bend	trans	-136.1	-70.6	-175	175.5	0	0	0	0	111.5	Y197 D315	Y197-S317 PolarHBondContact OH-OG 2.79Å; D315-S317 PolarHBondContact O-N 3.09Å; D315-S317 PolarHBondContact OD1-N 2.9Å
318	F	96.6	Very high	93.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-68.4	-47.5	173.1	-174.6	-78.1	0	0	0	110.4	F196 Y197 L200 L235 S238 L240 D315 P320	F196-F318 HydrophobicContact CB-CD1 4.28Å; F196-F318 HydrophobicContact CB-CD2 3.9Å; F196-F318 HydrophobicContact CB-CE1 3.99Å; F196-F318 HydrophobicContact CB-CE2 3.58Å; F196-F318 HydrophobicContact CB-CG 4.26Å; F196-F318 HydrophobicContact CB-CZ 3.63Å; F196-F318 HydrophobicContact CD1-CE1 4.37Å; F196-F318 HydrophobicContact CD1-CZ 4.19Å; F196-F318 HydrophobicContact CD2-CD1 4.44Å; F196-F318 HydrophobicContact CD2-CE1 4.27Å; F196-F318 HydrophobicContact CG-CD1 4.44Å; F196-F318 AromaticContact CG-CE1 3.97Å; F196-F318 HydrophobicContact CG-CE1 3.97Å; F196-F318 HydrophobicContact CG-CE2 4.4Å; F196-F318 AromaticContact CG-CZ 3.95Å; F196-F318 HydrophobicContact CG-CZ 3.95Å; Y197-F318 HydrophobicContact CE2-CB 4.19Å; L200-F318 HydrophobicContact CD1-CD2 3.6Å; L200-F318 HydrophobicContact CD1-CE2 3.67Å; L200-F318 HydrophobicContact CD2-CE2 4.44Å; L200-F318 HydrophobicContact CG-CD2 4.38Å; L200-F318 HydrophobicContact CG-CE2 3.95Å; L235-F318 HydrophobicContact CD2-CE2 3.97Å; L235-F318 HydrophobicContact CD2-CZ 3.98Å; L235-F318 HydrophobicContact CG-CZ 4.37Å; S238-F318 VanDerWaalsContact CB-O 3.26Å; S238-F318 WeakPolarHBondContact CB-O 3.44Å; S238-F318 PolarHBondContact OG-O 3.14Å; L240-F318 HydrophobicContact CD1-CB 4.17Å; L240-F318 HydrophobicContact CD1-CD2 4.33Å; D315-F318 WeakPolarHBondContact OD1-CA 3.38Å; D315-F318 PolarHBondContact OD1-N 3.19Å; D315-F318 PolarHBondContact OD2-N 3.07Å; D315-F318 VanDerWaalsContact OD2-N 3.15Å; F318-P320 WeakPolarHBondContact O-CD 3.36Å
319	F	96.2	Very high	93.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-109.9	99.6	166.8	-69.6	-70.9	0	0	0	108.7	F196 I237 R312 V313 V314 D315 G316 D321 P323 L326	F196-F319 AromaticContact CD2-CE2 3.95Å; F196-F319 HydrophobicContact CD2-CE2 3.95Å; F196-F319 AromaticContact CE2-CE2 3.75Å; F196-F319 HydrophobicContact CE2-CE2 3.75Å; F196-F319 HydrophobicContact CE2-CZ 4.34Å; F196-F319 HydrophobicContact CZ-CE2 4.36Å; I237-F319 HydrophobicContact CD1-CD1 4.46Å; I237-F319 HydrophobicContact CD1-CE1 3.97Å; I237-F319 HydrophobicContact CG1-CE1 4.1Å; R312-F319 VanDerWaalsContact CD-CE2 3.44Å; R312-F319 HydrophobicContact CG-CD2 3.71Å; R312-F319 HydrophobicContact CG-CE2 3.25Å; R312-F319 HydrophobicContact CG-CZ 3.75Å; V313-F319 WeakPolarHBondContact O-CD2 3.36Å; V314-F319 WeakPolarHBondContact CG1-O 3.33Å; D315-F319 PolarHBondContact N-O 2.93Å; D315-F319 PolarHBondContact OD1-N 3.31Å; G316-F319 WeakPolarHBondContact CA-O 2.95Å; G316-F319 PolarHBondContact N-O 3.44Å; F319-D321 PolarHBondContact O-N 3.32Å; F319-P323 HydrophobicContact CD1-CG 4.1Å; F319-P323 HydrophobicContact CE1-CG 3.96Å; F319-L326 HydrophobicContact CD1-CD1 4.4Å
320	P	95.8	Very high	94.5	Very high	62 Å²	62	40.8 Å²	40.8	40%	0.403	23%	0.23	S	C	.	.	S	Bend	trans	-64.5	-29.3	173.5	-22.5	34	0	0	0	113.3	P239 F318	P239-P320 HydrophobicContact CG-CG 3.72Å; F318-P320 WeakPolarHBondContact O-CD 3.36Å
321	D	96.1	Very high	94.7	Very high	67 Å²	67	44 Å²	44	36%	0.358	25%	0.251	S	S	.	.	S	Bend	trans	-150.5	-179.5	-179.6	-152.1	-22	0	0	0	109.6	F319 L326	F319-D321 PolarHBondContact O-N 3.32Å; D321-L326 HydrophobicContact CB-CD2 3.94Å; D321-L326 HydrophobicContact CB-CG 4.3Å
322	E	95.1	Very high	94.8	Very high	55 Å²	55	44.3 Å²	44.3	26%	0.257	25%	0.251	S	S	.	.			trans	-61.2	137.3	174.5	-73.6	-65	174.2	0	0	111.9	R312 V314 L324 E325 L326	R312-E322 IonicContact CZ-OE2 3.57Å; R312-E322 IonicContact NH1-OE2 3.52Å; R312-E322 IonicContact NH2-OE2 2.74Å; R312-E322 PolarHBondContact NH2-OE2 2.88Å; V314-E322 HydrophobicContact CG2-CG 4.17Å; E322-L324 PolarHBondContact O-N 2.9Å; E322-L324 VanDerWaalsContact O-N 3.12Å; E322-E325 HydrophobicContact CB-CB 4.49Å; E322-E325 HydrophobicContact CB-CG 4.24Å; E322-E325 WeakPolarHBondContact O-CA 3.37Å; E322-E325 WeakPolarHBondContact O-CB 3.41Å; E322-E325 PolarHBondContact O-N 2.96Å; E322-L326 PolarHBondContact O-N 3.11Å
323	P	95.7	Very high	94.7	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.013	28%	0.275	C	S	.	.	H	α-helix	trans	-52.7	-37.6	-178	-34.4	38.8	0	0	0	115.1	I237 A255 I256 R312 F319 E325 L326 L327	I237-P323 HydrophobicContact CD1-CB 3.53Å; I237-P323 HydrophobicContact CD1-CG 4.07Å; A255-P323 HydrophobicContact CB-CB 3.95Å; A255-P323 HydrophobicContact CB-CG 4.33Å; I256-P323 HydrophobicContact CG2-CB 3.88Å; R312-P323 VanDerWaalsContact CZ-CG 3.49Å; F319-P323 HydrophobicContact CD1-CG 4.1Å; F319-P323 HydrophobicContact CE1-CG 3.96Å; P323-E325 VanDerWaalsContact C-N 3.34Å; P323-L326 PolarHBondContact O-N 3.5Å; P323-L327 WeakPolarHBondContact O-CG 3.41Å; P323-L327 PolarHBondContact O-N 2.9Å
324	L	95.6	Very high	94.8	Very high	81 Å²	81	50 Å²	50	42%	0.424	28%	0.28	S	S	.	.	H	α-helix	trans	-67.2	-37.4	178.2	-176.4	60.6	0	0	0	111.7	I256 E322 L327 S328 Y422	I256-L324 HydrophobicContact CD1-CD1 4.4Å; I256-L324 HydrophobicContact CG2-CB 4.05Å; I256-L324 HydrophobicContact CG2-CD1 4.36Å; E322-L324 PolarHBondContact O-N 2.9Å; E322-L324 VanDerWaalsContact O-N 3.12Å; L324-L327 PolarHBondContact O-N 3.33Å; L324-S328 WeakPolarHBondContact O-CB 3.41Å; L324-S328 PolarHBondContact O-N 3.35Å; L324-S328 PolarHBondContact O-OG 2.85Å; L324-Y422 HydrophobicContact CD1-CE2 3.86Å
325	E	96.5	Very high	94.9	Very high	79 Å²	79	47.8 Å²	47.8	37%	0.369	27%	0.266	S	S	.	.	H	α-helix	trans	-68.5	-41.6	174.9	-66.2	-56	139.6	0	0	111.5	E322 P323 L327 S328 Q329	E322-E325 HydrophobicContact CB-CB 4.49Å; E322-E325 HydrophobicContact CB-CG 4.24Å; E322-E325 WeakPolarHBondContact O-CA 3.37Å; E322-E325 WeakPolarHBondContact O-CB 3.41Å; E322-E325 PolarHBondContact O-N 2.96Å; P323-E325 VanDerWaalsContact C-N 3.34Å; E325-L327 VanDerWaalsContact C-N 3.28Å; E325-L327 PolarHBondContact O-N 2.92Å; E325-S328 WeakPolarHBondContact CA-OG 3.09Å; E325-S328 PolarHBondContact O-N 3.23Å; E325-S328 PolarHBondContact O-OG 2.87Å; E325-S328 VanDerWaalsContact O-OG 3.13Å; E325-Q329 VanDerWaalsContact O-CB 3.26Å; E325-Q329 WeakPolarHBondContact O-CB 3.43Å; E325-Q329 VanDerWaalsContact O-CG 3.22Å; E325-Q329 WeakPolarHBondContact O-CG 3.41Å; E325-Q329 PolarHBondContact O-N 3.41Å; E325-Q329 PolarHBondContact OE2-NE2 3.28Å
326	L	96.5	Very high	95.2	Very high	9 Å²	9	48.3 Å²	48.3	5%	0.047	27%	0.271	C	S	.	.	H	α-helix	trans	-59.9	-40.7	175.5	-62.7	176.9	0	0	0	111.8	I237 F319 D321 E322 P323 K330 T331 F332	I237-L326 HydrophobicContact CB-CB 4.39Å; I237-L326 HydrophobicContact CB-CD1 4.28Å; I237-L326 HydrophobicContact CD1-CD1 4.14Å; I237-L326 HydrophobicContact CG1-CD1 4.15Å; F319-L326 HydrophobicContact CD1-CD1 4.4Å; D321-L326 HydrophobicContact CB-CD2 3.94Å; D321-L326 HydrophobicContact CB-CG 4.3Å; E322-L326 PolarHBondContact O-N 3.11Å; P323-L326 PolarHBondContact O-N 3.5Å; L326-K330 PolarHBondContact O-N 2.95Å; L326-T331 WeakPolarHBondContact CA-OG1 3.45Å; L326-T331 WeakPolarHBondContact CD2-OG1 3.24Å; L326-T331 PolarHBondContact O-N 3.22Å; L326-T331 VanDerWaalsContact O-N 3.09Å; L326-T331 PolarHBondContact O-OG1 2.71Å; L326-F332 WeakPolarHBondContact O-CD1 3.16Å
327	L	96.4	Very high	95.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-69.3	-47.5	176	-72.7	174.5	0	0	0	112.3	I237 I256 P323 L324 E325 Q329 K330 F332 T419 Y422	I237-L327 HydrophobicContact CG2-CD2 3.78Å; I237-L327 HydrophobicContact CG2-CG 4.25Å; I256-L327 HydrophobicContact CD1-CD1 4.37Å; I256-L327 HydrophobicContact CG2-CD1 3.64Å; P323-L327 WeakPolarHBondContact O-CG 3.41Å; P323-L327 PolarHBondContact O-N 2.9Å; L324-L327 PolarHBondContact O-N 3.33Å; E325-L327 VanDerWaalsContact C-N 3.28Å; E325-L327 PolarHBondContact O-N 2.92Å; L327-Q329 PolarHBondContact O-N 2.99Å; L327-K330 PolarHBondContact O-N 2.99Å; L327-F332 HydrophobicContact CD2-CD1 4.3Å; L327-F332 HydrophobicContact CD2-CE1 3.73Å; L327-F332 HydrophobicContact CD2-CZ 3.9Å; L327-T419 HydrophobicContact CD1-CG2 4.39Å; L327-Y422 HydrophobicContact CB-CD2 3.8Å; L327-Y422 HydrophobicContact CB-CE2 4.38Å; L327-Y422 HydrophobicContact CB-CG 3.89Å; L327-Y422 HydrophobicContact CD1-CD2 4.3Å
328	S	95.9	Very high	95.7	Very high	46 Å²	46	43.8 Å²	43.8	32%	0.322	23%	0.23	S	C	.	.	H	α-helix	trans	-65.7	-39.9	-176.4	73.8	0	0	0	0	112.4	L324 E325 K330	L324-S328 WeakPolarHBondContact O-CB 3.41Å; L324-S328 PolarHBondContact O-N 3.35Å; L324-S328 PolarHBondContact O-OG 2.85Å; E325-S328 WeakPolarHBondContact CA-OG 3.09Å; E325-S328 PolarHBondContact O-N 3.23Å; E325-S328 PolarHBondContact O-OG 2.87Å; E325-S328 VanDerWaalsContact O-OG 3.13Å; S328-K330 VanDerWaalsContact C-N 3.27Å; S328-K330 PolarHBondContact O-N 2.88Å
329	Q	95.8	Very high	95.8	Very high	106 Å²	106	43.8 Å²	43.8	50%	0.495	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-7.6	178	-59.5	173.1	18	0	0	112.6	E325 L327 T331	E325-Q329 VanDerWaalsContact O-CB 3.26Å; E325-Q329 WeakPolarHBondContact O-CB 3.43Å; E325-Q329 VanDerWaalsContact O-CG 3.22Å; E325-Q329 WeakPolarHBondContact O-CG 3.41Å; E325-Q329 PolarHBondContact O-N 3.41Å; E325-Q329 PolarHBondContact OE2-NE2 3.28Å; L327-Q329 PolarHBondContact O-N 2.99Å; Q329-T331 VanDerWaalsContact C-N 3.25Å; Q329-T331 HydrophobicContact CB-CG2 3.76Å; Q329-T331 PolarHBondContact O-N 3.48Å
330	K	95	Very high	95.9	Very high	102 Å²	102	43.9 Å²	43.9	44%	0.443	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	38.8	-178.7	-51.2	-180	-178.1	177.4	0	112.4	L326 L327 S328 F332 D425 S426	L326-K330 PolarHBondContact O-N 2.95Å; L327-K330 PolarHBondContact O-N 2.99Å; S328-K330 VanDerWaalsContact C-N 3.27Å; S328-K330 PolarHBondContact O-N 2.88Å; K330-F332 PolarHBondContact O-N 3.08Å; K330-D425 WeakPolarHBondContact CE-O 3.45Å; K330-D425 PolarHBondContact NZ-O 2.92Å; K330-S426 WeakPolarHBondContact CG-OG 3.25Å
331	T	92.1	Very high	96	Very high	83 Å²	83	41 Å²	41	51%	0.509	21%	0.212	S	C	.	.			trans	-86.3	17	-176.4	51.3	0	0	0	0	113.3	L326 Q329	L326-T331 WeakPolarHBondContact CA-OG1 3.45Å; L326-T331 WeakPolarHBondContact CD2-OG1 3.24Å; L326-T331 PolarHBondContact O-N 3.22Å; L326-T331 VanDerWaalsContact O-N 3.09Å; L326-T331 PolarHBondContact O-OG1 2.71Å; Q329-T331 VanDerWaalsContact C-N 3.25Å; Q329-T331 HydrophobicContact CB-CG2 3.76Å; Q329-T331 PolarHBondContact O-N 3.48Å
332	F	92.5	Very high	96.2	Very high	23 Å²	23	37.8 Å²	37.8	10%	0.101	20%	0.195	C	C	.	.	S	Bend	trans	-114.4	162.6	177.7	67.8	-79.2	0	0	0	111.8	V236 I237 L326 L327 K330 A334 H423 S426	V236-F332 HydrophobicContact CG1-CD2 3.88Å; V236-F332 HydrophobicContact CG1-CE2 4.19Å; I237-F332 HydrophobicContact CB-CB 4.24Å; I237-F332 HydrophobicContact CG2-CB 4.27Å; I237-F332 HydrophobicContact CG2-CD1 4.39Å; I237-F332 HydrophobicContact CG2-CD2 4.41Å; I237-F332 HydrophobicContact CG2-CG 4.12Å; L326-F332 WeakPolarHBondContact O-CD1 3.16Å; L327-F332 HydrophobicContact CD2-CD1 4.3Å; L327-F332 HydrophobicContact CD2-CE1 3.73Å; L327-F332 HydrophobicContact CD2-CZ 3.9Å; K330-F332 PolarHBondContact O-N 3.08Å; F332-A334 HydrophobicContact CE2-CB 4.19Å; F332-A334 PolarHBondContact O-N 3.31Å; F332-H423 AromaticContact CZ-CD2 3.98Å; F332-S426 WeakPolarHBondContact CZ-OG 3.43Å
333	K	90.1	Very high	96.3	Very high	134 Å²	134	36.8 Å²	36.8	58%	0.583	19%	0.191	S	C	*	.			trans	-86.1	105.6	173.9	-175.2	-179.5	177.5	-172.7	0	109.4	V335	K333-V335 PolarHBondContact O-N 2.99Å
334	A	93.3	Very high	96.4	Very high	27 Å²	27	37.1 Å²	37.1	22%	0.223	19%	0.192	C	C	.	.			trans	-60.2	135.1	175.1	0	0	0	0	0	111.4	F332 A428	F332-A334 HydrophobicContact CE2-CB 4.19Å; F332-A334 PolarHBondContact O-N 3.31Å; A334-A428 HydrophobicContact CB-CB 3.62Å
335	V	97.3	Very high	96.5	Very high	11 Å²	11	33.3 Å²	33.3	7%	0.067	17%	0.172	C	C	.	.			trans	-126	152.7	172.9	-65.8	0	0	0	0	109	V236 F245 A248 K333 S337 A428	V236-V335 HydrophobicContact CG1-CG2 4.42Å; V236-V335 HydrophobicContact CG2-CG2 4.17Å; F245-V335 HydrophobicContact CD2-CG2 4.44Å; F245-V335 HydrophobicContact CE2-CG1 4.2Å; F245-V335 HydrophobicContact CE2-CG2 3.95Å; A248-V335 HydrophobicContact CB-CG2 4.05Å; K333-V335 PolarHBondContact O-N 2.99Å; V335-S337 PolarHBondContact O-N 3.42Å; V335-S337 PolarHBondContact O-OG 3.38Å; V335-A428 VanDerWaalsContact C-CB 3.5Å; V335-A428 WeakPolarHBondContact O-CB 3.32Å
336	P	98.7	Very high	96.5	Very high	32 Å²	32	29.9 Å²	29.9	21%	0.208	16%	0.157	C	C	.	.			trans	-48.2	129.9	169.2	-26.1	32.9	0	0	0	110.2	H246 R247 A248 P429 F495	H246-P336 WeakPolarHBondContact O-CD 3.39Å; R247-P336 WeakPolarHBondContact CA-O 3.41Å; R247-P336 HydrophobicContact CG-CB 4.33Å; A248-P336 PolarHBondContact N-O 2.91Å; P336-P429 CarbonylContact C-O 3.56Å; P336-P429 VanDerWaalsContact CA-O 3.27Å; P336-P429 WeakPolarHBondContact CA-O 3.2Å; P336-F495 VanDerWaalsContact C-CZ 3.48Å; P336-F495 HydrophobicContact CB-CE2 4.03Å; P336-F495 HydrophobicContact CB-CZ 4.06Å; P336-F495 WeakPolarHBondContact O-CZ 3.26Å
337	S	98.8	Very high	96.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	137.4	-173.4	-58.6	0	0	0	0	112	A248 V335 H423 P429 V430 Y431	A248-S337 CarbonylContact O-C 3.48Å; A248-S337 VanDerWaalsContact O-CA 3.23Å; A248-S337 WeakPolarHBondContact O-CA 3.36Å; V335-S337 PolarHBondContact O-N 3.42Å; V335-S337 PolarHBondContact O-OG 3.38Å; S337-H423 PolarHBondContact OG-ND1 2.88Å; S337-P429 PolarHBondContact N-O 2.83Å; S337-V430 CarbonylContact O-C 3.44Å; S337-V430 WeakPolarHBondContact O-CA 3.35Å; S337-Y431 PolarHBondContact O-N 2.79Å
338	I	98.9	Very high	96.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	132	157.2	-66.6	169.3	0	0	0	107	A248 I249 M250 Y431 Y433 F495 P501 W509	A248-I338 PolarHBondContact O-N 3.12Å; I249-I338 CarbonylContact C-O 3.58Å; I249-I338 VanDerWaalsContact CA-O 3.28Å; I249-I338 WeakPolarHBondContact CA-O 3.16Å; I249-I338 HydrophobicContact CB-CB 4.32Å; I249-I338 HydrophobicContact CD1-CD1 4.2Å; I249-I338 HydrophobicContact CG1-CB 4.11Å; I249-I338 HydrophobicContact CG1-CD1 4.27Å; I249-I338 HydrophobicContact CG2-CB 3.92Å; I249-I338 HydrophobicContact CG2-CG2 3.98Å; M250-I338 PolarHBondContact N-O 3.35Å; I338-Y431 CarbonylContact C-O 3.45Å; I338-Y431 VanDerWaalsContact CA-O 3.31Å; I338-Y431 WeakPolarHBondContact CA-O 3.38Å; I338-Y433 HydrophobicContact CG2-CD1 3.81Å; I338-Y433 HydrophobicContact CG2-CE1 3.98Å; I338-F495 HydrophobicContact CD1-CB 3.67Å; I338-F495 HydrophobicContact CD1-CD1 3.67Å; I338-F495 HydrophobicContact CD1-CD2 3.76Å; I338-F495 HydrophobicContact CD1-CE1 4.17Å; I338-F495 HydrophobicContact CD1-CE2 4.28Å; I338-F495 HydrophobicContact CD1-CG 3.41Å; I338-F495 VanDerWaalsContact CD1-CG 3.41Å; I338-F495 HydrophobicContact CD1-CZ 4.44Å; I338-F495 HydrophobicContact CG1-CD1 4.07Å; I338-F495 HydrophobicContact CG1-CD2 3.82Å; I338-F495 HydrophobicContact CG1-CE1 4.07Å; I338-F495 HydrophobicContact CG1-CE2 3.84Å; I338-F495 HydrophobicContact CG1-CG 3.92Å; I338-F495 HydrophobicContact CG1-CZ 3.94Å; I338-P501 HydrophobicContact CD1-CB 4.37Å; I338-W509 HydrophobicContact CD1-CH2 4.26Å; I338-W509 HydrophobicContact CD1-CZ3 4.48Å; I338-W509 HydrophobicContact CG2-CH2 3.77Å; I338-W509 HydrophobicContact CG2-CZ2 3.91Å
339	I	98.9	Very high	96.4	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.7	173.7	-57	171.8	0	0	0	106.9	M250 V254 T419 A420 V430 Y431 F432 Y433	M250-I339 HydrophobicContact CB-CG1 4.28Å; M250-I339 HydrophobicContact CB-CG2 4.44Å; M250-I339 HydrophobicContact CG-CG1 4.49Å; M250-I339 WeakPolarHBondContact O-CA 3.18Å; M250-I339 HydrophobicContact SD-CD1 4.29Å; M250-I339 HydrophobicContact SD-CG1 4.07Å; V254-I339 HydrophobicContact CG1-CG2 4.49Å; I339-T419 HydrophobicContact CD1-CG2 4.05Å; I339-A420 HydrophobicContact CD1-CB 3.9Å; I339-V430 HydrophobicContact CD1-CG1 4.4Å; I339-Y431 PolarHBondContact N-O 2.86Å; I339-F432 HydrophobicContact CB-CD2 3.96Å; I339-F432 HydrophobicContact CB-CE2 4.05Å; I339-F432 HydrophobicContact CG2-CD2 4.11Å; I339-F432 HydrophobicContact CG2-CE2 3.66Å; I339-F432 WeakPolarHBondContact O-CA 3.21Å; I339-F432 WeakPolarHBondContact O-CD2 3.44Å; I339-F432 WeakPolarHBondContact O-CG 3.47Å; I339-Y433 PolarHBondContact O-N 3.08Å; I339-Y433 VanDerWaalsContact O-N 3.11Å
340	G	98.7	Very high	96.3	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	171.1	176.7	0	0	0	0	0	114	M250 S252 Y433	M250-G340 PolarHBondContact O-N 2.98Å; S252-G340 WeakPolarHBondContact CA-O 3.26Å; S252-G340 PolarHBondContact N-O 3.19Å; G340-Y433 WeakPolarHBondContact CA-O 3.5Å
341	V	98.9	Very high	96.2	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.012	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	163.7	-177.8	-65.8	0	0	0	0	110	E345 F412 V413 F432 Y433 E434 F435 L531	V341-E345 VanDerWaalsContact CA-OE1 3.29Å; V341-E345 WeakPolarHBondContact CA-OE1 3.34Å; V341-E345 WeakPolarHBondContact CB-OE1 3.45Å; V341-F412 HydrophobicContact CG1-CB 4.34Å; V341-V413 HydrophobicContact CB-CG2 4.39Å; V341-V413 HydrophobicContact CG2-CG1 4.37Å; V341-V413 HydrophobicContact CG2-CG2 4.15Å; V341-F432 HydrophobicContact CG2-CE1 4.16Å; V341-F432 HydrophobicContact CG2-CZ 4.31Å; V341-Y433 PolarHBondContact N-O 3.18Å; V341-E434 HydrophobicContact CG2-CG 4.41Å; V341-E434 CarbonylContact O-C 3.14Å; V341-E434 VanDerWaalsContact O-CA 3.24Å; V341-E434 WeakPolarHBondContact O-CA 3.41Å; V341-F435 PolarHBondContact O-N 3.49Å; V341-L531 HydrophobicContact CG2-CD2 4.26Å
342	N	98.8	Very high	96.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	151.3	169.2	-59.1	-11.9	0	0	0	109.2	Q344 E345 F435 A452 D453 T455 E457	N342-Q344 PolarHBondContact O-N 3.14Å; N342-Q344 VanDerWaalsContact O-N 3.12Å; N342-E345 PolarHBondContact N-OE1 3.2Å; N342-E345 WeakPolarHBondContact O-CG 3.38Å; N342-F435 CarbonylContact C-O 3.51Å; N342-F435 WeakPolarHBondContact CA-O 3.41Å; N342-F435 WeakPolarHBondContact OD1-CB 3.48Å; N342-A452 HydrophobicContact CB-CB 4.29Å; N342-A452 WeakPolarHBondContact CB-O 3.41Å; N342-D453 PolarHBondContact ND2-O 3.12Å; N342-T455 PolarHBondContact ND2-N 3.2Å; N342-E457 PolarHBondContact ND2-OE2 3.17Å; N342-E457 PolarHBondContact OD1-OE2 3.14Å
343	N	98.1	Very high	95.9	Very high	33 Å²	33	25.4 Å²	25.4	18%	0.176	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-5.3	-174.3	72.2	-1.2	0	0	0	114.6	E434 F435 Q436 K451 A452	N343-E434 HydrophobicContact CB-CG 3.99Å; N343-F435 PolarHBondContact N-O 3.12Å; N343-Q436 HydrophobicContact CB-CG 4.04Å; N343-Q436 WeakPolarHBondContact ND2-CA 3.29Å; N343-Q436 WeakPolarHBondContact ND2-CB 3.49Å; N343-K451 WeakPolarHBondContact OD1-CB 3.39Å; N343-A452 WeakPolarHBondContact OD1-CB 3.43Å; N343-A452 PolarHBondContact OD1-N 3.37Å; N343-A452 PolarHBondContact OD1-O 3.05Å
344	Q	98	Very high	95.7	Very high	10 Å²	10	23.6 Å²	23.6	5%	0.047	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-150.4	63.9	172	-157.5	-178.7	19.1	0	0	112.4	N342 C346 G347 F449 V450 K451 A452 D453	N342-Q344 PolarHBondContact O-N 3.14Å; N342-Q344 VanDerWaalsContact O-N 3.12Å; Q344-C346 PolarHBondContact O-N 3.14Å; Q344-C346 VanDerWaalsContact O-N 3.12Å; Q344-G347 WeakPolarHBondContact O-CA 3.49Å; Q344-G347 PolarHBondContact O-N 3.03Å; Q344-F449 PolarHBondContact OE1-O 2.83Å; Q344-V450 VanDerWaalsContact OE1-CA 3.28Å; Q344-K451 HydrophobicContact CB-CB 4.01Å; Q344-A452 CarbonylContact C-O 3.59Å; Q344-A452 WeakPolarHBondContact CA-O 3.29Å; Q344-A452 PolarHBondContact N-O 3.33Å; Q344-D453 WeakPolarHBondContact O-CA 3.28Å
345	E	98	Very high	95.4	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-36.4	-179.5	-63.8	-75.8	-169.2	0	0	114.8	S252 V341 N342 F412 H454	S252-E345 WeakPolarHBondContact CB-OE1 3.47Å; S252-E345 PolarHBondContact OG-OE1 3.27Å; S252-E345 PolarHBondContact OG-OE2 3.09Å; V341-E345 VanDerWaalsContact CA-OE1 3.29Å; V341-E345 WeakPolarHBondContact CA-OE1 3.34Å; V341-E345 WeakPolarHBondContact CB-OE1 3.45Å; N342-E345 PolarHBondContact N-OE1 3.2Å; N342-E345 WeakPolarHBondContact O-CG 3.38Å; E345-F412 HydrophobicContact CB-CB 4.22Å; E345-F412 HydrophobicContact CB-CD2 3.41Å; E345-F412 VanDerWaalsContact CB-CD2 3.41Å; E345-F412 HydrophobicContact CB-CE2 3.99Å; E345-F412 HydrophobicContact CB-CG 3.96Å; E345-F412 HydrophobicContact CG-CB 3.69Å; E345-F412 HydrophobicContact CG-CD2 3.85Å; E345-F412 HydrophobicContact CG-CG 3.86Å; E345-H454 VanDerWaalsContact O-CB 3.27Å; E345-H454 WeakPolarHBondContact O-CB 3.32Å; E345-H454 WeakPolarHBondContact OE2-CA 3.33Å; E345-H454 IonicContact OE2-CE1 2.92Å; E345-H454 IonicContact OE2-CG 3.46Å; E345-H454 IonicContact OE2-ND1 3.6Å; E345-H454 PolarHBondContact OE2-ND1 3.36Å
346	C	96.6	Very high	95.1	Very high	6 Å²	6	25.3 Å²	25.3	4%	0.041	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	33.9	176.5	-64.7	0	0	0	0	111.6	Q344 P351 L404 F407	Q344-C346 PolarHBondContact O-N 3.14Å; Q344-C346 VanDerWaalsContact O-N 3.12Å; C346-P351 HydrophobicContact CB-CG 4.33Å; C346-P351 WeakPolarHBondContact O-CG 3.28Å; C346-L404 WeakPolarHBondContact O-CB 3.43Å; C346-L404 WeakPolarHBondContact O-CD2 3.41Å; C346-F407 HydrophobicContact CB-CB 4.01Å
347	G	95.8	Very high	94.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-73.8	-41.1	-175.9	0	0	0	0	0	113.5	Q344 D453	Q344-G347 WeakPolarHBondContact O-CA 3.49Å; Q344-G347 PolarHBondContact O-N 3.03Å; G347-D453 WeakPolarHBondContact CA-OD1 3.5Å; G347-D453 PolarHBondContact N-OD1 3.36Å; G347-D453 VanDerWaalsContact N-OD1 3.1Å
348	Y	95.4	Very high	94.2	Very high	26 Å²	26	30 Å²	30	10%	0.102	15%	0.147	C	C	.	.	S	Bend	trans	-150.8	-61.3	-173.6	-173	-106.2	0	0	0	115.1	L350 P351 M352 L359 M445 R446 P447 V450 D453	Y348-L350 PolarHBondContact O-N 2.98Å; Y348-P351 WeakPolarHBondContact O-CD 3.1Å; Y348-M352 HydrophobicContact CD2-CE 4.33Å; Y348-M352 HydrophobicContact CE2-CE 3.47Å; Y348-M352 VanDerWaalsContact CE2-CE 3.47Å; Y348-M352 WeakPolarHBondContact O-CB 3.44Å; Y348-M352 PolarHBondContact O-N 3.08Å; Y348-L359 HydrophobicContact CD2-CD1 3.99Å; Y348-L359 HydrophobicContact CE2-CD1 4.19Å; Y348-M445 HydrophobicContact CE1-SD 4.39Å; Y348-R446 HydrophobicContact CD1-CG 3.68Å; Y348-R446 HydrophobicContact CE1-CG 3.78Å; Y348-R446 HydrophobicContact CG-CG 4.13Å; Y348-P447 HydrophobicContact CD2-CG 4.31Å; Y348-P447 HydrophobicContact CE2-CG 4.15Å; Y348-V450 HydrophobicContact CD2-CG2 4.24Å; Y348-V450 HydrophobicContact CG-CG2 4.39Å; Y348-D453 WeakPolarHBondContact CB-OD2 3.36Å; Y348-D453 PolarHBondContact N-OD1 3.41Å
349	I	94.1	Very high	93.8	Very high	15 Å²	15	30.8 Å²	30.8	8%	0.077	15%	0.151	C	C	.	.	H	α-helix	trans	-62.6	-43.3	-167.4	-165.8	87	0	0	0	112.4	M107 L108 R353 D453 H454	M107-I349 HydrophobicContact CB-CD1 3.57Å; M107-I349 HydrophobicContact CE-CD1 3.4Å; M107-I349 HydrophobicContact CE-CG1 4.06Å; M107-I349 HydrophobicContact CG-CD1 4.42Å; M107-I349 HydrophobicContact SD-CD1 4.12Å; L108-I349 HydrophobicContact CD2-CD1 3.72Å; L108-I349 HydrophobicContact CD2-CG1 4.48Å; L108-I349 HydrophobicContact CG-CD1 4.04Å; I349-R353 PolarHBondContact O-N 3.23Å; I349-D453 VanDerWaalsContact CB-OD2 3.29Å; I349-D453 WeakPolarHBondContact CB-OD2 3.48Å; I349-D453 WeakPolarHBondContact CG2-OD2 3.47Å; I349-D453 PolarHBondContact N-OD2 3.22Å; I349-H454 HydrophobicContact CG2-CB 3.69Å
350	L	93.6	Very high	93.4	Very high	26 Å²	26	38.2 Å²	38.2	14%	0.136	19%	0.19	C	C	.	.	H	α-helix	trans	-71.6	-53.5	179.8	-63	177.7	0	0	0	111.3	Y348 M352 R353 D354 F412 H454	Y348-L350 PolarHBondContact O-N 2.98Å; L350-M352 VanDerWaalsContact C-N 3.31Å; L350-M352 PolarHBondContact O-N 2.83Å; L350-R353 PolarHBondContact O-N 2.04Å; L350-R353 VanDerWaalsContact O-N 3.14Å; L350-D354 PolarHBondContact O-N 2.85Å; L350-F412 HydrophobicContact CD1-CE2 3.57Å; L350-F412 HydrophobicContact CD1-CZ 3.59Å; L350-H454 HydrophobicContact CD1-CB 4.15Å; L350-H454 HydrophobicContact CG-CB 4.22Å
351	P	93.3	Very high	92.8	Very high	6 Å²	6	39 Å²	39	4%	0.039	20%	0.198	C	C	.	.	H	α-helix	trans	-59.1	-38.5	174.6	-21.7	29.3	0	0	0	113.5	C346 Y348 R353 D354 T355 P356 L359 L404	C346-P351 HydrophobicContact CB-CG 4.33Å; C346-P351 WeakPolarHBondContact O-CG 3.28Å; Y348-P351 WeakPolarHBondContact O-CD 3.1Å; P351-R353 PolarHBondContact O-N 3.1Å; P351-D354 PolarHBondContact O-N 3.12Å; P351-T355 CarbonylContact O-C 3.47Å; P351-T355 WeakPolarHBondContact O-CA 3.22Å; P351-T355 PolarHBondContact O-N 3.06Å; P351-P356 WeakPolarHBondContact O-CA 3.28Å; P351-L359 HydrophobicContact CB-CD2 3.97Å; P351-L359 HydrophobicContact CB-CG 4.21Å; P351-L359 HydrophobicContact CG-CD2 4.41Å; P351-L404 HydrophobicContact CB-CD2 4.34Å; P351-L404 HydrophobicContact CG-CD2 3.79Å
352	M	91.9	Very high	92.2	Very high	64 Å²	64	39.2 Å²	39.2	32%	0.315	20%	0.199	S	C	.	.	H	α-helix	trans	-60.1	-33.5	178.9	-176.4	61.3	77.3	0	0	112.3	M107 Y348 L350 P356 L359	M107-M352 HydrophobicContact CE-CG 4.49Å; M107-M352 HydrophobicContact SD-CB 4.17Å; M107-M352 HydrophobicContact SD-CG 3.58Å; M107-M352 VanDerWaalsContact SD-CG 3.58Å; Y348-M352 HydrophobicContact CD2-CE 4.33Å; Y348-M352 HydrophobicContact CE2-CE 3.47Å; Y348-M352 VanDerWaalsContact CE2-CE 3.47Å; Y348-M352 WeakPolarHBondContact O-CB 3.44Å; Y348-M352 PolarHBondContact O-N 3.08Å; L350-M352 VanDerWaalsContact C-N 3.31Å; L350-M352 PolarHBondContact O-N 2.83Å; M352-P356 HydrophobicContact SD-CB 4.04Å; M352-L359 HydrophobicContact CB-CD1 4.01Å; M352-L359 HydrophobicContact CE-CD1 3.5Å; M352-L359 HydrophobicContact SD-CD1 4.16Å
353	R	86.4	Confident	91.8	Very high	139 Å²	139	42.8 Å²	42.8	53%	0.525	22%	0.218	S	C	.	.	H	α-helix	trans	-78.8	-44.1	178.2	-171.8	-172.6	68.4	-168.4	-6.7	112.2	I349 L350 P351	I349-R353 PolarHBondContact O-N 3.23Å; L350-R353 PolarHBondContact O-N 2.04Å; L350-R353 VanDerWaalsContact O-N 3.14Å; P351-R353 PolarHBondContact O-N 3.1Å
354	D	85.9	Confident	91.5	Very high	96 Å²	96	44.3 Å²	44.3	51%	0.513	22%	0.224	S	C	.	.	H	α-helix	trans	-103.7	-33	-164.4	-59.9	-28.1	0	0	0	113.1	L350 P351	L350-D354 PolarHBondContact O-N 2.85Å; P351-D354 PolarHBondContact O-N 3.12Å
355	T	88	Confident	91.2	Very high	24 Å²	24	48.3 Å²	48.3	15%	0.147	25%	0.253	C	S	.	.			trans	-152.9	63.5	-175.2	57.1	0	0	0	0	111.8	P351 E357 I358 L370	P351-T355 CarbonylContact O-C 3.47Å; P351-T355 WeakPolarHBondContact O-CA 3.22Å; P351-T355 PolarHBondContact O-N 3.06Å; T355-E357 PolarHBondContact O-N 3.02Å; T355-E357 VanDerWaalsContact O-N 3.14Å; T355-I358 HydrophobicContact CG2-CD1 4.41Å; T355-I358 PolarHBondContact O-N 2.9Å; T355-I358 WeakPolarHBondContact OG1-CD1 3.42Å; T355-L370 HydrophobicContact CG2-CD2 4.39Å
356	P	90.5	Very high	90.8	Very high	49 Å²	49	51.5 Å²	51.5	32%	0.318	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-64.1	-22.5	-169.9	24	-34.2	0	0	0	113.5	P351 M352 I358 L359	P351-P356 WeakPolarHBondContact O-CA 3.28Å; M352-P356 HydrophobicContact SD-CB 4.04Å; P356-I358 PolarHBondContact O-N 3.37Å; P356-L359 WeakPolarHBondContact O-CB 3.48Å; P356-L359 PolarHBondContact O-N 2.79Å; P356-L359 VanDerWaalsContact O-N 3.15Å
357	E	88.3	Confident	90.7	Very high	129 Å²	129	51.2 Å²	51.2	60%	0.603	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-60.3	-30.6	179.5	-56.7	76.7	-164.9	0	0	111.9	T355 L359 L360	T355-E357 PolarHBondContact O-N 3.02Å; T355-E357 VanDerWaalsContact O-N 3.14Å; E357-L359 PolarHBondContact O-N 2.98Å; E357-L360 PolarHBondContact O-N 2.88Å
358	I	90.4	Very high	90.6	Very high	3 Å²	3	53 Å²	53	2%	0.015	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-58.9	-36.8	179.3	-60.5	178.2	0	0	0	110.9	T355 P356 L360 G361 L370 R400 L403 L404 F407	T355-I358 HydrophobicContact CG2-CD1 4.41Å; T355-I358 PolarHBondContact O-N 2.9Å; T355-I358 WeakPolarHBondContact OG1-CD1 3.42Å; P356-I358 PolarHBondContact O-N 3.37Å; I358-L360 PolarHBondContact O-N 3.02Å; I358-G361 PolarHBondContact O-N 2.91Å; I358-L370 HydrophobicContact CD1-CD1 3.62Å; I358-L370 HydrophobicContact CG1-CD1 3.79Å; I358-R400 HydrophobicContact CG2-CG 4.3Å; I358-R400 VanDerWaalsContact O-CG 3.28Å; I358-R400 WeakPolarHBondContact O-CG 3.45Å; I358-L403 HydrophobicContact CD1-CD2 4.05Å; I358-L403 HydrophobicContact CG1-CD2 4.4Å; I358-L403 HydrophobicContact CG2-CD2 4Å; I358-L404 HydrophobicContact CG2-CD2 3.6Å; I358-L404 HydrophobicContact CG2-CG 4.41Å; I358-F407 HydrophobicContact CD1-CE2 4.06Å
359	L	91	Very high	90.5	Very high	16 Å²	16	56 Å²	56	8%	0.084	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-64.7	-24.2	-174.9	-60.9	177.5	0	0	0	113	Y348 P351 M352 P356 E357 G361 R400 L404 F449	Y348-L359 HydrophobicContact CD2-CD1 3.99Å; Y348-L359 HydrophobicContact CE2-CD1 4.19Å; P351-L359 HydrophobicContact CB-CD2 3.97Å; P351-L359 HydrophobicContact CB-CG 4.21Å; P351-L359 HydrophobicContact CG-CD2 4.41Å; M352-L359 HydrophobicContact CB-CD1 4.01Å; M352-L359 HydrophobicContact CE-CD1 3.5Å; M352-L359 HydrophobicContact SD-CD1 4.16Å; P356-L359 WeakPolarHBondContact O-CB 3.48Å; P356-L359 PolarHBondContact O-N 2.79Å; P356-L359 VanDerWaalsContact O-N 3.15Å; E357-L359 PolarHBondContact O-N 2.98Å; L359-G361 VanDerWaalsContact C-N 3.27Å; L359-G361 PolarHBondContact O-N 3.47Å; L359-R400 WeakPolarHBondContact O-CD 3.39Å; L359-L404 HydrophobicContact CD2-CD1 4.28Å; L359-F449 HydrophobicContact CD2-CZ 4.23Å
360	L	89.1	Confident	90.4	Very high	157 Å²	157	56.7 Å²	56.7	82%	0.822	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-79.3	-9	178	-60.1	177.2	0	0	0	113.2	E357 I358	E357-L360 PolarHBondContact O-N 2.88Å; I358-L360 PolarHBondContact O-N 3.02Å
361	G	87.9	Confident	90.4	Very high	17 Å²	17	55.4 Å²	55.4	18%	0.175	30%	0.295	C	S	.	.			trans	110.7	142.5	-168.8	0	0	0	0	0	110.8	I358 L359 L396	I358-G361 PolarHBondContact O-N 2.91Å; L359-G361 VanDerWaalsContact C-N 3.27Å; L359-G361 PolarHBondContact O-N 3.47Å; G361-L396 WeakPolarHBondContact CA-O 3.32Å
362	S	85.9	Confident	90.4	Very high	6 Å²	6	58.3 Å²	58.3	4%	0.042	31%	0.308	C	S	.	.			trans	-128.3	141.9	-178.9	-71.9	0	0	0	0	110.4	L396 I399	S362-L396 PolarHBondContact N-O 3.13Å; S362-L396 VanDerWaalsContact N-O 3.13Å; S362-L396 WeakPolarHBondContact O-CA 3.47Å; S362-L396 WeakPolarHBondContact O-CD2 3.32Å; S362-I399 VanDerWaalsContact O-CB 3.25Å; S362-I399 WeakPolarHBondContact O-CB 3.32Å; S362-I399 VanDerWaalsContact O-CG2 3.26Å; S362-I399 WeakPolarHBondContact O-CG2 3.22Å
363	N	90.3	Very high	90.2	Very high	75 Å²	75	59.5 Å²	59.5	40%	0.401	32%	0.315	S	S	.	.			trans	-84.5	161	166.8	68.8	58.2	0	0	0	110	S365 V366 A367 L396	N363-S365 VanDerWaalsContact C-N 3.33Å; N363-S365 PolarHBondContact O-N 2.97Å; N363-S365 PolarHBondContact OD1-N 2.74Å; N363-V366 PolarHBondContact O-N 2.98Å; N363-V366 WeakPolarHBondContact OD1-CG2 3.44Å; N363-V366 PolarHBondContact OD1-N 3.29Å; N363-A367 WeakPolarHBondContact O-CB 3.46Å; N363-A367 PolarHBondContact O-N 3.21Å; N363-L396 HydrophobicContact CB-CD2 3.88Å
364	E	91.1	Very high	90.3	Very high	65 Å²	65	56.1 Å²	56.1	30%	0.304	31%	0.307	S	S	.	.	H	α-helix	trans	-59	-41	-175.3	-171.8	172	173	0	0	112.7	V366 A367 L368 F390 H394 I399	E364-V366 PolarHBondContact O-N 3.18Å; E364-A367 PolarHBondContact O-N 3.38Å; E364-L368 HydrophobicContact CG-CD1 3.91Å; E364-L368 HydrophobicContact CG-CG 4.29Å; E364-L368 WeakPolarHBondContact O-CB 3.45Å; E364-L368 VanDerWaalsContact O-CG 3.24Å; E364-L368 WeakPolarHBondContact O-CG 3.25Å; E364-L368 PolarHBondContact O-N 3.28Å; E364-F390 HydrophobicContact CG-CD2 4Å; E364-F390 HydrophobicContact CG-CE2 4.14Å; E364-H394 IonicContact OE2-CE1 3.6Å; E364-H394 IonicContact OE2-ND1 3.58Å; E364-H394 PolarHBondContact OE2-ND1 2.74Å; E364-I399 HydrophobicContact CB-CD1 4.47Å
365	S	91.3	Very high	90.5	Very high	94 Å²	94	52.6 Å²	52.6	66%	0.657	29%	0.288	S	S	*	.	H	α-helix	trans	-62.4	-43.2	179.3	-54.8	0	0	0	0	112.7	N363 N369	N363-S365 VanDerWaalsContact C-N 3.33Å; N363-S365 PolarHBondContact O-N 2.97Å; N363-S365 PolarHBondContact OD1-N 2.74Å; S365-N369 WeakPolarHBondContact O-CB 3.12Å; S365-N369 PolarHBondContact O-N 2.94Å
366	V	90.6	Very high	90.5	Very high	69 Å²	69	55.9 Å²	55.9	42%	0.418	30%	0.301	S	S	.	.	H	α-helix	trans	-65.6	-44.3	176.1	172.2	0	0	0	0	110.3	N363 E364 L368 N369 L370	N363-V366 PolarHBondContact O-N 2.98Å; N363-V366 WeakPolarHBondContact OD1-CG2 3.44Å; N363-V366 PolarHBondContact OD1-N 3.29Å; E364-V366 PolarHBondContact O-N 3.18Å; V366-L368 PolarHBondContact O-N 2.89Å; V366-N369 PolarHBondContact O-N 2.9Å; V366-L370 HydrophobicContact CG1-CD1 4.05Å; V366-L370 WeakPolarHBondContact O-CG 3.27Å; V366-L370 PolarHBondContact O-N 3.41Å
367	A	93.1	Very high	90.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.5	-45.2	178.2	0	0	0	0	0	112	N363 E364 N369 L370 I371 F390 I399 L403	N363-A367 WeakPolarHBondContact O-CB 3.46Å; N363-A367 PolarHBondContact O-N 3.21Å; E364-A367 PolarHBondContact O-N 3.38Å; A367-N369 PolarHBondContact O-N 2.96Å; A367-L370 PolarHBondContact O-N 3.26Å; A367-I371 VanDerWaalsContact O-CG1 3.28Å; A367-I371 WeakPolarHBondContact O-CG1 3.34Å; A367-I371 PolarHBondContact O-N 2.99Å; A367-F390 HydrophobicContact CB-CE2 4.07Å; A367-F390 HydrophobicContact CB-CZ 3.67Å; A367-I399 HydrophobicContact CB-CG2 3.66Å; A367-L403 HydrophobicContact CB-CD1 4.27Å; A367-L403 HydrophobicContact CB-CD2 3.83Å
368	L	94.4	Very high	90.7	Very high	36 Å²	36	50.1 Å²	50.1	19%	0.188	27%	0.274	C	S	.	.	H	α-helix	trans	-64.8	-38.2	177	-68.1	171.3	0	0	0	112.2	E364 V366 I371 H372 L382 A386 F390	E364-L368 HydrophobicContact CG-CD1 3.91Å; E364-L368 HydrophobicContact CG-CG 4.29Å; E364-L368 WeakPolarHBondContact O-CB 3.45Å; E364-L368 VanDerWaalsContact O-CG 3.24Å; E364-L368 WeakPolarHBondContact O-CG 3.25Å; E364-L368 PolarHBondContact O-N 3.28Å; V366-L368 PolarHBondContact O-N 2.89Å; L368-I371 HydrophobicContact CD2-CD1 4.37Å; L368-I371 PolarHBondContact O-N 3.07Å; L368-H372 PolarHBondContact O-N 2.79Å; L368-L382 HydrophobicContact CB-CD1 4.23Å; L368-L382 HydrophobicContact CD2-CB 3.96Å; L368-A386 HydrophobicContact CD2-CB 3.73Å; L368-F390 HydrophobicContact CD2-CE2 4.06Å; L368-F390 HydrophobicContact CG-CE2 4.3Å
369	N	93.1	Very high	90.9	Very high	89 Å²	89	54.3 Å²	54.3	48%	0.476	30%	0.3	S	S	.	.	H	α-helix	trans	-64.7	-40.2	174.8	-173.2	59.8	0	0	0	111.9	S365 V366 A367 H372 I373	S365-N369 WeakPolarHBondContact O-CB 3.12Å; S365-N369 PolarHBondContact O-N 2.94Å; V366-N369 PolarHBondContact O-N 2.9Å; A367-N369 PolarHBondContact O-N 2.96Å; N369-H372 WeakPolarHBondContact O-CB 3.29Å; N369-H372 PolarHBondContact O-N 2.89Å; N369-I373 WeakPolarHBondContact ND2-CD1 3.46Å; N369-I373 VanDerWaalsContact O-CG1 3.31Å; N369-I373 WeakPolarHBondContact O-CG1 3.49Å; N369-I373 PolarHBondContact O-N 3.2Å
370	L	92.1	Very high	91.1	Very high	30 Å²	30	58.5 Å²	58.5	16%	0.157	32%	0.319	C	S	.	.	H	α-helix	trans	-65.5	-42.3	175.1	-71.1	168	0	0	0	111.9	T355 I358 V366 A367 H372 I373 L374 L403 F407	T355-L370 HydrophobicContact CG2-CD2 4.39Å; I358-L370 HydrophobicContact CD1-CD1 3.62Å; I358-L370 HydrophobicContact CG1-CD1 3.79Å; V366-L370 HydrophobicContact CG1-CD1 4.05Å; V366-L370 WeakPolarHBondContact O-CG 3.27Å; V366-L370 PolarHBondContact O-N 3.41Å; A367-L370 PolarHBondContact O-N 3.26Å; L370-H372 VanDerWaalsContact C-N 3.3Å; L370-H372 PolarHBondContact O-N 2.82Å; L370-I373 PolarHBondContact O-N 2.74Å; L370-L374 WeakPolarHBondContact O-CB 3.42Å; L370-L374 WeakPolarHBondContact O-CG 3.37Å; L370-L374 PolarHBondContact O-N 3.47Å; L370-L403 HydrophobicContact CD1-CD2 4.23Å; L370-F407 HydrophobicContact CB-CZ 4.19Å
371	I	93.6	Very high	91.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-57.7	-45.4	173.7	-69.2	163.2	0	0	0	110.3	A367 L368 L375 I377 L382 V385 F390 L403 L406	A367-I371 VanDerWaalsContact O-CG1 3.28Å; A367-I371 WeakPolarHBondContact O-CG1 3.34Å; A367-I371 PolarHBondContact O-N 2.99Å; L368-I371 HydrophobicContact CD2-CD1 4.37Å; L368-I371 PolarHBondContact O-N 3.07Å; I371-L375 HydrophobicContact CG2-CD1 4.32Å; I371-L375 VanDerWaalsContact O-CB 3.28Å; I371-L375 WeakPolarHBondContact O-CB 3.15Å; I371-L375 PolarHBondContact O-N 3.07Å; I371-I377 HydrophobicContact CG2-CB 4.45Å; I371-I377 HydrophobicContact CG2-CG1 4.43Å; I371-L382 HydrophobicContact CB-CD2 4.1Å; I371-L382 HydrophobicContact CG2-CD2 3.57Å; I371-V385 HydrophobicContact CD1-CG1 4.2Å; I371-V385 HydrophobicContact CG2-CG1 4.26Å; I371-F390 HydrophobicContact CD1-CE2 4.48Å; I371-F390 HydrophobicContact CD1-CZ 3.92Å; I371-L403 HydrophobicContact CD1-CD1 4.05Å; I371-L403 HydrophobicContact CG1-CD1 3.88Å; I371-L406 HydrophobicContact CD1-CD1 3.66Å; I371-L406 HydrophobicContact CG1-CD1 4.07Å; I371-L406 HydrophobicContact CG1-CD2 4.3Å
372	H	93	Very high	91.7	Very high	67 Å²	67	51.3 Å²	51.3	31%	0.31	28%	0.277	S	S	.	.	H	α-helix	trans	-59.8	-48.5	177.4	176.8	55.4	0	0	0	112.4	L368 N369 L370 H376 I377 L382	L368-H372 PolarHBondContact O-N 2.79Å; N369-H372 WeakPolarHBondContact O-CB 3.29Å; N369-H372 PolarHBondContact O-N 2.89Å; L370-H372 VanDerWaalsContact C-N 3.3Å; L370-H372 PolarHBondContact O-N 2.82Å; H372-H376 WeakPolarHBondContact O-CA 3.43Å; H372-H376 PolarHBondContact O-N 2.92Å; H372-I377 PolarHBondContact ND1-O 2.78Å; H372-L382 HydrophobicContact CB-CD1 4.07Å; H372-L382 HydrophobicContact CB-CD2 4.18Å
373	I	88.8	Confident	92.1	Very high	88 Å²	88	56.9 Å²	56.9	45%	0.451	30%	0.302	S	S	.	.	H	α-helix	trans	-70.1	-47.7	-175.4	-68.8	167.8	0	0	0	111.2	N369 L370 H376	N369-I373 WeakPolarHBondContact ND2-CD1 3.46Å; N369-I373 VanDerWaalsContact O-CG1 3.31Å; N369-I373 WeakPolarHBondContact O-CG1 3.49Å; N369-I373 PolarHBondContact O-N 3.2Å; L370-I373 PolarHBondContact O-N 2.74Å; I373-H376 PolarHBondContact O-CE1 3.41Å; I373-H376 PolarHBondContact O-ND1 2.77Å
374	L	87.5	Confident	92.4	Very high	68 Å²	68	54.2 Å²	54.2	36%	0.356	29%	0.288	S	S	.	.	H	α-helix	trans	-83.7	-30.4	-170.5	-64.3	177.4	0	0	0	113.5	L370 F407	L370-L374 WeakPolarHBondContact O-CB 3.42Å; L370-L374 WeakPolarHBondContact O-CG 3.37Å; L370-L374 PolarHBondContact O-N 3.47Å; L374-F407 HydrophobicContact CB-CE1 4.4Å; L374-F407 HydrophobicContact CD1-CE1 4.08Å; L374-F407 HydrophobicContact CD1-CE2 4.16Å; L374-F407 HydrophobicContact CD1-CZ 3.7Å
375	L	89.9	Confident	92.6	Very high	22 Å²	22	51.1 Å²	51.1	12%	0.115	27%	0.274	C	S	.	.	H	α-helix	trans	-106.9	-0.9	-178.3	-53.4	-171.6	0	0	0	112.8	I371 I377 L406 F407 V410 F411 W539	I371-L375 HydrophobicContact CG2-CD1 4.32Å; I371-L375 VanDerWaalsContact O-CB 3.28Å; I371-L375 WeakPolarHBondContact O-CB 3.15Å; I371-L375 PolarHBondContact O-N 3.07Å; L375-I377 HydrophobicContact CB-CG1 3.86Å; L375-I377 PolarHBondContact O-N 2.8Å; L375-I377 VanDerWaalsContact O-N 3.07Å; L375-L406 HydrophobicContact CD1-CD2 3.63Å; L375-F407 HydrophobicContact CD1-CE1 4.44Å; L375-F407 HydrophobicContact CD2-CD1 4.48Å; L375-F407 HydrophobicContact CG-CE1 4.31Å; L375-V410 HydrophobicContact CD1-CB 4.34Å; L375-V410 HydrophobicContact CD1-CG1 4.08Å; L375-V410 HydrophobicContact CD1-CG2 3.97Å; L375-V410 HydrophobicContact CD2-CB 4.37Å; L375-V410 HydrophobicContact CD2-CG1 3.64Å; L375-V410 HydrophobicContact CG-CG1 4.49Å; L375-F411 HydrophobicContact CD2-CE1 3.72Å; L375-F411 HydrophobicContact CD2-CE2 4.32Å; L375-F411 HydrophobicContact CD2-CZ 3.53Å; L375-W539 HydrophobicContact CD1-CH2 4.03Å
376	H	88.9	Confident	92.8	Very high	94 Å²	94	47 Å²	47	44%	0.435	25%	0.246	S	C	.	.			trans	52.6	28.5	-177	-53.6	-61.3	0	0	0	113.9	E266 H372 I373 P378	E266-H376 IonicContact OE1-CE1 3.06Å; E266-H376 IonicContact OE1-NE2 2.72Å; H372-H376 WeakPolarHBondContact O-CA 3.43Å; H372-H376 PolarHBondContact O-N 2.92Å; I373-H376 PolarHBondContact O-CE1 3.41Å; I373-H376 PolarHBondContact O-ND1 2.77Å; H376-P378 WeakPolarHBondContact O-CD 3.28Å
377	I	91.2	Very high	93	Very high	16 Å²	16	51.7 Å²	51.7	8%	0.082	26%	0.26	C	S	.	.			trans	-74.8	121.9	176.5	-60.9	-58.1	0	0	0	108.7	I371 H372 L375 L382 V385 L543	I371-I377 HydrophobicContact CG2-CB 4.45Å; I371-I377 HydrophobicContact CG2-CG1 4.43Å; H372-I377 PolarHBondContact ND1-O 2.78Å; L375-I377 HydrophobicContact CB-CG1 3.86Å; L375-I377 PolarHBondContact O-N 2.8Å; L375-I377 VanDerWaalsContact O-N 3.07Å; I377-L382 HydrophobicContact CB-CD2 4.13Å; I377-L382 HydrophobicContact CG2-CD2 3.99Å; I377-V385 HydrophobicContact CG2-CG2 4.36Å; I377-L543 HydrophobicContact CD1-CD2 4.01Å
378	P	92.3	Very high	93.2	Very high	40 Å²	40	52.7 Å²	52.7	26%	0.26	27%	0.265	S	S	.	.			trans	-57.3	143.3	179	-23.5	31.7	0	0	0	112	H376 Q380 Y381 M547	H376-P378 WeakPolarHBondContact O-CD 3.28Å; P378-Q380 HydrophobicContact CB-CG 4.3Å; P378-Q380 PolarHBondContact O-N 3.12Å; P378-Q380 VanDerWaalsContact O-N 3.08Å; P378-Y381 HydrophobicContact CB-CD2 3.76Å; P378-Y381 HydrophobicContact CB-CE2 4.13Å; P378-Y381 HydrophobicContact CG-CD2 3.85Å; P378-Y381 HydrophobicContact CG-CE2 4.1Å; P378-Y381 PolarHBondContact O-N 2.87Å; P378-M547 HydrophobicContact CG-CE 4.24Å
379	T	94.1	Very high	93.3	Very high	92 Å²	92	51 Å²	51	56%	0.564	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-54.9	-35	-173.1	52.4	0	0	0	0	113.3	Y381 L382	T379-Y381 PolarHBondContact O-N 2.85Å; T379-L382 HydrophobicContact CG2-CD1 4.29Å; T379-L382 PolarHBondContact O-N 2.72Å
380	Q	93.9	Very high	93.3	Very high	103 Å²	103	46.9 Å²	46.9	48%	0.481	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-62.9	-21.2	176.7	69	-133.9	39.1	0	0	114.5	P378 H383	P378-Q380 HydrophobicContact CB-CG 4.3Å; P378-Q380 PolarHBondContact O-N 3.12Å; P378-Q380 VanDerWaalsContact O-N 3.08Å; Q380-H383 PolarHBondContact O-CE1 3.13Å; Q380-H383 PolarHBondContact O-ND1 2.99Å
381	Y	95.4	Very high	93.3	Very high	7 Å²	7	50.9 Å²	50.9	3%	0.027	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-103.5	-5.9	-179.2	-56.1	-63.3	0	0	0	113.5	P378 T379 H383 V384 I546 M547 S550	P378-Y381 HydrophobicContact CB-CD2 3.76Å; P378-Y381 HydrophobicContact CB-CE2 4.13Å; P378-Y381 HydrophobicContact CG-CD2 3.85Å; P378-Y381 HydrophobicContact CG-CE2 4.1Å; P378-Y381 PolarHBondContact O-N 2.87Å; T379-Y381 PolarHBondContact O-N 2.85Å; Y381-H383 PolarHBondContact O-N 2.88Å; Y381-H383 VanDerWaalsContact O-N 3.15Å; Y381-V384 VanDerWaalsContact O-CB 3.3Å; Y381-V384 WeakPolarHBondContact O-CB 3.4Å; Y381-V384 PolarHBondContact O-N 3.24Å; Y381-I546 HydrophobicContact CD1-CG2 4.17Å; Y381-I546 HydrophobicContact CE1-CG2 4.29Å; Y381-M547 HydrophobicContact CD1-CG 4.13Å; Y381-M547 HydrophobicContact CD2-CE 4.32Å; Y381-M547 HydrophobicContact CD2-CG 3.67Å; Y381-M547 HydrophobicContact CD2-SD 4.36Å; Y381-M547 HydrophobicContact CE1-CG 4.23Å; Y381-M547 HydrophobicContact CE2-CB 4.17Å; Y381-M547 HydrophobicContact CE2-CE 4.44Å; Y381-M547 HydrophobicContact CE2-CG 3.76Å; Y381-M547 HydrophobicContact CG-CG 3.86Å; Y381-M547 PolarHBondContact OH-O 2.93Å; Y381-S550 WeakPolarHBondContact OH-CB 3.4Å; Y381-S550 PolarHBondContact OH-OG 2.8Å
382	L	95.1	Very high	93	Very high	17 Å²	17	53.6 Å²	53.6	9%	0.089	28%	0.28	C	S	.	.	H	α-helix	trans	-57.9	-32.7	-179.8	-67.2	174.5	0	0	0	112.6	L368 I371 H372 I377 T379 V384 V385 A386	L368-L382 HydrophobicContact CB-CD1 4.23Å; L368-L382 HydrophobicContact CD2-CB 3.96Å; I371-L382 HydrophobicContact CB-CD2 4.1Å; I371-L382 HydrophobicContact CG2-CD2 3.57Å; H372-L382 HydrophobicContact CB-CD1 4.07Å; H372-L382 HydrophobicContact CB-CD2 4.18Å; I377-L382 HydrophobicContact CB-CD2 4.13Å; I377-L382 HydrophobicContact CG2-CD2 3.99Å; T379-L382 HydrophobicContact CG2-CD1 4.29Å; T379-L382 PolarHBondContact O-N 2.72Å; L382-V384 PolarHBondContact O-N 3.41Å; L382-V385 PolarHBondContact O-N 3.36Å; L382-A386 WeakPolarHBondContact O-CB 3.49Å; L382-A386 PolarHBondContact O-N 2.77Å
383	H	94.2	Very high	92.9	Very high	123 Å²	123	54.4 Å²	54.4	57%	0.569	28%	0.283	S	S	*	.	H	α-helix	trans	-61.6	-30.2	176.5	74	-84.5	0	0	0	113.2	Q380 Y381 K387	Q380-H383 PolarHBondContact O-CE1 3.13Å; Q380-H383 PolarHBondContact O-ND1 2.99Å; Y381-H383 PolarHBondContact O-N 2.88Å; Y381-H383 VanDerWaalsContact O-N 3.15Å; H383-K387 WeakPolarHBondContact O-CB 3.3Å; H383-K387 PolarHBondContact O-N 2.88Å
384	V	96	Very high	93	Very high	19 Å²	19	56.8 Å²	56.8	12%	0.115	29%	0.292	C	S	.	.	H	α-helix	trans	-68.6	-45.5	176.8	-177	0	0	0	0	109.6	Y381 L382 K387 E388 F538 L543 I546	Y381-V384 VanDerWaalsContact O-CB 3.3Å; Y381-V384 WeakPolarHBondContact O-CB 3.4Å; Y381-V384 PolarHBondContact O-N 3.24Å; L382-V384 PolarHBondContact O-N 3.41Å; V384-K387 PolarHBondContact O-N 2.54Å; V384-E388 PolarHBondContact O-N 3.42Å; V384-E388 VanDerWaalsContact O-N 3.13Å; V384-F538 HydrophobicContact CG1-CE2 3.91Å; V384-F538 HydrophobicContact CG1-CZ 4.22Å; V384-L543 HydrophobicContact CB-CD1 4.3Å; V384-L543 HydrophobicContact CG1-CD1 4.1Å; V384-I546 HydrophobicContact CG1-CD1 3.85Å; V384-I546 HydrophobicContact CG2-CG2 4.39Å
385	V	96.3	Very high	93.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.4	-45	176.9	-177.3	0	0	0	0	111	I371 I377 L382 K387 E388 Y389 L406 F538 W539 L543	I371-V385 HydrophobicContact CD1-CG1 4.2Å; I371-V385 HydrophobicContact CG2-CG1 4.26Å; I377-V385 HydrophobicContact CG2-CG2 4.36Å; L382-V385 PolarHBondContact O-N 3.36Å; V385-K387 VanDerWaalsContact C-N 3.32Å; V385-K387 PolarHBondContact O-N 2.7Å; V385-E388 PolarHBondContact O-N 3.12Å; V385-E388 VanDerWaalsContact O-N 3.15Å; V385-Y389 HydrophobicContact CG1-CD2 4.33Å; V385-Y389 PolarHBondContact O-N 3.17Å; V385-L406 HydrophobicContact CG1-CD1 3.52Å; V385-F538 HydrophobicContact CG2-CZ 4.33Å; V385-W539 HydrophobicContact CG1-CH2 4.08Å; V385-W539 HydrophobicContact CG1-CZ2 4.39Å; V385-W539 HydrophobicContact CG2-CH2 4.29Å; V385-L543 HydrophobicContact CG2-CD1 4.39Å; V385-L543 HydrophobicContact CG2-CD2 4.15Å
386	A	95.4	Very high	93.6	Very high	8 Å²	8	59.5 Å²	59.5	7%	0.066	31%	0.31	C	S	.	.	H	α-helix	trans	-59.3	-42.7	176.6	0	0	0	0	0	111.5	L368 L382 E388 F390 Q391	L368-A386 HydrophobicContact CD2-CB 3.73Å; L382-A386 WeakPolarHBondContact O-CB 3.49Å; L382-A386 PolarHBondContact O-N 2.77Å; A386-E388 VanDerWaalsContact C-N 3.31Å; A386-E388 PolarHBondContact O-N 2.86Å; A386-F390 HydrophobicContact CB-CD2 3.81Å; A386-F390 HydrophobicContact CB-CE2 4.27Å; A386-F390 WeakPolarHBondContact O-CA 3.4Å; A386-F390 VanDerWaalsContact O-CB 3.29Å; A386-F390 WeakPolarHBondContact O-CB 3.2Å; A386-F390 PolarHBondContact O-N 2.79Å; A386-Q391 PolarHBondContact O-N 3.17Å
387	K	95.3	Very high	93.9	Very high	167 Å²	167	58.4 Å²	58.4	73%	0.726	31%	0.31	S	S	*	.	H	α-helix	trans	-60.8	-41.2	176.2	-176.3	-179.2	178.5	-175.9	0	111.9	H383 V384 V385	H383-K387 WeakPolarHBondContact O-CB 3.3Å; H383-K387 PolarHBondContact O-N 2.88Å; V384-K387 PolarHBondContact O-N 2.54Å; V385-K387 VanDerWaalsContact C-N 3.32Å; V385-K387 PolarHBondContact O-N 2.7Å
388	E	96.2	Very high	94.1	Very high	20 Å²	20	60.3 Å²	60.3	9%	0.093	32%	0.32	C	S	.	.	H	α-helix	trans	-72.2	-41.6	-177.7	-177.1	56	-157.2	0	0	112.4	V384 V385 A386 Q391 R534 R535 F538	V384-E388 PolarHBondContact O-N 3.42Å; V384-E388 VanDerWaalsContact O-N 3.13Å; V385-E388 PolarHBondContact O-N 3.12Å; V385-E388 VanDerWaalsContact O-N 3.15Å; A386-E388 VanDerWaalsContact C-N 3.31Å; A386-E388 PolarHBondContact O-N 2.86Å; E388-Q391 PolarHBondContact O-NE2 2.88Å; E388-R534 IonicContact OE1-CZ 3.92Å; E388-R534 IonicContact OE1-NE 3.09Å; E388-R534 PolarHBondContact OE1-NE 2.59Å; E388-R534 IonicContact OE1-NH2 2.76Å; E388-R534 IonicContact OE2-CZ 3.72Å; E388-R534 IonicContact OE2-NE 3.91Å; E388-R534 IonicContact OE2-NH2 3.48Å; E388-R534 PolarHBondContact OE2-NH2 2.93Å; E388-R535 PolarHBondContact O-NH1 2.96Å; E388-R535 IonicContact OE1-CZ 3.76Å; E388-R535 IonicContact OE1-NH1 2.79Å; E388-R535 PolarHBondContact OE1-NH1 3Å; E388-F538 HydrophobicContact CB-CD2 4.14Å; E388-F538 HydrophobicContact CB-CE1 4.22Å; E388-F538 HydrophobicContact CB-CE2 3.77Å; E388-F538 HydrophobicContact CB-CZ 3.81Å; E388-F538 HydrophobicContact CG-CB 4.37Å; E388-F538 HydrophobicContact CG-CD1 3.82Å; E388-F538 HydrophobicContact CG-CD2 3.67Å; E388-F538 HydrophobicContact CG-CE1 3.96Å; E388-F538 HydrophobicContact CG-CE2 3.8Å; E388-F538 HydrophobicContact CG-CG 3.66Å; E388-F538 HydrophobicContact CG-CZ 3.95Å
389	Y	96.1	Very high	94.2	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.008	31%	0.308	C	S	.	.	H	α-helix	trans	-96.3	-48.7	-175.8	-82.2	-91.8	0	0	0	114.8	V385 T402 L406 D409 F538 W539	V385-Y389 HydrophobicContact CG1-CD2 4.33Å; V385-Y389 PolarHBondContact O-N 3.17Å; Y389-T402 WeakPolarHBondContact O-CG2 3.34Å; Y389-L406 HydrophobicContact CD1-CB 3.54Å; Y389-L406 HydrophobicContact CD1-CD1 4.26Å; Y389-L406 HydrophobicContact CD1-CG 4.11Å; Y389-L406 HydrophobicContact CD2-CB 4.39Å; Y389-L406 HydrophobicContact CD2-CD1 3.77Å; Y389-L406 HydrophobicContact CD2-CG 4.04Å; Y389-L406 HydrophobicContact CE1-CB 3.65Å; Y389-L406 HydrophobicContact CE1-CG 4.15Å; Y389-L406 HydrophobicContact CE2-CB 4.46Å; Y389-L406 HydrophobicContact CE2-CD1 4.26Å; Y389-L406 HydrophobicContact CE2-CG 4.06Å; Y389-L406 HydrophobicContact CG-CB 3.94Å; Y389-L406 HydrophobicContact CG-CD1 3.76Å; Y389-L406 HydrophobicContact CG-CG 4.06Å; Y389-D409 VanDerWaalsContact CE1-OD2 3.31Å; Y389-D409 WeakPolarHBondContact CE1-OD2 3.07Å; Y389-D409 VanDerWaalsContact OH-CB 3.24Å; Y389-D409 WeakPolarHBondContact OH-CB 3.41Å; Y389-D409 PolarHBondContact OH-OD2 3.21Å; Y389-F538 HydrophobicContact CE2-CD1 4.5Å; Y389-F538 HydrophobicContact CE2-CE1 4.4Å; Y389-W539 HydrophobicContact CD2-CZ2 4.44Å; Y389-W539 AromaticContact CE2-CE2 3.88Å; Y389-W539 AromaticContact CE2-CZ2 3.64Å; Y389-W539 HydrophobicContact CE2-CZ2 3.64Å; Y389-W539 AromaticContact CE2-NE1 3.61Å; Y389-W539 AromaticContact CZ-NE1 3.66Å; Y389-W539 PolarHBondContact OH-NE1 3.25Å
390	F	94.6	Very high	94.3	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.009	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-28.1	-174.3	-54.5	-21.6	0	0	0	112.1	E364 A367 L368 I371 A386 G392 K393 I399 T402 L403	E364-F390 HydrophobicContact CG-CD2 4Å; E364-F390 HydrophobicContact CG-CE2 4.14Å; A367-F390 HydrophobicContact CB-CE2 4.07Å; A367-F390 HydrophobicContact CB-CZ 3.67Å; L368-F390 HydrophobicContact CD2-CE2 4.06Å; L368-F390 HydrophobicContact CG-CE2 4.3Å; I371-F390 HydrophobicContact CD1-CE2 4.48Å; I371-F390 HydrophobicContact CD1-CZ 3.92Å; A386-F390 HydrophobicContact CB-CD2 3.81Å; A386-F390 HydrophobicContact CB-CE2 4.27Å; A386-F390 WeakPolarHBondContact O-CA 3.4Å; A386-F390 VanDerWaalsContact O-CB 3.29Å; A386-F390 WeakPolarHBondContact O-CB 3.2Å; A386-F390 PolarHBondContact O-N 2.79Å; F390-G392 PolarHBondContact O-N 2.85Å; F390-G392 VanDerWaalsContact O-N 3.09Å; F390-K393 WeakPolarHBondContact O-CB 3.11Å; F390-K393 WeakPolarHBondContact O-CG 3.34Å; F390-K393 PolarHBondContact O-N 3.03Å; F390-I399 HydrophobicContact CB-CD1 3.86Å; F390-I399 HydrophobicContact CD1-CD1 3.97Å; F390-I399 HydrophobicContact CD2-CD1 3.8Å; F390-I399 HydrophobicContact CE1-CD1 4.48Å; F390-I399 HydrophobicContact CE2-CD1 4.34Å; F390-I399 HydrophobicContact CG-CD1 3.61Å; F390-I399 HydrophobicContact CZ-CG2 4.45Å; F390-T402 WeakPolarHBondContact CD1-OG1 3.35Å; F390-L403 HydrophobicContact CE1-CB 4.44Å
391	Q	91.6	Very high	94.4	Very high	113 Å²	113	52.8 Å²	52.8	53%	0.528	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	35.3	173.1	-58.8	-179.4	-0.1	0	0	114	A386 E388 K393	A386-Q391 PolarHBondContact O-N 3.17Å; E388-Q391 PolarHBondContact O-NE2 2.88Å; Q391-K393 VanDerWaalsContact C-N 3.29Å; Q391-K393 PolarHBondContact O-N 2.79Å
392	G	87.6	Confident	94.4	Very high	58 Å²	58	53 Å²	53	60%	0.598	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	13.1	-178.6	0	0	0	0	0	114.8	F390 H394	F390-G392 PolarHBondContact O-N 2.85Å; F390-G392 VanDerWaalsContact O-N 3.09Å; G392-H394 PolarHBondContact O-CD2 3.1Å; G392-H394 VanDerWaalsContact O-CD2 3.24Å; G392-H394 PolarHBondContact O-NE2 2.92Å
393	K	91	Very high	94.4	Very high	84 Å²	84	52.2 Å²	52.2	37%	0.365	27%	0.274	S	S	.	.			trans	-75	146.1	167.8	-60.1	179.3	-175.4	-171.8	0	109.8	F390 Q391 D398 I399	F390-K393 WeakPolarHBondContact O-CB 3.11Å; F390-K393 WeakPolarHBondContact O-CG 3.34Å; F390-K393 PolarHBondContact O-N 3.03Å; Q391-K393 VanDerWaalsContact C-N 3.29Å; Q391-K393 PolarHBondContact O-N 2.79Å; K393-D398 HydrophobicContact CB-CB 3.8Å; K393-D398 HydrophobicContact CD-CB 3.7Å; K393-D398 HydrophobicContact CG-CB 4.32Å; K393-D398 IonicContact NZ-OD1 3.42Å; K393-I399 WeakPolarHBondContact O-CD1 3.42Å
394	H	90.4	Very high	94.5	Very high	138 Å²	138	46.4 Å²	46.4	64%	0.639	25%	0.247	S	C	*	.			trans	-134.2	-4.3	-176.8	-58.3	-63.8	0	0	0	114	E364 G392	E364-H394 IonicContact OE2-CE1 3.6Å; E364-H394 IonicContact OE2-ND1 3.58Å; E364-H394 PolarHBondContact OE2-ND1 2.74Å; G392-H394 PolarHBondContact O-CD2 3.1Å; G392-H394 VanDerWaalsContact O-CD2 3.24Å; G392-H394 PolarHBondContact O-NE2 2.92Å
395	S	95.1	Very high	94.6	Very high	46 Å²	46	47.9 Å²	47.9	32%	0.322	25%	0.254	S	S	.	.	S	Bend	trans	-70.8	145.6	177.6	85.7	0	0	0	0	110.2	T397 D398 I399	S395-T397 PolarHBondContact O-N 3.03Å; S395-T397 PolarHBondContact OG-OG1 2.77Å; S395-T397 VanDerWaalsContact OG-OG1 3.11Å; S395-D398 WeakPolarHBondContact CB-OD2 3.24Å; S395-D398 PolarHBondContact O-N 3.11Å; S395-D398 WeakPolarHBondContact OG-CB 3.42Å; S395-D398 PolarHBondContact OG-N 2.88Å; S395-D398 PolarHBondContact OG-OD2 2.73Å; S395-I399 WeakPolarHBondContact O-CG1 3.28Å; S395-I399 PolarHBondContact O-N 3.03Å
396	L	94.9	Very high	94.6	Very high	100 Å²	100	47.9 Å²	47.9	52%	0.524	25%	0.254	S	S	.	.	H	α-helix	trans	-59	-33.2	-179.2	-62.3	177.8	0	0	0	112.5	G361 S362 N363 R400	G361-L396 WeakPolarHBondContact CA-O 3.32Å; S362-L396 PolarHBondContact N-O 3.13Å; S362-L396 VanDerWaalsContact N-O 3.13Å; S362-L396 WeakPolarHBondContact O-CA 3.47Å; S362-L396 WeakPolarHBondContact O-CD2 3.32Å; N363-L396 HydrophobicContact CB-CD2 3.88Å; L396-R400 WeakPolarHBondContact O-CB 3.48Å; L396-R400 PolarHBondContact O-N 3.45Å; L396-R400 VanDerWaalsContact O-N 3.08Å
397	T	95.1	Very high	94.7	Very high	72 Å²	72	47.9 Å²	47.9	44%	0.442	25%	0.252	S	S	.	.	H	α-helix	trans	-74.2	-42.6	178.1	46.8	0	0	0	0	112	S395 R400 D401	S395-T397 PolarHBondContact O-N 3.03Å; S395-T397 PolarHBondContact OG-OG1 2.77Å; S395-T397 VanDerWaalsContact OG-OG1 3.11Å; T397-R400 WeakPolarHBondContact O-CB 3.31Å; T397-R400 PolarHBondContact O-N 2.95Å; T397-D401 PolarHBondContact O-N 3.32Å
398	D	94.9	Very high	94.8	Very high	56 Å²	56	40.1 Å²	40.1	30%	0.299	22%	0.22	S	C	.	.	H	α-helix	trans	-64.5	-43.7	177.3	-76.6	-52.7	0	0	0	111.7	K393 S395 D401 T402	K393-D398 HydrophobicContact CB-CB 3.8Å; K393-D398 HydrophobicContact CD-CB 3.7Å; K393-D398 HydrophobicContact CG-CB 4.32Å; K393-D398 IonicContact NZ-OD1 3.42Å; S395-D398 WeakPolarHBondContact CB-OD2 3.24Å; S395-D398 PolarHBondContact O-N 3.11Å; S395-D398 WeakPolarHBondContact OG-CB 3.42Å; S395-D398 PolarHBondContact OG-N 2.88Å; S395-D398 PolarHBondContact OG-OD2 2.73Å; D398-D401 PolarHBondContact O-N 2.85Å; D398-T402 WeakPolarHBondContact O-CB 3.09Å; D398-T402 WeakPolarHBondContact O-CG2 3.4Å; D398-T402 PolarHBondContact O-N 2.83Å; D398-T402 PolarHBondContact O-OG1 3.33Å
399	I	95.6	Very high	94.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.8	-41.5	177.3	-65.7	-61.2	0	0	0	110.3	S362 E364 A367 F390 K393 S395 T402 L403	S362-I399 VanDerWaalsContact O-CB 3.25Å; S362-I399 WeakPolarHBondContact O-CB 3.32Å; S362-I399 VanDerWaalsContact O-CG2 3.26Å; S362-I399 WeakPolarHBondContact O-CG2 3.22Å; E364-I399 HydrophobicContact CB-CD1 4.47Å; A367-I399 HydrophobicContact CB-CG2 3.66Å; F390-I399 HydrophobicContact CB-CD1 3.86Å; F390-I399 HydrophobicContact CD1-CD1 3.97Å; F390-I399 HydrophobicContact CD2-CD1 3.8Å; F390-I399 HydrophobicContact CE1-CD1 4.48Å; F390-I399 HydrophobicContact CE2-CD1 4.34Å; F390-I399 HydrophobicContact CG-CD1 3.61Å; F390-I399 HydrophobicContact CZ-CG2 4.45Å; K393-I399 WeakPolarHBondContact O-CD1 3.42Å; S395-I399 WeakPolarHBondContact O-CG1 3.28Å; S395-I399 PolarHBondContact O-N 3.03Å; I399-T402 PolarHBondContact O-OG1 3.39Å; I399-L403 WeakPolarHBondContact O-CB 3.5Å; I399-L403 PolarHBondContact O-N 3.47Å
400	R	95.4	Very high	94.9	Very high	27 Å²	27	39.8 Å²	39.8	10%	0.102	22%	0.22	C	C	.	.	H	α-helix	trans	-55.3	-58.5	171.3	172.9	-162.8	72	-155.1	-4.2	110.5	I358 L359 L396 T397 T402 L403 L404 F449	I358-R400 HydrophobicContact CG2-CG 4.3Å; I358-R400 VanDerWaalsContact O-CG 3.28Å; I358-R400 WeakPolarHBondContact O-CG 3.45Å; L359-R400 WeakPolarHBondContact O-CD 3.39Å; L396-R400 WeakPolarHBondContact O-CB 3.48Å; L396-R400 PolarHBondContact O-N 3.45Å; L396-R400 VanDerWaalsContact O-N 3.08Å; T397-R400 WeakPolarHBondContact O-CB 3.31Å; T397-R400 PolarHBondContact O-N 2.95Å; R400-T402 VanDerWaalsContact C-N 3.3Å; R400-T402 PolarHBondContact O-N 2.79Å; R400-L403 PolarHBondContact O-N 3.03Å; R400-L403 VanDerWaalsContact O-N 3.08Å; R400-L404 HydrophobicContact CG-CD1 4.01Å; R400-L404 HydrophobicContact CG-CG 4.2Å; R400-L404 WeakPolarHBondContact O-CG 3.14Å; R400-L404 PolarHBondContact O-N 3.18Å; R400-F449 VanDerWaalsContact CZ-CD1 3.44Å; R400-F449 VanDerWaalsContact CZ-CE1 3.5Å; R400-F449 VanDerWaalsContact NH1-CE1 3.3Å
401	D	95.8	Very high	94.9	Very high	49 Å²	49	41.3 Å²	41.3	26%	0.262	23%	0.226	S	C	.	.	H	α-helix	trans	-60	-43.1	-171.2	-66	-14.8	0	0	0	111.3	T397 D398 L404 D405	T397-D401 PolarHBondContact O-N 3.32Å; D398-D401 PolarHBondContact O-N 2.85Å; D401-L404 PolarHBondContact O-N 3.24Å; D401-D405 PolarHBondContact O-N 3.23Å
402	T	95.5	Very high	95.2	Very high	13 Å²	13	36.9 Å²	36.9	8%	0.08	21%	0.205	C	C	.	.	H	α-helix	trans	-70.8	-30.5	177.4	52.7	0	0	0	0	113.5	Y389 F390 D398 I399 R400 L406	Y389-T402 WeakPolarHBondContact O-CG2 3.34Å; F390-T402 WeakPolarHBondContact CD1-OG1 3.35Å; D398-T402 WeakPolarHBondContact O-CB 3.09Å; D398-T402 WeakPolarHBondContact O-CG2 3.4Å; D398-T402 PolarHBondContact O-N 2.83Å; D398-T402 PolarHBondContact O-OG1 3.33Å; I399-T402 PolarHBondContact O-OG1 3.39Å; R400-T402 VanDerWaalsContact C-N 3.3Å; R400-T402 PolarHBondContact O-N 2.79Å; T402-L406 VanDerWaalsContact O-CB 3.31Å; T402-L406 WeakPolarHBondContact O-CB 3.49Å; T402-L406 PolarHBondContact O-N 3.25Å
403	L	96.1	Very high	95.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-70.9	-40.3	173.3	-177	64.2	0	0	0	111.8	I358 A367 L370 I371 F390 I399 R400 L406 F407	I358-L403 HydrophobicContact CD1-CD2 4.05Å; I358-L403 HydrophobicContact CG1-CD2 4.4Å; I358-L403 HydrophobicContact CG2-CD2 4Å; A367-L403 HydrophobicContact CB-CD1 4.27Å; A367-L403 HydrophobicContact CB-CD2 3.83Å; L370-L403 HydrophobicContact CD1-CD2 4.23Å; I371-L403 HydrophobicContact CD1-CD1 4.05Å; I371-L403 HydrophobicContact CG1-CD1 3.88Å; F390-L403 HydrophobicContact CE1-CB 4.44Å; I399-L403 WeakPolarHBondContact O-CB 3.5Å; I399-L403 PolarHBondContact O-N 3.47Å; R400-L403 PolarHBondContact O-N 3.03Å; R400-L403 VanDerWaalsContact O-N 3.08Å; L403-L406 WeakPolarHBondContact O-CB 2.94Å; L403-L406 PolarHBondContact O-N 3.15Å; L403-F407 HydrophobicContact CD1-CD2 4.27Å; L403-F407 HydrophobicContact CD1-CE1 4.32Å; L403-F407 HydrophobicContact CD1-CE2 3.65Å; L403-F407 HydrophobicContact CD1-CZ 3.66Å; L403-F407 HydrophobicContact CD2-CE2 4.13Å; L403-F407 HydrophobicContact CG-CD2 4.13Å; L403-F407 HydrophobicContact CG-CE2 3.67Å; L403-F407 HydrophobicContact CG-CZ 4.21Å; L403-F407 PolarHBondContact O-N 2.89Å
404	L	96.7	Very high	96.1	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-64.3	-42.7	174.4	-61.9	-173.8	0	0	0	111	C346 P351 I358 L359 R400 D401 L406 F407 G408 F449	C346-L404 WeakPolarHBondContact O-CB 3.43Å; C346-L404 WeakPolarHBondContact O-CD2 3.41Å; P351-L404 HydrophobicContact CB-CD2 4.34Å; P351-L404 HydrophobicContact CG-CD2 3.79Å; I358-L404 HydrophobicContact CG2-CD2 3.6Å; I358-L404 HydrophobicContact CG2-CG 4.41Å; L359-L404 HydrophobicContact CD2-CD1 4.28Å; R400-L404 HydrophobicContact CG-CD1 4.01Å; R400-L404 HydrophobicContact CG-CG 4.2Å; R400-L404 WeakPolarHBondContact O-CG 3.14Å; R400-L404 PolarHBondContact O-N 3.18Å; D401-L404 PolarHBondContact O-N 3.24Å; L404-L406 VanDerWaalsContact C-N 3.33Å; L404-L406 PolarHBondContact O-N 3.16Å; L404-F407 PolarHBondContact O-N 2.9Å; L404-G408 PolarHBondContact O-N 2.91Å; L404-F449 HydrophobicContact CD1-CD2 4.5Å; L404-F449 HydrophobicContact CD1-CE2 3.8Å
405	D	96.9	Very high	96.5	Very high	49 Å²	49	24.8 Å²	24.8	26%	0.262	14%	0.137	S	C	.	.	H	α-helix	trans	-60.6	-41.6	172.9	-78.2	-7.7	0	0	0	111.7	D401 G408 D409	D401-D405 PolarHBondContact O-N 3.23Å; D405-G408 PolarHBondContact O-N 3.25Å; D405-D409 WeakPolarHBondContact O-CB 3.37Å; D405-D409 VanDerWaalsContact O-CG 3.23Å; D405-D409 PolarHBondContact O-N 3.44Å
406	L	97.3	Very high	96.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.1	-50.1	177.3	-176.7	161.8	0	0	0	111.8	I371 L375 V385 Y389 T402 L403 L404 G408 D409 V410 W539	I371-L406 HydrophobicContact CD1-CD1 3.66Å; I371-L406 HydrophobicContact CG1-CD1 4.07Å; I371-L406 HydrophobicContact CG1-CD2 4.3Å; L375-L406 HydrophobicContact CD1-CD2 3.63Å; V385-L406 HydrophobicContact CG1-CD1 3.52Å; Y389-L406 HydrophobicContact CD1-CB 3.54Å; Y389-L406 HydrophobicContact CD1-CD1 4.26Å; Y389-L406 HydrophobicContact CD1-CG 4.11Å; Y389-L406 HydrophobicContact CD2-CB 4.39Å; Y389-L406 HydrophobicContact CD2-CD1 3.77Å; Y389-L406 HydrophobicContact CD2-CG 4.04Å; Y389-L406 HydrophobicContact CE1-CB 3.65Å; Y389-L406 HydrophobicContact CE1-CG 4.15Å; Y389-L406 HydrophobicContact CE2-CB 4.46Å; Y389-L406 HydrophobicContact CE2-CD1 4.26Å; Y389-L406 HydrophobicContact CE2-CG 4.06Å; Y389-L406 HydrophobicContact CG-CB 3.94Å; Y389-L406 HydrophobicContact CG-CD1 3.76Å; Y389-L406 HydrophobicContact CG-CG 4.06Å; T402-L406 VanDerWaalsContact O-CB 3.31Å; T402-L406 WeakPolarHBondContact O-CB 3.49Å; T402-L406 PolarHBondContact O-N 3.25Å; L403-L406 WeakPolarHBondContact O-CB 2.94Å; L403-L406 PolarHBondContact O-N 3.15Å; L404-L406 VanDerWaalsContact C-N 3.33Å; L404-L406 PolarHBondContact O-N 3.16Å; L406-G408 VanDerWaalsContact C-N 3.35Å; L406-D409 PolarHBondContact O-N 2.77Å; L406-V410 HydrophobicContact CD2-CG2 4.23Å; L406-V410 WeakPolarHBondContact O-CG2 3.4Å; L406-V410 PolarHBondContact O-N 3.49Å; L406-W539 HydrophobicContact CD2-CZ2 4.42Å; L406-W539 HydrophobicContact CG-CZ2 4.16Å
407	F	96.4	Very high	96.8	Very high	8 Å²	8	17.9 Å²	17.9	4%	0.035	10%	0.097	C	C	.	.	H	α-helix	trans	-66.5	-37.7	179.1	-68.4	-37.7	0	0	0	112.2	C346 I358 L370 L374 L375 L403 L404 V410 F411	C346-F407 HydrophobicContact CB-CB 4.01Å; I358-F407 HydrophobicContact CD1-CE2 4.06Å; L370-F407 HydrophobicContact CB-CZ 4.19Å; L374-F407 HydrophobicContact CB-CE1 4.4Å; L374-F407 HydrophobicContact CD1-CE1 4.08Å; L374-F407 HydrophobicContact CD1-CE2 4.16Å; L374-F407 HydrophobicContact CD1-CZ 3.7Å; L375-F407 HydrophobicContact CD1-CE1 4.44Å; L375-F407 HydrophobicContact CD2-CD1 4.48Å; L375-F407 HydrophobicContact CG-CE1 4.31Å; L403-F407 HydrophobicContact CD1-CD2 4.27Å; L403-F407 HydrophobicContact CD1-CE1 4.32Å; L403-F407 HydrophobicContact CD1-CE2 3.65Å; L403-F407 HydrophobicContact CD1-CZ 3.66Å; L403-F407 HydrophobicContact CD2-CE2 4.13Å; L403-F407 HydrophobicContact CG-CD2 4.13Å; L403-F407 HydrophobicContact CG-CE2 3.67Å; L403-F407 HydrophobicContact CG-CZ 4.21Å; L403-F407 PolarHBondContact O-N 2.89Å; L404-F407 PolarHBondContact O-N 2.9Å; F407-V410 PolarHBondContact O-N 3.02Å; F407-F411 HydrophobicContact CB-CD2 3.99Å; F407-F411 HydrophobicContact CB-CE2 4.01Å; F407-F411 AromaticContact CD1-CE2 3.84Å; F407-F411 HydrophobicContact CD1-CE2 3.84Å; F407-F411 HydrophobicContact CD1-CZ 4.49Å; F407-F411 HydrophobicContact CG-CE2 4.12Å; F407-F411 WeakPolarHBondContact O-CB 3.35Å; F407-F411 WeakPolarHBondContact O-CD2 3.49Å; F407-F411 PolarHBondContact O-N 3.32Å
408	G	97.5	Very high	97	Very high	5 Å²	5	15.3 Å²	15.3	5%	0.052	8%	0.081	C	C	.	.	H	α-helix	trans	-60.8	-45.1	172.5	0	0	0	0	0	112.3	L404 D405 L406 F412 V413	L404-G408 PolarHBondContact O-N 2.91Å; D405-G408 PolarHBondContact O-N 3.25Å; L406-G408 VanDerWaalsContact C-N 3.35Å; G408-F412 PolarHBondContact O-N 2.76Å; G408-F412 VanDerWaalsContact O-N 3.13Å; G408-V413 PolarHBondContact O-N 3.37Å; G408-V413 VanDerWaalsContact O-N 3.12Å
409	D	98.1	Very high	97.1	Very high	3 Å²	3	12.7 Å²	12.7	2%	0.016	7%	0.067	C	C	.	.	I	π-helix	trans	-61.9	-48.5	178.5	-75	-14.1	0	0	0	111.1	Y389 D405 L406 V413 V414 K532 R535	Y389-D409 VanDerWaalsContact CE1-OD2 3.31Å; Y389-D409 WeakPolarHBondContact CE1-OD2 3.07Å; Y389-D409 VanDerWaalsContact OH-CB 3.24Å; Y389-D409 WeakPolarHBondContact OH-CB 3.41Å; Y389-D409 PolarHBondContact OH-OD2 3.21Å; D405-D409 WeakPolarHBondContact O-CB 3.37Å; D405-D409 VanDerWaalsContact O-CG 3.23Å; D405-D409 PolarHBondContact O-N 3.44Å; L406-D409 PolarHBondContact O-N 2.77Å; D409-V413 PolarHBondContact O-N 3.31Å; D409-V414 HydrophobicContact CB-CG2 4.44Å; D409-V414 WeakPolarHBondContact O-CB 3.44Å; D409-V414 WeakPolarHBondContact O-CG2 3.41Å; D409-V414 PolarHBondContact O-N 2.85Å; D409-K532 IonicContact OD1-NZ 2.78Å; D409-K532 PolarHBondContact OD1-NZ 3.37Å; D409-K532 VanDerWaalsContact OD1-NZ 3.09Å; D409-K532 IonicContact OD2-NZ 3.85Å; D409-R535 IonicContact OD2-NE 3.55Å
410	V	96.3	Very high	97.3	Very high	12 Å²	12	12.7 Å²	12.7	7%	0.073	7%	0.067	C	C	.	.	I	π-helix	trans	-73.6	-40.5	-174.3	175	0	0	0	0	113.1	P258 L375 L406 F407 P415 W539	P258-V410 HydrophobicContact CG-CG1 4.39Å; L375-V410 HydrophobicContact CD1-CB 4.34Å; L375-V410 HydrophobicContact CD1-CG1 4.08Å; L375-V410 HydrophobicContact CD1-CG2 3.97Å; L375-V410 HydrophobicContact CD2-CB 4.37Å; L375-V410 HydrophobicContact CD2-CG1 3.64Å; L375-V410 HydrophobicContact CG-CG1 4.49Å; L406-V410 HydrophobicContact CD2-CG2 4.23Å; L406-V410 WeakPolarHBondContact O-CG2 3.4Å; L406-V410 PolarHBondContact O-N 3.49Å; F407-V410 PolarHBondContact O-N 3.02Å; V410-P415 VanDerWaalsContact O-CD 3.3Å; V410-P415 WeakPolarHBondContact O-CD 3.31Å; V410-P415 WeakPolarHBondContact O-CG 3.2Å; V410-W539 HydrophobicContact CG2-CD2 3.83Å; V410-W539 HydrophobicContact CG2-CE3 4.15Å; V410-W539 HydrophobicContact CG2-CH2 3.6Å; V410-W539 HydrophobicContact CG2-CZ2 3.21Å; V410-W539 HydrophobicContact CG2-CZ3 4.04Å
411	F	95.5	Very high	97.4	Very high	34 Å²	34	13.7 Å²	13.7	15%	0.149	7%	0.071	C	C	.	.	I	π-helix	trans	-84.5	-22.8	-175.9	-65.8	-50.4	0	0	0	113.4	I257 L375 F407	I257-F411 WeakPolarHBondContact CD1-O 3.49Å; I257-F411 WeakPolarHBondContact CG1-O 3.43Å; I257-F411 HydrophobicContact CG2-CD1 4.31Å; L375-F411 HydrophobicContact CD2-CE1 3.72Å; L375-F411 HydrophobicContact CD2-CE2 4.32Å; L375-F411 HydrophobicContact CD2-CZ 3.53Å; F407-F411 HydrophobicContact CB-CD2 3.99Å; F407-F411 HydrophobicContact CB-CE2 4.01Å; F407-F411 AromaticContact CD1-CE2 3.84Å; F407-F411 HydrophobicContact CD1-CE2 3.84Å; F407-F411 HydrophobicContact CD1-CZ 4.49Å; F407-F411 HydrophobicContact CG-CE2 4.12Å; F407-F411 WeakPolarHBondContact O-CB 3.35Å; F407-F411 WeakPolarHBondContact O-CD2 3.49Å; F407-F411 PolarHBondContact O-N 3.32Å
412	F	98.1	Very high	97.5	Very high	19 Å²	19	14.6 Å²	14.6	8%	0.083	7%	0.071	C	C	.	.	I	π-helix	trans	-135.7	-57.2	-170.3	-58.4	-75.5	0	0	0	113.5	S252 I257 V341 E345 L350 G408 G416 H454	S252-F412 WeakPolarHBondContact O-CD1 3.49Å; S252-F412 VanDerWaalsContact O-CE1 3.26Å; S252-F412 WeakPolarHBondContact O-CE1 3.49Å; I257-F412 HydrophobicContact CD1-CD1 4.38Å; I257-F412 HydrophobicContact CD1-CE1 4.47Å; V341-F412 HydrophobicContact CG1-CB 4.34Å; E345-F412 HydrophobicContact CB-CB 4.22Å; E345-F412 HydrophobicContact CB-CD2 3.41Å; E345-F412 VanDerWaalsContact CB-CD2 3.41Å; E345-F412 HydrophobicContact CB-CE2 3.99Å; E345-F412 HydrophobicContact CB-CG 3.96Å; E345-F412 HydrophobicContact CG-CB 3.69Å; E345-F412 HydrophobicContact CG-CD2 3.85Å; E345-F412 HydrophobicContact CG-CG 3.86Å; L350-F412 HydrophobicContact CD1-CE2 3.57Å; L350-F412 HydrophobicContact CD1-CZ 3.59Å; G408-F412 PolarHBondContact O-N 2.76Å; G408-F412 VanDerWaalsContact O-N 3.13Å; F412-G416 PolarHBondContact O-N 3.28Å; F412-H454 AromaticContact CE1-CE1 3.51Å; F412-H454 AromaticContact CZ-CE1 3.72Å
413	V	98.5	Very high	97.6	Very high	6 Å²	6	14 Å²	14	4%	0.036	7%	0.068	C	C	.	.	I	π-helix	trans	-67.5	-52.5	-168.7	-172.7	0	0	0	0	111.9	V341 G408 D409 G416 L417 L531 K532	V341-V413 HydrophobicContact CB-CG2 4.39Å; V341-V413 HydrophobicContact CG2-CG1 4.37Å; V341-V413 HydrophobicContact CG2-CG2 4.15Å; G408-V413 PolarHBondContact O-N 3.37Å; G408-V413 VanDerWaalsContact O-N 3.12Å; D409-V413 PolarHBondContact O-N 3.31Å; V413-G416 PolarHBondContact O-N 3.49Å; V413-L417 HydrophobicContact CG1-CD1 3.79Å; V413-L417 HydrophobicContact CG1-CG 4.47Å; V413-L417 VanDerWaalsContact O-CG 3.28Å; V413-L417 WeakPolarHBondContact O-CG 3.22Å; V413-L417 PolarHBondContact O-N 3.16Å; V413-L531 HydrophobicContact CG1-CD2 4.16Å; V413-L531 HydrophobicContact CG1-CG 4.45Å; V413-K532 HydrophobicContact CG1-CB 4.42Å; V413-K532 HydrophobicContact CG1-CG 4.06Å
414	V	98.6	Very high	97.6	Very high	10 Å²	10	15.7 Å²	15.7	6%	0.061	7%	0.074	C	C	.	.	H	α-helix	trans	-65.6	-50.4	-179.2	173.5	0	0	0	0	111.4	D409 G416 L417 V418 V536 W539 T540	D409-V414 HydrophobicContact CB-CG2 4.44Å; D409-V414 WeakPolarHBondContact O-CB 3.44Å; D409-V414 WeakPolarHBondContact O-CG2 3.41Å; D409-V414 PolarHBondContact O-N 2.85Å; V414-G416 VanDerWaalsContact C-N 3.28Å; V414-G416 PolarHBondContact O-N 2.91Å; V414-L417 PolarHBondContact O-N 3.45Å; V414-V418 HydrophobicContact CG1-CG2 4.24Å; V414-V418 WeakPolarHBondContact O-CB 2.96Å; V414-V418 VanDerWaalsContact O-CG2 3.31Å; V414-V418 WeakPolarHBondContact O-CG2 3.26Å; V414-V418 PolarHBondContact O-N 3.3Å; V414-V536 HydrophobicContact CG1-CG1 4.45Å; V414-V536 HydrophobicContact CG2-CG2 4.27Å; V414-W539 HydrophobicContact CG1-CB 4.05Å; V414-T540 HydrophobicContact CG1-CG2 4.35Å
415	P	98.3	Very high	97.6	Very high	10 Å²	10	18.7 Å²	18.7	7%	0.065	9%	0.09	C	C	.	.	H	α-helix	trans	-53.9	-42.4	173.2	-29.6	37.5	0	0	0	113.5	V254 I256 I257 V410 T419	V254-P415 HydrophobicContact CG2-CB 3.43Å; V254-P415 VanDerWaalsContact CG2-CB 3.43Å; I256-P415 HydrophobicContact CG1-CB 4.08Å; I257-P415 HydrophobicContact CG1-CB 4.13Å; I257-P415 HydrophobicContact CG1-CG 4.36Å; V410-P415 VanDerWaalsContact O-CD 3.3Å; V410-P415 WeakPolarHBondContact O-CD 3.31Å; V410-P415 WeakPolarHBondContact O-CG 3.2Å; P415-T419 WeakPolarHBondContact O-CB 3.41Å; P415-T419 PolarHBondContact O-N 3.46Å; P415-T419 PolarHBondContact O-OG1 3.45Å
416	G	98.4	Very high	97.6	Very high	2 Å²	2	17.8 Å²	17.8	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-62	-47.5	178.4	0	0	0	0	0	112.6	F412 V413 V414 T419 A420	F412-G416 PolarHBondContact O-N 3.28Å; V413-G416 PolarHBondContact O-N 3.49Å; V414-G416 VanDerWaalsContact C-N 3.28Å; V414-G416 PolarHBondContact O-N 2.91Å; G416-T419 PolarHBondContact O-N 3.4Å; G416-A420 WeakPolarHBondContact O-CB 3.23Å; G416-A420 PolarHBondContact O-N 3.04Å
417	L	98.6	Very high	97.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.5	-42.7	178.1	-70	166.4	0	0	0	112.2	V413 V414 T419 A420 R421 F432 L531 K532 V536	V413-L417 HydrophobicContact CG1-CD1 3.79Å; V413-L417 HydrophobicContact CG1-CG 4.47Å; V413-L417 VanDerWaalsContact O-CG 3.28Å; V413-L417 WeakPolarHBondContact O-CG 3.22Å; V413-L417 PolarHBondContact O-N 3.16Å; V414-L417 PolarHBondContact O-N 3.45Å; L417-T419 VanDerWaalsContact C-N 3.35Å; L417-T419 PolarHBondContact O-N 2.88Å; L417-A420 PolarHBondContact O-N 2.82Å; L417-R421 WeakPolarHBondContact O-CG 3.34Å; L417-R421 PolarHBondContact O-N 3.23Å; L417-F432 HydrophobicContact CD2-CD1 4.4Å; L417-F432 HydrophobicContact CD2-CD2 4.41Å; L417-F432 HydrophobicContact CD2-CE1 3.95Å; L417-F432 HydrophobicContact CD2-CE2 3.95Å; L417-F432 HydrophobicContact CD2-CZ 3.71Å; L417-F432 HydrophobicContact CG-CE2 4.39Å; L417-F432 HydrophobicContact CG-CZ 4.04Å; L417-L531 HydrophobicContact CD1-CB 4.35Å; L417-L531 HydrophobicContact CD1-CD2 4.47Å; L417-L531 HydrophobicContact CD1-CG 4.3Å; L417-L531 WeakPolarHBondContact CD1-O 3.34Å; L417-L531 HydrophobicContact CD2-CB 4.11Å; L417-L531 HydrophobicContact CD2-CD2 4.34Å; L417-K532 HydrophobicContact CD1-CB 4.36Å; L417-V536 HydrophobicContact CB-CG2 4.12Å; L417-V536 HydrophobicContact CD1-CG2 3.54Å; L417-V536 HydrophobicContact CG-CG2 4.49Å
418	V	98.3	Very high	97.2	Very high	18 Å²	18	21.3 Å²	21.3	11%	0.109	13%	0.125	C	C	.	.	H	α-helix	trans	-61.6	-44.5	175.7	171.3	0	0	0	0	110.8	I256 V414 A420 R421 Y422 V536 T540	I256-V418 HydrophobicContact CD1-CB 3.98Å; I256-V418 HydrophobicContact CD1-CG1 3.65Å; V414-V418 HydrophobicContact CG1-CG2 4.24Å; V414-V418 WeakPolarHBondContact O-CB 2.96Å; V414-V418 VanDerWaalsContact O-CG2 3.31Å; V414-V418 WeakPolarHBondContact O-CG2 3.26Å; V414-V418 PolarHBondContact O-N 3.3Å; V418-A420 VanDerWaalsContact C-N 3.35Å; V418-A420 PolarHBondContact O-N 2.96Å; V418-R421 PolarHBondContact O-N 3.44Å; V418-Y422 HydrophobicContact CG1-CD2 3.77Å; V418-Y422 HydrophobicContact CG1-CE2 3.48Å; V418-Y422 VanDerWaalsContact CG1-CE2 3.48Å; V418-Y422 VanDerWaalsContact O-CD2 3.25Å; V418-Y422 WeakPolarHBondContact O-CD2 3.34Å; V418-Y422 PolarHBondContact O-N 3.18Å; V418-V536 HydrophobicContact CG2-CG1 4.08Å; V418-T540 HydrophobicContact CG2-CG2 3.62Å
419	T	98.3	Very high	97.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.9	-42.9	175.8	-57.2	0	0	0	0	111.2	M250 V254 I256 L327 I339 P415 G416 L417 R421 Y422 H423	M250-T419 HydrophobicContact SD-CG2 4.47Å; V254-T419 HydrophobicContact CB-CG2 4.38Å; V254-T419 HydrophobicContact CG1-CG2 4Å; I256-T419 WeakPolarHBondContact CD1-OG1 3.45Å; L327-T419 HydrophobicContact CD1-CG2 4.39Å; I339-T419 HydrophobicContact CD1-CG2 4.05Å; P415-T419 WeakPolarHBondContact O-CB 3.41Å; P415-T419 PolarHBondContact O-N 3.46Å; P415-T419 PolarHBondContact O-OG1 3.45Å; G416-T419 PolarHBondContact O-N 3.4Å; L417-T419 VanDerWaalsContact C-N 3.35Å; L417-T419 PolarHBondContact O-N 2.88Å; T419-R421 PolarHBondContact O-N 3.37Å; T419-Y422 PolarHBondContact O-N 3.34Å; T419-H423 WeakPolarHBondContact O-CB 3.4Å; T419-H423 PolarHBondContact O-CD2 3.4Å; T419-H423 PolarHBondContact O-N 2.93Å
420	A	98.3	Very high	97.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.2	-41.9	176.8	0	0	0	0	0	112.6	I339 G416 L417 V418 H423 R424 V430 F432 Y512	I339-A420 HydrophobicContact CD1-CB 3.9Å; G416-A420 WeakPolarHBondContact O-CB 3.23Å; G416-A420 PolarHBondContact O-N 3.04Å; L417-A420 PolarHBondContact O-N 2.82Å; V418-A420 VanDerWaalsContact C-N 3.35Å; V418-A420 PolarHBondContact O-N 2.96Å; A420-H423 PolarHBondContact O-N 2.92Å; A420-R424 VanDerWaalsContact O-CB 3.28Å; A420-R424 WeakPolarHBondContact O-CB 3.28Å; A420-R424 PolarHBondContact O-N 2.84Å; A420-V430 HydrophobicContact CB-CG1 4.11Å; A420-F432 HydrophobicContact CB-CD2 3.73Å; A420-F432 HydrophobicContact CB-CE2 4.07Å; A420-Y512 HydrophobicContact CB-CD1 4.1Å; A420-Y512 HydrophobicContact CB-CE1 3.94Å
421	R	97.9	Very high	97.4	Very high	49 Å²	49	23.6 Å²	23.6	19%	0.185	14%	0.139	C	C	.	.	H	α-helix	trans	-60.3	-48.7	174.5	-71.9	171.3	173.6	178.4	0.6	111.3	L417 V418 T419 H423 R424 D425 Y512 E516 D533	L417-R421 WeakPolarHBondContact O-CG 3.34Å; L417-R421 PolarHBondContact O-N 3.23Å; V418-R421 PolarHBondContact O-N 3.44Å; T419-R421 PolarHBondContact O-N 3.37Å; R421-H423 PolarHBondContact O-N 3.03Å; R421-R424 PolarHBondContact O-N 2.74Å; R421-D425 WeakPolarHBondContact O-CB 3.32Å; R421-D425 PolarHBondContact O-N 3.23Å; R421-Y512 HydrophobicContact CG-CE1 4.44Å; R421-E516 WeakPolarHBondContact CG-OE1 3.35Å; R421-E516 IonicContact CZ-OE1 3.98Å; R421-E516 IonicContact CZ-OE2 3.68Å; R421-E516 IonicContact NE-OE1 3.46Å; R421-E516 PolarHBondContact NE-OE1 2.91Å; R421-E516 IonicContact NE-OE2 3.56Å; R421-E516 PolarHBondContact NE-OE2 3.21Å; R421-E516 IonicContact NH2-OE1 2.7Å; R421-E516 PolarHBondContact NH2-OE1 3.13Å; R421-E516 IonicContact NH2-OE2 3.78Å; R421-E516 PolarHBondContact NH2-OE2 2.81Å; R421-D533 IonicContact NH2-OD1 3.5Å; R421-D533 PolarHBondContact NH2-OD1 2.93Å
422	Y	97.8	Very high	97.5	Very high	67 Å²	67	22 Å²	22	26%	0.263	13%	0.131	S	C	.	.	H	α-helix	trans	-63.7	-40.3	177.3	-75.2	-57.3	0	0	0	113.3	L324 L327 V418 T419 D425 S426	L324-Y422 HydrophobicContact CD1-CE2 3.86Å; L327-Y422 HydrophobicContact CB-CD2 3.8Å; L327-Y422 HydrophobicContact CB-CE2 4.38Å; L327-Y422 HydrophobicContact CB-CG 3.89Å; L327-Y422 HydrophobicContact CD1-CD2 4.3Å; V418-Y422 HydrophobicContact CG1-CD2 3.77Å; V418-Y422 HydrophobicContact CG1-CE2 3.48Å; V418-Y422 VanDerWaalsContact CG1-CE2 3.48Å; V418-Y422 VanDerWaalsContact O-CD2 3.25Å; V418-Y422 WeakPolarHBondContact O-CD2 3.34Å; V418-Y422 PolarHBondContact O-N 3.18Å; T419-Y422 PolarHBondContact O-N 3.34Å; Y422-D425 PolarHBondContact O-N 3.3Å; Y422-S426 WeakPolarHBondContact O-CB 3.36Å; Y422-S426 PolarHBondContact O-N 3.04Å; Y422-S426 VanDerWaalsContact O-N 3.07Å; Y422-S426 PolarHBondContact O-OG 3.34Å
423	H	97.3	Very high	97.6	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-64.5	-45.8	175.9	-82.3	-130.8	0	0	0	111.9	F332 S337 T419 A420 R421 D425 S426 V430	F332-H423 AromaticContact CZ-CD2 3.98Å; S337-H423 PolarHBondContact OG-ND1 2.88Å; T419-H423 WeakPolarHBondContact O-CB 3.4Å; T419-H423 PolarHBondContact O-CD2 3.4Å; T419-H423 PolarHBondContact O-N 2.93Å; A420-H423 PolarHBondContact O-N 2.92Å; R421-H423 PolarHBondContact O-N 3.03Å; H423-D425 VanDerWaalsContact C-N 3.31Å; H423-D425 PolarHBondContact O-N 3.01Å; H423-S426 WeakPolarHBondContact O-CB 3.49Å; H423-S426 PolarHBondContact O-N 3.03Å; H423-S426 VanDerWaalsContact O-N 3.1Å; H423-V430 HydrophobicContact CB-CG2 3.52Å
424	R	96.6	Very high	97.6	Very high	35 Å²	35	21.4 Å²	21.4	13%	0.132	13%	0.129	C	C	.	.	H	α-helix	trans	-54.9	-49.9	174.7	171.7	-162.2	69	-158.2	-4.3	110.2	A420 R421 S426 G427 V430 Y512 D513 E516	A420-R424 VanDerWaalsContact O-CB 3.28Å; A420-R424 WeakPolarHBondContact O-CB 3.28Å; A420-R424 PolarHBondContact O-N 2.84Å; R421-R424 PolarHBondContact O-N 2.74Å; R424-S426 PolarHBondContact O-N 2.88Å; R424-G427 PolarHBondContact O-N 2.95Å; R424-G427 VanDerWaalsContact O-N 3.08Å; R424-V430 HydrophobicContact CB-CG2 4.31Å; R424-Y512 VanDerWaalsContact CD-O 3.31Å; R424-Y512 WeakPolarHBondContact CD-O 3.49Å; R424-Y512 WeakPolarHBondContact CG-O 3.47Å; R424-D513 WeakPolarHBondContact CD-O 3.49Å; R424-D513 PolarHBondContact NH1-O 3.39Å; R424-E516 IonicContact CZ-OE1 3.93Å; R424-E516 IonicContact NH1-OE1 2.78Å; R424-E516 PolarHBondContact NH1-OE1 2.95Å
425	D	97	Very high	97.6	Very high	64 Å²	64	21 Å²	21	34%	0.342	13%	0.126	S	C	.	.	H	α-helix	trans	-72.8	-9.8	-176.3	-61.8	-20.5	0	0	0	112.7	K330 R421 Y422 H423 Q514	K330-D425 WeakPolarHBondContact CE-O 3.45Å; K330-D425 PolarHBondContact NZ-O 2.92Å; R421-D425 WeakPolarHBondContact O-CB 3.32Å; R421-D425 PolarHBondContact O-N 3.23Å; Y422-D425 PolarHBondContact O-N 3.3Å; H423-D425 VanDerWaalsContact C-N 3.31Å; H423-D425 PolarHBondContact O-N 3.01Å; D425-Q514 PolarHBondContact OD1-NE2 2.89Å
426	S	95.6	Very high	97.6	Very high	30 Å²	30	22.9 Å²	22.9	21%	0.21	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	0	173.1	-57.7	0	0	0	0	113.5	K330 F332 Y422 H423 R424	K330-S426 WeakPolarHBondContact CG-OG 3.25Å; F332-S426 WeakPolarHBondContact CZ-OG 3.43Å; Y422-S426 WeakPolarHBondContact O-CB 3.36Å; Y422-S426 PolarHBondContact O-N 3.04Å; Y422-S426 VanDerWaalsContact O-N 3.07Å; Y422-S426 PolarHBondContact O-OG 3.34Å; H423-S426 WeakPolarHBondContact O-CB 3.49Å; H423-S426 PolarHBondContact O-N 3.03Å; H423-S426 VanDerWaalsContact O-N 3.1Å; R424-S426 PolarHBondContact O-N 2.88Å
427	G	92	Very high	97.6	Very high	70 Å²	70	23.7 Å²	23.7	72%	0.722	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.3	3.5	165.3	0	0	0	0	0	116.6	R424	R424-G427 PolarHBondContact O-N 2.95Å; R424-G427 VanDerWaalsContact O-N 3.08Å
428	A	94.1	Very high	97.5	Very high	13 Å²	13	26.1 Å²	26.1	11%	0.107	15%	0.146	C	C	.	.	S	Bend	trans	-95.6	149	170.2	0	0	0	0	0	111.3	A334 V335 V430	A334-A428 HydrophobicContact CB-CB 3.62Å; V335-A428 VanDerWaalsContact C-CB 3.5Å; V335-A428 WeakPolarHBondContact O-CB 3.32Å; A428-V430 PolarHBondContact O-N 2.96Å
429	P	98.1	Very high	97.3	Very high	59 Å²	59	25.3 Å²	25.3	38%	0.383	14%	0.141	S	C	.	.			trans	-59.3	129.2	175.4	-23.4	33.4	0	0	0	112	P336 S337 Y431	P336-P429 CarbonylContact C-O 3.56Å; P336-P429 VanDerWaalsContact CA-O 3.27Å; P336-P429 WeakPolarHBondContact CA-O 3.2Å; S337-P429 PolarHBondContact N-O 2.83Å; P429-Y431 HydrophobicContact CB-CE2 4.12Å
430	V	98.7	Very high	97.1	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	143.3	172.8	-179.1	0	0	0	0	108.6	S337 I339 A420 H423 R424 A428 V511 Y512	S337-V430 CarbonylContact O-C 3.44Å; S337-V430 WeakPolarHBondContact O-CA 3.35Å; I339-V430 HydrophobicContact CD1-CG1 4.4Å; A420-V430 HydrophobicContact CB-CG1 4.11Å; H423-V430 HydrophobicContact CB-CG2 3.52Å; R424-V430 HydrophobicContact CB-CG2 4.31Å; A428-V430 PolarHBondContact O-N 2.96Å; V430-V511 CarbonylContact O-C 3.37Å; V430-V511 WeakPolarHBondContact O-CG1 3.45Å; V430-Y512 HydrophobicContact CG1-CD1 4.5Å; V430-Y512 WeakPolarHBondContact O-CB 3.15Å; V430-Y512 PolarHBondContact O-N 3.27Å
431	Y	98.9	Very high	96.9	Very high	8 Å²	8	30 Å²	30	3%	0.031	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.2	171.6	-65.6	-89.4	0	0	0	107.7	S337 I338 I339 P429 F495 G499 N500 P501 W509 P510 V511	S337-Y431 PolarHBondContact O-N 2.79Å; I338-Y431 CarbonylContact C-O 3.45Å; I338-Y431 VanDerWaalsContact CA-O 3.31Å; I338-Y431 WeakPolarHBondContact CA-O 3.38Å; I339-Y431 PolarHBondContact N-O 2.86Å; P429-Y431 HydrophobicContact CB-CE2 4.12Å; Y431-F495 HydrophobicContact CD2-CD2 4.36Å; Y431-F495 HydrophobicContact CD2-CE2 4.09Å; Y431-F495 HydrophobicContact CE2-CE2 4.38Å; Y431-G499 WeakPolarHBondContact CE2-O 3.48Å; Y431-N500 PolarHBondContact OH-OD1 3.23Å; Y431-P501 HydrophobicContact CD1-CG 3.62Å; Y431-P501 HydrophobicContact CD2-CG 4.25Å; Y431-P501 VanDerWaalsContact CE1-CD 3.45Å; Y431-P501 HydrophobicContact CE1-CG 3.8Å; Y431-P501 VanDerWaalsContact CE2-CD 3.48Å; Y431-P501 HydrophobicContact CE2-CG 4.41Å; Y431-P501 HydrophobicContact CG-CG 3.86Å; Y431-W509 AromaticContact CD1-CD1 3.79Å; Y431-W509 HydrophobicContact CD1-CG 4.09Å; Y431-P510 VanDerWaalsContact CD1-O 3.28Å; Y431-P510 WeakPolarHBondContact CD1-O 3.45Å; Y431-V511 HydrophobicContact CE1-CB 4.38Å; Y431-V511 HydrophobicContact CE1-CG2 3.7Å
432	F	98.9	Very high	96.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	142.7	179.8	-156.3	-83	0	0	0	111.5	I339 V341 L417 A420 W509 Y512 Y518 L519 L531	I339-F432 HydrophobicContact CB-CD2 3.96Å; I339-F432 HydrophobicContact CB-CE2 4.05Å; I339-F432 HydrophobicContact CG2-CD2 4.11Å; I339-F432 HydrophobicContact CG2-CE2 3.66Å; I339-F432 WeakPolarHBondContact O-CA 3.21Å; I339-F432 WeakPolarHBondContact O-CD2 3.44Å; I339-F432 WeakPolarHBondContact O-CG 3.47Å; V341-F432 HydrophobicContact CG2-CE1 4.16Å; V341-F432 HydrophobicContact CG2-CZ 4.31Å; L417-F432 HydrophobicContact CD2-CD1 4.4Å; L417-F432 HydrophobicContact CD2-CD2 4.41Å; L417-F432 HydrophobicContact CD2-CE1 3.95Å; L417-F432 HydrophobicContact CD2-CE2 3.95Å; L417-F432 HydrophobicContact CD2-CZ 3.71Å; L417-F432 HydrophobicContact CG-CE2 4.39Å; L417-F432 HydrophobicContact CG-CZ 4.04Å; A420-F432 HydrophobicContact CB-CD2 3.73Å; A420-F432 HydrophobicContact CB-CE2 4.07Å; F432-W509 PolarHBondContact O-NE1 3.06Å; F432-Y512 HydrophobicContact CB-CD2 3.42Å; F432-Y512 VanDerWaalsContact CB-CD2 3.42Å; F432-Y512 HydrophobicContact CB-CE2 3.86Å; F432-Y512 HydrophobicContact CB-CG 3.99Å; F432-Y512 HydrophobicContact CG-CD2 4.28Å; F432-Y512 HydrophobicContact CG-CE2 4.25Å; F432-Y518 HydrophobicContact CD1-CG 4.47Å; F432-Y518 WeakPolarHBondContact O-CA 3.3Å; F432-Y518 WeakPolarHBondContact O-CB 3.35Å; F432-L519 PolarHBondContact O-N 2.92Å; F432-L531 HydrophobicContact CE1-CD2 3.77Å
433	Y	98.9	Very high	96.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	154.5	169	75	-94.2	0	0	0	113.2	E251 I338 I339 G340 V341 F435 W492 W509 L519 L521	E251-Y433 WeakPolarHBondContact CB-OH 3.29Å; E251-Y433 WeakPolarHBondContact CG-OH 3.41Å; I338-Y433 HydrophobicContact CG2-CD1 3.81Å; I338-Y433 HydrophobicContact CG2-CE1 3.98Å; I339-Y433 PolarHBondContact O-N 3.08Å; I339-Y433 VanDerWaalsContact O-N 3.11Å; G340-Y433 WeakPolarHBondContact CA-O 3.5Å; V341-Y433 PolarHBondContact N-O 3.18Å; Y433-F435 HydrophobicContact CD2-CB 4.11Å; Y433-F435 HydrophobicContact CE2-CB 3.93Å; Y433-W492 HydrophobicContact CD1-CH2 4.18Å; Y433-W492 AromaticContact CE1-CH2 3.88Å; Y433-W492 HydrophobicContact CE1-CH2 3.88Å; Y433-W492 AromaticContact CE1-CZ2 3.83Å; Y433-W492 HydrophobicContact CE1-CZ2 3.83Å; Y433-W509 AromaticContact CD1-CH2 3.74Å; Y433-W509 HydrophobicContact CD1-CH2 3.74Å; Y433-W509 AromaticContact CD1-CZ2 3.89Å; Y433-W509 HydrophobicContact CD1-CZ2 3.89Å; Y433-W509 HydrophobicContact CG-CH2 4.21Å; Y433-W509 HydrophobicContact CG-CZ2 4.22Å; Y433-L519 CarbonylContact C-O 3.52Å; Y433-L519 WeakPolarHBondContact CA-O 3.31Å; Y433-L519 WeakPolarHBondContact CB-O 3.41Å; Y433-L521 HydrophobicContact CD1-CD1 4.48Å; Y433-L521 HydrophobicContact CD2-CD1 3.71Å; Y433-L521 HydrophobicContact CE2-CD1 4.35Å; Y433-L521 HydrophobicContact CG-CD1 3.8Å
434	E	98.9	Very high	95.7	Very high	13 Å²	13	37.3 Å²	37.3	6%	0.061	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	120.3	160.4	-172.8	-176.3	-140.5	0	0	108.1	V341 N343 Q436 Y518 L519 M520 L521 L531	V341-E434 HydrophobicContact CG2-CG 4.41Å; V341-E434 CarbonylContact O-C 3.14Å; V341-E434 VanDerWaalsContact O-CA 3.24Å; V341-E434 WeakPolarHBondContact O-CA 3.41Å; N343-E434 HydrophobicContact CB-CG 3.99Å; E434-Q436 HydrophobicContact CG-CG 4.19Å; E434-Q436 PolarHBondContact OE2-NE2 3.17Å; E434-Y518 HydrophobicContact CB-CD2 4.01Å; E434-Y518 HydrophobicContact CB-CE2 3.64Å; E434-L519 PolarHBondContact N-O 2.88Å; E434-M520 CarbonylContact O-C 3.53Å; E434-M520 WeakPolarHBondContact O-CA 3.3Å; E434-L521 PolarHBondContact O-N 3.13Å; E434-L531 HydrophobicContact CB-CD2 4.28Å
435	F	98.9	Very high	95.2	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	129.1	176.2	-179.5	-97	0	0	0	109.7	V341 N342 N343 Y433 H437 A452 D456 E457 F460 L484 M488 L521	V341-F435 PolarHBondContact O-N 3.49Å; N342-F435 CarbonylContact C-O 3.51Å; N342-F435 WeakPolarHBondContact CA-O 3.41Å; N342-F435 WeakPolarHBondContact OD1-CB 3.48Å; N343-F435 PolarHBondContact N-O 3.12Å; Y433-F435 HydrophobicContact CD2-CB 4.11Å; Y433-F435 HydrophobicContact CE2-CB 3.93Å; F435-H437 HydrophobicContact CE1-CB 4.32Å; F435-H437 WeakPolarHBondContact CE1-O 3.29Å; F435-H437 HydrophobicContact CE2-CB 4.18Å; F435-H437 HydrophobicContact CZ-CB 3.79Å; F435-A452 HydrophobicContact CD1-CB 3.68Å; F435-A452 HydrophobicContact CE1-CB 3.97Å; F435-A452 WeakPolarHBondContact O-CB 3.25Å; F435-D456 HydrophobicContact CE1-CB 3.93Å; F435-E457 HydrophobicContact CB-CB 4.11Å; F435-E457 HydrophobicContact CD1-CB 3.74Å; F435-E457 HydrophobicContact CD2-CB 3.84Å; F435-E457 HydrophobicContact CE1-CB 4.11Å; F435-E457 HydrophobicContact CE2-CB 4.19Å; F435-E457 HydrophobicContact CG-CB 3.63Å; F435-E457 HydrophobicContact CZ-CB 4.33Å; F435-F460 HydrophobicContact CE2-CD2 4.1Å; F435-F460 HydrophobicContact CE2-CE2 4.3Å; F435-F460 AromaticContact CZ-CD2 3.76Å; F435-F460 HydrophobicContact CZ-CD2 3.76Å; F435-F460 AromaticContact CZ-CE2 3.61Å; F435-F460 HydrophobicContact CZ-CE2 3.61Å; F435-F460 HydrophobicContact CZ-CZ 4.34Å; F435-L484 HydrophobicContact CE2-CD2 4.19Å; F435-M488 HydrophobicContact CD2-CE 4.1Å; F435-M488 HydrophobicContact CD2-SD 4.15Å; F435-M488 HydrophobicContact CE2-CE 4.18Å; F435-M488 HydrophobicContact CE2-SD 3.84Å; F435-L521 HydrophobicContact CB-CB 4.4Å; F435-L521 HydrophobicContact CD2-CB 3.78Å
436	Q	98.6	Very high	95.1	Very high	50 Å²	50	35.2 Å²	35.2	23%	0.234	20%	0.198	C	C	.	.			trans	-125.1	-12.6	-167.4	-60.4	-171.1	-11.3	0	0	114	N343 E434 M520 L521 D522	N343-Q436 HydrophobicContact CB-CG 4.04Å; N343-Q436 WeakPolarHBondContact ND2-CA 3.29Å; N343-Q436 WeakPolarHBondContact ND2-CB 3.49Å; E434-Q436 HydrophobicContact CG-CG 4.19Å; E434-Q436 PolarHBondContact OE2-NE2 3.17Å; Q436-M520 PolarHBondContact NE2-SD 3.34Å; Q436-M520 VanDerWaalsContact NE2-SD 3.37Å; Q436-L521 PolarHBondContact N-O 2.9Å; Q436-D522 HydrophobicContact CB-CB 4.38Å
437	H	98.1	Very high	95	Very high	20 Å²	20	35.9 Å²	35.9	9%	0.093	20%	0.202	C	C	.	.			trans	-74.8	128.5	-177.5	-176.6	59.1	0	0	0	111.6	F435 P439 A452 F460 E481 L484 D522	F435-H437 HydrophobicContact CE1-CB 4.32Å; F435-H437 WeakPolarHBondContact CE1-O 3.29Å; F435-H437 HydrophobicContact CE2-CB 4.18Å; F435-H437 HydrophobicContact CZ-CB 3.79Å; H437-P439 WeakPolarHBondContact O-CD 3.23Å; H437-A452 WeakPolarHBondContact O-CB 3.07Å; H437-F460 AromaticContact CD2-CZ 3.59Å; H437-E481 IonicContact CD2-OE1 2.79Å; H437-E481 IonicContact CE1-OE1 3.22Å; H437-E481 WeakPolarHBondContact NE2-CG 3.47Å; H437-E481 IonicContact NE2-OE1 3.33Å; H437-E481 PolarHBondContact NE2-OE1 3.04Å; H437-L484 HydrophobicContact CB-CD2 4.01Å; H437-D522 WeakPolarHBondContact CB-OD1 3.41Å; H437-D522 IonicContact CG-OD1 2.66Å; H437-D522 IonicContact ND1-OD1 3.75Å; H437-D522 PolarHBondContact ND1-OD1 2.98Å
438	R	95.9	Very high	95.1	Very high	51 Å²	51	37.3 Å²	37.3	19%	0.192	21%	0.207	C	C	.	.			trans	-91.3	114.9	169.7	177.6	-170.2	172.6	147.2	-2.8	108.5	Q440 F442 R446 P447 A448 V450	R438-Q440 PolarHBondContact O-N 2.84Å; R438-F442 PolarHBondContact NH2-O 3.39Å; R438-F442 VanDerWaalsContact NH2-O 3.1Å; R438-R446 PolarHBondContact NH2-O 3.44Å; R438-P447 PolarHBondContact NH1-O 3.32Å; R438-P447 PolarHBondContact NH2-O 3.28Å; R438-A448 PolarHBondContact NH1-O 3.31Å; R438-V450 WeakPolarHBondContact CD-O 3.38Å; R438-V450 PolarHBondContact NH1-O 2.89Å
439	P	95.3	Very high	95.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.211	C	C	.	.			trans	-57.7	135.2	179.8	-26.4	34.1	0	0	0	113.2	H437 C441 F442 D456 F460 F474 E481	H437-P439 WeakPolarHBondContact O-CD 3.23Å; P439-C441 PolarHBondContact O-N 2.83Å; P439-F442 HydrophobicContact CB-CD2 3.67Å; P439-F442 HydrophobicContact CB-CE2 3.96Å; P439-F442 HydrophobicContact CG-CD2 3.81Å; P439-F442 HydrophobicContact CG-CE2 3.84Å; P439-F442 WeakPolarHBondContact O-CB 3.35Å; P439-F442 PolarHBondContact O-N 2.72Å; P439-D456 HydrophobicContact CG-CB 4.32Å; P439-F460 HydrophobicContact CG-CE2 4.01Å; P439-F460 HydrophobicContact CG-CZ 4.35Å; P439-F474 HydrophobicContact CB-CE2 4.35Å; P439-F474 HydrophobicContact CB-CZ 4.06Å; P439-E481 VanDerWaalsContact CA-OE1 3.25Å; P439-E481 WeakPolarHBondContact CA-OE1 3.16Å
440	Q	94.4	Very high	95	Very high	91 Å²	91	36.1 Å²	36.1	43%	0.425	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-60.7	-33.7	-176.1	-170.3	177.5	23.2	0	0	111.8	R438 F442 E443 T478 E481	R438-Q440 PolarHBondContact O-N 2.84Å; Q440-F442 PolarHBondContact O-N 2.86Å; Q440-E443 HydrophobicContact CG-CG 4.28Å; Q440-E443 WeakPolarHBondContact O-CB 3.45Å; Q440-E443 WeakPolarHBondContact O-CG 3.5Å; Q440-E443 PolarHBondContact O-N 2.81Å; Q440-T478 HydrophobicContact CB-CG2 4.33Å; Q440-E481 PolarHBondContact N-OE1 3.36Å
441	C	92.4	Very high	94.9	Very high	7 Å²	7	41 Å²	41	5%	0.047	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-54.9	-20.3	177.1	69.5	0	0	0	0	112.7	K109 P439 R459 F474	K109-C441 HydrophobicContact CD-CB 3.89Å; K109-C441 WeakPolarHBondContact CD-O 3.28Å; K109-C441 WeakPolarHBondContact CE-O 3.41Å; K109-C441 PolarHBondContact NZ-O 3.19Å; P439-C441 PolarHBondContact O-N 2.83Å; C441-R459 PolarHBondContact SG-NH1 3.37Å; C441-F474 HydrophobicContact CB-CE2 4.39Å
442	F	93.5	Very high	94.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-94.5	-3.5	179.3	-61.9	-46.6	0	0	0	116.3	M107 L108 K109 R438 P439 Q440 N444 M445 R446 D456 R459	M107-F442 WeakPolarHBondContact O-CE1 3.35Å; L108-F442 WeakPolarHBondContact O-CE1 3.43Å; L108-F442 WeakPolarHBondContact O-CZ 3.46Å; K109-F442 HydrophobicContact CB-CE1 4.39Å; K109-F442 HydrophobicContact CG-CE1 4.36Å; R438-F442 PolarHBondContact NH2-O 3.39Å; R438-F442 VanDerWaalsContact NH2-O 3.1Å; P439-F442 HydrophobicContact CB-CD2 3.67Å; P439-F442 HydrophobicContact CB-CE2 3.96Å; P439-F442 HydrophobicContact CG-CD2 3.81Å; P439-F442 HydrophobicContact CG-CE2 3.84Å; P439-F442 WeakPolarHBondContact O-CB 3.35Å; P439-F442 PolarHBondContact O-N 2.72Å; Q440-F442 PolarHBondContact O-N 2.86Å; F442-N444 VanDerWaalsContact C-N 3.28Å; F442-N444 PolarHBondContact O-N 3.23Å; F442-M445 HydrophobicContact CD1-CE 3.67Å; F442-M445 HydrophobicContact CD1-SD 4.32Å; F442-M445 HydrophobicContact CE1-CE 3.79Å; F442-M445 PolarHBondContact O-N 2.79Å; F442-M445 VanDerWaalsContact O-N 3.16Å; F442-R446 HydrophobicContact CB-CB 4.47Å; F442-R446 HydrophobicContact CB-CG 4.05Å; F442-R446 VanDerWaalsContact CD2-CZ 3.46Å; F442-R446 VanDerWaalsContact CE2-CZ 3.43Å; F442-R446 HydrophobicContact CG-CG 4.41Å; F442-R446 PolarHBondContact O-N 3.06Å; F442-D456 WeakPolarHBondContact CE2-OD1 3.41Å; F442-R459 VanDerWaalsContact CE2-CZ 3.48Å
443	E	88.2	Confident	94.8	Very high	111 Å²	111	40.6 Å²	40.6	52%	0.519	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-43.5	-178.9	-75	-176.3	164.7	0	0	112.6	Q440	Q440-E443 HydrophobicContact CG-CG 4.28Å; Q440-E443 WeakPolarHBondContact O-CB 3.45Å; Q440-E443 WeakPolarHBondContact O-CG 3.5Å; Q440-E443 PolarHBondContact O-N 2.81Å
444	N	86.6	Confident	94.7	Very high	160 Å²	160	40.8 Å²	40.8	86%	0.856	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-2.4	-176.7	-64.5	-39.6	0	0	0	114.5	F442	F442-N444 VanDerWaalsContact C-N 3.28Å; F442-N444 PolarHBondContact O-N 3.23Å
445	M	87.3	Confident	94.6	Very high	49 Å²	49	41.6 Å²	41.6	24%	0.241	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115	-44.8	-175.1	-175.2	-133.4	-66.8	0	0	112.5	R106 M107 K109 Y348 F442	R106-M445 WeakPolarHBondContact O-CE 3.36Å; M107-M445 WeakPolarHBondContact O-CE 3.35Å; M107-M445 VanDerWaalsContact O-SD 3.34Å; K109-M445 HydrophobicContact CD-CE 4.28Å; K109-M445 HydrophobicContact CG-CE 3.53Å; Y348-M445 HydrophobicContact CE1-SD 4.39Å; F442-M445 HydrophobicContact CD1-CE 3.67Å; F442-M445 HydrophobicContact CD1-SD 4.32Å; F442-M445 HydrophobicContact CE1-CE 3.79Å; F442-M445 PolarHBondContact O-N 2.79Å; F442-M445 VanDerWaalsContact O-N 3.16Å
446	R	93	Very high	94.5	Very high	6 Å²	6	41.6 Å²	41.6	2%	0.023	22%	0.22	C	C	.	.	S	Bend	trans	-93.5	143.9	-178	-60.4	-171.5	-174.6	163.3	-4.6	110.1	Y348 R438 F442 V450 D453 D456	Y348-R446 HydrophobicContact CD1-CG 3.68Å; Y348-R446 HydrophobicContact CE1-CG 3.78Å; Y348-R446 HydrophobicContact CG-CG 4.13Å; R438-R446 PolarHBondContact NH2-O 3.44Å; F442-R446 HydrophobicContact CB-CB 4.47Å; F442-R446 HydrophobicContact CB-CG 4.05Å; F442-R446 VanDerWaalsContact CD2-CZ 3.46Å; F442-R446 VanDerWaalsContact CE2-CZ 3.43Å; F442-R446 HydrophobicContact CG-CG 4.41Å; F442-R446 PolarHBondContact O-N 3.06Å; R446-V450 HydrophobicContact CB-CB 4.27Å; R446-V450 HydrophobicContact CB-CG1 4.49Å; R446-V450 HydrophobicContact CB-CG2 4.36Å; R446-D453 IonicContact CZ-OD2 3.59Å; R446-D456 IonicContact CZ-OD1 3.55Å; R446-D456 VanDerWaalsContact CZ-OD1 3.28Å; R446-D456 IonicContact CZ-OD2 3.8Å; R446-D456 IonicContact NH1-OD1 3.95Å; R446-D456 PolarHBondContact NH1-OD1 2.97Å; R446-D456 IonicContact NH1-OD2 3.8Å; R446-D456 PolarHBondContact NH1-OD2 2.78Å; R446-D456 IonicContact NH2-OD1 3.54Å; R446-D456 PolarHBondContact NH2-OD1 3.43Å
447	P	93.9	Very high	94.5	Very high	45 Å²	45	39.3 Å²	39.3	29%	0.292	21%	0.209	S	C	.	.			trans	-52.6	150.4	173.9	-26.7	34.2	0	0	0	113	Y348 R438 F449 V450	Y348-P447 HydrophobicContact CD2-CG 4.31Å; Y348-P447 HydrophobicContact CE2-CG 4.15Å; R438-P447 PolarHBondContact NH1-O 3.32Å; R438-P447 PolarHBondContact NH2-O 3.28Å; P447-F449 HydrophobicContact CB-CD1 3.46Å; P447-F449 VanDerWaalsContact CB-CD1 3.46Å; P447-F449 HydrophobicContact CB-CE1 3.17Å; P447-F449 HydrophobicContact CB-CG 4.28Å; P447-F449 HydrophobicContact CB-CZ 3.79Å; P447-F449 HydrophobicContact CG-CD1 4.47Å; P447-F449 HydrophobicContact CG-CE1 3.72Å; P447-F449 HydrophobicContact CG-CZ 3.97Å; P447-F449 PolarHBondContact O-N 3.12Å; P447-F449 VanDerWaalsContact O-N 3.12Å; P447-V450 HydrophobicContact CB-CG2 4.18Å; P447-V450 HydrophobicContact CG-CG2 4.36Å; P447-V450 WeakPolarHBondContact O-CB 3.33Å; P447-V450 WeakPolarHBondContact O-CG2 3.49Å; P447-V450 PolarHBondContact O-N 2.91Å
448	A	93.8	Very high	94.5	Very high	100 Å²	100	38.9 Å²	38.9	83%	0.826	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-24	-176.9	0	0	0	0	0	114	R438 V450	R438-A448 PolarHBondContact NH1-O 3.31Å; A448-V450 VanDerWaalsContact C-N 3.27Å; A448-V450 PolarHBondContact O-N 2.78Å
449	F	94.1	Very high	94.5	Very high	44 Å²	44	36.9 Å²	36.9	19%	0.193	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-14.9	178.1	68.4	-102	0	0	0	114	Q344 L359 R400 L404 P447	Q344-F449 PolarHBondContact OE1-O 2.83Å; L359-F449 HydrophobicContact CD2-CZ 4.23Å; R400-F449 VanDerWaalsContact CZ-CD1 3.44Å; R400-F449 VanDerWaalsContact CZ-CE1 3.5Å; R400-F449 VanDerWaalsContact NH1-CE1 3.3Å; L404-F449 HydrophobicContact CD1-CD2 4.5Å; L404-F449 HydrophobicContact CD1-CE2 3.8Å; P447-F449 HydrophobicContact CB-CD1 3.46Å; P447-F449 VanDerWaalsContact CB-CD1 3.46Å; P447-F449 HydrophobicContact CB-CE1 3.17Å; P447-F449 HydrophobicContact CB-CG 4.28Å; P447-F449 HydrophobicContact CB-CZ 3.79Å; P447-F449 HydrophobicContact CG-CD1 4.47Å; P447-F449 HydrophobicContact CG-CE1 3.72Å; P447-F449 HydrophobicContact CG-CZ 3.97Å; P447-F449 PolarHBondContact O-N 3.12Å; P447-F449 VanDerWaalsContact O-N 3.12Å
450	V	96.6	Very high	94.6	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.012	20%	0.2	C	C	.	.			trans	-76.9	128.5	179.9	-175	0	0	0	0	109.3	Q344 Y348 R438 R446 P447 A448 D453	Q344-V450 VanDerWaalsContact OE1-CA 3.28Å; Y348-V450 HydrophobicContact CD2-CG2 4.24Å; Y348-V450 HydrophobicContact CG-CG2 4.39Å; R438-V450 WeakPolarHBondContact CD-O 3.38Å; R438-V450 PolarHBondContact NH1-O 2.89Å; R446-V450 HydrophobicContact CB-CB 4.27Å; R446-V450 HydrophobicContact CB-CG1 4.49Å; R446-V450 HydrophobicContact CB-CG2 4.36Å; P447-V450 HydrophobicContact CB-CG2 4.18Å; P447-V450 HydrophobicContact CG-CG2 4.36Å; P447-V450 WeakPolarHBondContact O-CB 3.33Å; P447-V450 WeakPolarHBondContact O-CG2 3.49Å; P447-V450 PolarHBondContact O-N 2.91Å; A448-V450 VanDerWaalsContact C-N 3.27Å; A448-V450 PolarHBondContact O-N 2.78Å; V450-D453 HydrophobicContact CG1-CB 4.03Å
451	K	96.8	Very high	94.8	Very high	103 Å²	103	32.6 Å²	32.6	45%	0.448	18%	0.179	S	C	.	.			trans	-98.2	-138.5	176.7	-57.1	175.7	-176.5	167.3	0	109.4	N343 Q344 D453	N343-K451 WeakPolarHBondContact OD1-CB 3.39Å; Q344-K451 HydrophobicContact CB-CB 4.01Å; K451-D453 PolarHBondContact O-N 2.95Å
452	A	97.6	Very high	95.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-74.1	106.5	169.4	0	0	0	0	0	109	N342 N343 Q344 F435 H437	N342-A452 HydrophobicContact CB-CB 4.29Å; N342-A452 WeakPolarHBondContact CB-O 3.41Å; N343-A452 WeakPolarHBondContact OD1-CB 3.43Å; N343-A452 PolarHBondContact OD1-N 3.37Å; N343-A452 PolarHBondContact OD1-O 3.05Å; Q344-A452 CarbonylContact C-O 3.59Å; Q344-A452 WeakPolarHBondContact CA-O 3.29Å; Q344-A452 PolarHBondContact N-O 3.33Å; F435-A452 HydrophobicContact CD1-CB 3.68Å; F435-A452 HydrophobicContact CE1-CB 3.97Å; F435-A452 WeakPolarHBondContact O-CB 3.25Å; H437-A452 WeakPolarHBondContact O-CB 3.07Å
453	D	97.9	Very high	95.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.177	C	C	.	.			trans	-86.1	168.3	-177.7	-168.9	35.2	0	0	0	110.9	N342 Q344 G347 Y348 I349 R446 V450 K451 T455 D456	N342-D453 PolarHBondContact ND2-O 3.12Å; Q344-D453 WeakPolarHBondContact O-CA 3.28Å; G347-D453 WeakPolarHBondContact CA-OD1 3.5Å; G347-D453 PolarHBondContact N-OD1 3.36Å; G347-D453 VanDerWaalsContact N-OD1 3.1Å; Y348-D453 WeakPolarHBondContact CB-OD2 3.36Å; Y348-D453 PolarHBondContact N-OD1 3.41Å; I349-D453 VanDerWaalsContact CB-OD2 3.29Å; I349-D453 WeakPolarHBondContact CB-OD2 3.48Å; I349-D453 WeakPolarHBondContact CG2-OD2 3.47Å; I349-D453 PolarHBondContact N-OD2 3.22Å; R446-D453 IonicContact CZ-OD2 3.59Å; V450-D453 HydrophobicContact CG1-CB 4.03Å; K451-D453 PolarHBondContact O-N 2.95Å; D453-T455 PolarHBondContact O-N 2.98Å; D453-D456 PolarHBondContact N-OD2 3.33Å; D453-D456 WeakPolarHBondContact O-CB 3.46Å; D453-D456 PolarHBondContact O-N 2.94Å
454	H	97.9	Very high	95.7	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.019	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	135.3	178.1	-167.2	65.1	0	0	0	112	S226 E345 I349 L350 F412 D456	S226-H454 WeakPolarHBondContact CB-NE2 3.41Å; S226-H454 PolarHBondContact OG-NE2 2.88Å; E345-H454 VanDerWaalsContact O-CB 3.27Å; E345-H454 WeakPolarHBondContact O-CB 3.32Å; E345-H454 WeakPolarHBondContact OE2-CA 3.33Å; E345-H454 IonicContact OE2-CE1 2.92Å; E345-H454 IonicContact OE2-CG 3.46Å; E345-H454 IonicContact OE2-ND1 3.6Å; E345-H454 PolarHBondContact OE2-ND1 3.36Å; I349-H454 HydrophobicContact CG2-CB 3.69Å; L350-H454 HydrophobicContact CD1-CB 4.15Å; L350-H454 HydrophobicContact CG-CB 4.22Å; F412-H454 AromaticContact CE1-CE1 3.51Å; F412-H454 AromaticContact CZ-CE1 3.72Å; H454-D456 VanDerWaalsContact C-N 3.28Å; H454-D456 PolarHBondContact O-N 2.92Å
455	T	95	Very high	96.2	Very high	31 Å²	31	20.2 Å²	20.2	19%	0.19	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	1.1	-179.4	75.7	0	0	0	0	117.2	N342 D453 E457 I458	N342-T455 PolarHBondContact ND2-N 3.2Å; D453-T455 PolarHBondContact O-N 2.98Å; T455-E457 VanDerWaalsContact C-N 3.25Å; T455-E457 VanDerWaalsContact CA-OE2 3.23Å; T455-E457 WeakPolarHBondContact CA-OE2 3.47Å; T455-E457 PolarHBondContact O-N 3.24Å; T455-I458 HydrophobicContact CG2-CD1 4.09Å; T455-I458 PolarHBondContact O-N 3.16Å
456	D	97.4	Very high	96.6	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.7	-178.9	-80	-10.3	0	0	0	113.6	F435 P439 F442 R446 D453 H454 R459 F460	F435-D456 HydrophobicContact CE1-CB 3.93Å; P439-D456 HydrophobicContact CG-CB 4.32Å; F442-D456 WeakPolarHBondContact CE2-OD1 3.41Å; R446-D456 IonicContact CZ-OD1 3.55Å; R446-D456 VanDerWaalsContact CZ-OD1 3.28Å; R446-D456 IonicContact CZ-OD2 3.8Å; R446-D456 IonicContact NH1-OD1 3.95Å; R446-D456 PolarHBondContact NH1-OD1 2.97Å; R446-D456 IonicContact NH1-OD2 3.8Å; R446-D456 PolarHBondContact NH1-OD2 2.78Å; R446-D456 IonicContact NH2-OD1 3.54Å; R446-D456 PolarHBondContact NH2-OD1 3.43Å; D453-D456 PolarHBondContact N-OD2 3.33Å; D453-D456 WeakPolarHBondContact O-CB 3.46Å; D453-D456 PolarHBondContact O-N 2.94Å; H454-D456 VanDerWaalsContact C-N 3.28Å; H454-D456 PolarHBondContact O-N 2.92Å; D456-R459 WeakPolarHBondContact O-CD 3.47Å; D456-R459 VanDerWaalsContact O-CG 3.26Å; D456-R459 WeakPolarHBondContact O-CG 3.38Å; D456-R459 PolarHBondContact O-NE 2.69Å; D456-F460 WeakPolarHBondContact O-CD2 3.26Å
457	E	98.3	Very high	96.6	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-31.1	-179.8	84.3	-67.3	178.7	0	0	112.9	N342 F435 T455 R459 F460 V461 M488	N342-E457 PolarHBondContact ND2-OE2 3.17Å; N342-E457 PolarHBondContact OD1-OE2 3.14Å; F435-E457 HydrophobicContact CB-CB 4.11Å; F435-E457 HydrophobicContact CD1-CB 3.74Å; F435-E457 HydrophobicContact CD2-CB 3.84Å; F435-E457 HydrophobicContact CE1-CB 4.11Å; F435-E457 HydrophobicContact CE2-CB 4.19Å; F435-E457 HydrophobicContact CG-CB 3.63Å; F435-E457 HydrophobicContact CZ-CB 4.33Å; T455-E457 VanDerWaalsContact C-N 3.25Å; T455-E457 VanDerWaalsContact CA-OE2 3.23Å; T455-E457 WeakPolarHBondContact CA-OE2 3.47Å; T455-E457 PolarHBondContact O-N 3.24Å; E457-R459 PolarHBondContact O-N 3.47Å; E457-F460 WeakPolarHBondContact O-CB 3.42Å; E457-F460 PolarHBondContact O-N 3.08Å; E457-V461 PolarHBondContact O-N 2.93Å; E457-M488 HydrophobicContact CB-CE 4.07Å
458	I	97.8	Very high	96.1	Very high	12 Å²	12	20.8 Å²	20.8	6%	0.062	12%	0.12	C	C	.	.	H	α-helix	trans	-59.5	-37	-171.8	-59.6	-179.6	0	0	0	111.2	W143 F157 T455 F460 V461 F462 M473	W143-I458 HydrophobicContact CH2-CD1 4.02Å; W143-I458 HydrophobicContact CH2-CG1 4.35Å; W143-I458 HydrophobicContact CH2-CG2 4.08Å; W143-I458 HydrophobicContact CZ2-CD1 4.3Å; W143-I458 HydrophobicContact CZ2-CG2 4.2Å; F157-I458 HydrophobicContact CD1-CG2 4.25Å; F157-I458 HydrophobicContact CE1-CG2 3.8Å; T455-I458 HydrophobicContact CG2-CD1 4.09Å; T455-I458 PolarHBondContact O-N 3.16Å; I458-F460 PolarHBondContact O-N 3.1Å; I458-V461 PolarHBondContact O-N 2.85Å; I458-F462 HydrophobicContact CG2-CD2 3.6Å; I458-F462 HydrophobicContact CG2-CE2 3.82Å; I458-F462 WeakPolarHBondContact O-CD2 3.25Å; I458-F462 PolarHBondContact O-N 2.8Å; I458-M473 HydrophobicContact CG2-CE 4.34Å
459	R	96.1	Very high	95.4	Very high	9 Å²	9	17.9 Å²	17.9	3%	0.034	9%	0.093	C	C	.	.	H	α-helix	trans	-62.1	-28	177.9	74	-169.9	59.3	-130.1	-21.5	113	L108 C441 F442 D456 E457 G464 F474	L108-R459 PolarHBondContact O-NH1 2.84Å; L108-R459 PolarHBondContact O-NH2 3.17Å; C441-R459 PolarHBondContact SG-NH1 3.37Å; F442-R459 VanDerWaalsContact CE2-CZ 3.48Å; D456-R459 WeakPolarHBondContact O-CD 3.47Å; D456-R459 VanDerWaalsContact O-CG 3.26Å; D456-R459 WeakPolarHBondContact O-CG 3.38Å; D456-R459 PolarHBondContact O-NE 2.69Å; E457-R459 PolarHBondContact O-N 3.47Å; R459-G464 WeakPolarHBondContact O-CA 3.39Å; R459-G464 PolarHBondContact O-N 3.19Å; R459-F474 HydrophobicContact CB-CB 4.2Å; R459-F474 HydrophobicContact CB-CD1 4Å; R459-F474 HydrophobicContact CB-CG 4.32Å; R459-F474 VanDerWaalsContact CD-CD1 3.46Å; R459-F474 HydrophobicContact CG-CB 4.5Å; R459-F474 HydrophobicContact CG-CD1 3.44Å; R459-F474 VanDerWaalsContact CG-CD1 3.44Å; R459-F474 HydrophobicContact CG-CE1 3.8Å; R459-F474 HydrophobicContact CG-CG 4.08Å
460	F	98.5	Very high	94.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-81.8	-42	176.1	-63.7	-94.8	0	0	0	110.7	F435 H437 P439 D456 E457 I458 F462 G463 F474 E481 L484 S485 M488	F435-F460 HydrophobicContact CE2-CD2 4.1Å; F435-F460 HydrophobicContact CE2-CE2 4.3Å; F435-F460 AromaticContact CZ-CD2 3.76Å; F435-F460 HydrophobicContact CZ-CD2 3.76Å; F435-F460 AromaticContact CZ-CE2 3.61Å; F435-F460 HydrophobicContact CZ-CE2 3.61Å; F435-F460 HydrophobicContact CZ-CZ 4.34Å; H437-F460 AromaticContact CD2-CZ 3.59Å; P439-F460 HydrophobicContact CG-CE2 4.01Å; P439-F460 HydrophobicContact CG-CZ 4.35Å; D456-F460 WeakPolarHBondContact O-CD2 3.26Å; E457-F460 WeakPolarHBondContact O-CB 3.42Å; E457-F460 PolarHBondContact O-N 3.08Å; I458-F460 PolarHBondContact O-N 3.1Å; F460-F462 VanDerWaalsContact C-N 3.3Å; F460-F462 PolarHBondContact O-N 3.5Å; F460-G463 PolarHBondContact O-N 3.36Å; F460-G463 VanDerWaalsContact O-N 3.12Å; F460-F474 HydrophobicContact CD1-CE1 4.18Å; F460-F474 HydrophobicContact CD2-CE1 4.4Å; F460-F474 AromaticContact CE1-CE1 3.59Å; F460-F474 HydrophobicContact CE1-CE1 3.59Å; F460-F474 HydrophobicContact CE1-CZ 4.3Å; F460-F474 AromaticContact CE2-CE1 3.83Å; F460-F474 HydrophobicContact CE2-CE1 3.83Å; F460-F474 HydrophobicContact CE2-CZ 4.44Å; F460-F474 HydrophobicContact CZ-CD1 4.48Å; F460-F474 AromaticContact CZ-CE1 3.37Å; F460-F474 HydrophobicContact CZ-CE1 3.37Å; F460-F474 AromaticContact CZ-CZ 3.83Å; F460-F474 HydrophobicContact CZ-CZ 3.83Å; F460-E481 HydrophobicContact CE1-CB 3.93Å; F460-E481 HydrophobicContact CE1-CG 4.22Å; F460-E481 HydrophobicContact CZ-CB 4.47Å; F460-E481 HydrophobicContact CZ-CG 4.37Å; F460-L484 HydrophobicContact CD1-CB 4.22Å; F460-L484 HydrophobicContact CD1-CD2 4.13Å; F460-L484 HydrophobicContact CD1-CG 4Å; F460-L484 HydrophobicContact CE1-CB 4.27Å; F460-L484 HydrophobicContact CE1-CD2 3.9Å; F460-L484 HydrophobicContact CE1-CG 4.19Å; F460-L484 HydrophobicContact CZ-CD2 4.43Å; F460-S485 PolarHBondContact O-OG 2.58Å; F460-S485 VanDerWaalsContact O-OG 3.07Å; F460-M488 HydrophobicContact CB-CB 4.46Å; F460-M488 HydrophobicContact CB-CE 3.88Å; F460-M488 HydrophobicContact CB-SD 3.42Å; F460-M488 WeakPolarHBondContact CB-SD 3.16Å; F460-M488 HydrophobicContact CG-SD 4Å
461	V	98.6	Very high	94.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.5	-40.4	177.8	176.8	0	0	0	0	111.8	F223 E457 I458 G463 M488 M489 W492	F223-V461 HydrophobicContact CD2-CG1 4.45Å; F223-V461 HydrophobicContact CE2-CG1 4.05Å; E457-V461 PolarHBondContact O-N 2.93Å; I458-V461 PolarHBondContact O-N 2.85Å; V461-G463 VanDerWaalsContact C-N 3.28Å; V461-G463 PolarHBondContact O-N 3.19Å; V461-M488 HydrophobicContact CG2-CE 3.74Å; V461-M489 WeakPolarHBondContact O-CG 3.3Å; V461-W492 VanDerWaalsContact CG1-CD1 3.5Å; V461-W492 HydrophobicContact CG1-CD2 4.34Å; V461-W492 HydrophobicContact CG1-CG 4.02Å; V461-W492 HydrophobicContact CG2-CD2 4.17Å; V461-W492 HydrophobicContact CG2-CH2 4.18Å; V461-W492 HydrophobicContact CG2-CZ2 3.61Å
462	F	98.1	Very high	94.4	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-2.7	179.5	-84.1	-91.5	0	0	0	114.4	W143 F157 F223 I458 F460 G464 M473	W143-F462 HydrophobicContact CB-CZ 4.15Å; W143-F462 AromaticContact CD1-CZ 3.96Å; W143-F462 AromaticContact CD2-CE2 3.84Å; W143-F462 HydrophobicContact CD2-CE2 3.84Å; W143-F462 AromaticContact CD2-CZ 3.5Å; W143-F462 HydrophobicContact CD2-CZ 3.5Å; W143-F462 VanDerWaalsContact CD2-CZ 3.5Å; W143-F462 AromaticContact CE2-CE2 3.87Å; W143-F462 AromaticContact CE2-CZ 3.78Å; W143-F462 AromaticContact CE3-CE2 3.86Å; W143-F462 HydrophobicContact CE3-CE2 3.86Å; W143-F462 AromaticContact CE3-CZ 3.84Å; W143-F462 HydrophobicContact CE3-CZ 3.84Å; W143-F462 HydrophobicContact CG-CE2 4.44Å; W143-F462 AromaticContact CG-CZ 3.64Å; W143-F462 HydrophobicContact CG-CZ 3.64Å; W143-F462 AromaticContact CH2-CE2 3.96Å; W143-F462 HydrophobicContact CH2-CE2 3.96Å; W143-F462 AromaticContact CZ2-CE2 3.96Å; W143-F462 HydrophobicContact CZ2-CE2 3.96Å; W143-F462 HydrophobicContact CZ2-CZ 4.34Å; W143-F462 AromaticContact CZ3-CE2 3.9Å; W143-F462 HydrophobicContact CZ3-CE2 3.9Å; W143-F462 HydrophobicContact CZ3-CZ 4.36Å; F157-F462 HydrophobicContact CB-CD1 4.31Å; F157-F462 HydrophobicContact CB-CE1 3.81Å; F157-F462 HydrophobicContact CB-CZ 4.04Å; F157-F462 HydrophobicContact CD1-CD2 4.32Å; F157-F462 HydrophobicContact CD1-CE2 4.02Å; F157-F462 HydrophobicContact CD1-CZ 4.12Å; F157-F462 HydrophobicContact CG-CZ 4.29Å; F223-F462 HydrophobicContact CE2-CE2 4.01Å; F223-F462 AromaticContact CE2-CZ 3.97Å; F223-F462 HydrophobicContact CE2-CZ 3.97Å; F223-F462 HydrophobicContact CZ-CE1 4.41Å; F223-F462 HydrophobicContact CZ-CE2 4.34Å; F223-F462 AromaticContact CZ-CZ 3.83Å; F223-F462 HydrophobicContact CZ-CZ 3.83Å; I458-F462 HydrophobicContact CG2-CD2 3.6Å; I458-F462 HydrophobicContact CG2-CE2 3.82Å; I458-F462 WeakPolarHBondContact O-CD2 3.25Å; I458-F462 PolarHBondContact O-N 2.8Å; F460-F462 VanDerWaalsContact C-N 3.3Å; F460-F462 PolarHBondContact O-N 3.5Å; F462-G464 VanDerWaalsContact C-N 3.32Å; F462-M473 HydrophobicContact CB-CE 3.7Å; F462-M473 HydrophobicContact CB-SD 3.83Å; F462-M473 HydrophobicContact CD2-CE 4.11Å; F462-M473 HydrophobicContact CG-CE 3.86Å; F462-M473 HydrophobicContact CG-SD 4.23Å
463	G	97.8	Very high	94.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	33.3	-175.2	0	0	0	0	0	112.8	A161 F460 V461 P465 F466 M489	A161-G463 WeakPolarHBondContact CB-O 3.29Å; F460-G463 PolarHBondContact O-N 3.36Å; F460-G463 VanDerWaalsContact O-N 3.12Å; V461-G463 VanDerWaalsContact C-N 3.28Å; V461-G463 PolarHBondContact O-N 3.19Å; G463-P465 VanDerWaalsContact C-N 3.3Å; G463-P465 VanDerWaalsContact O-N 3.15Å; G463-F466 PolarHBondContact O-N 3.48Å; G463-M489 WeakPolarHBondContact CA-SD 3.41Å
464	G	96.6	Very high	93.8	Very high	3 Å²	3	19 Å²	19	3%	0.031	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-46.7	-40.6	-177.1	0	0	0	0	0	115.8	R459 F462 F466 L467	R459-G464 WeakPolarHBondContact O-CA 3.39Å; R459-G464 PolarHBondContact O-N 3.19Å; F462-G464 VanDerWaalsContact C-N 3.32Å; G464-F466 PolarHBondContact O-N 3.13Å; G464-F466 VanDerWaalsContact O-N 3.13Å; G464-L467 PolarHBondContact O-N 3.31Å
465	P	96.6	Very high	93.1	Very high	15 Å²	15	22.6 Å²	22.6	10%	0.097	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-60.9	-19.3	176.8	-28	38	0	0	0	115	G463 F474 A477 E482	G463-P465 VanDerWaalsContact C-N 3.3Å; G463-P465 VanDerWaalsContact O-N 3.15Å; P465-F474 HydrophobicContact CG-CB 4.18Å; P465-F474 HydrophobicContact CG-CD1 3.5Å; P465-F474 HydrophobicContact CG-CE1 4.06Å; P465-F474 HydrophobicContact CG-CG 4.02Å; P465-A477 HydrophobicContact CB-CB 3.74Å; P465-A477 HydrophobicContact CG-CB 3.63Å; P465-E482 HydrophobicContact CB-CG 3.85Å
466	F	96.3	Very high	92.7	Very high	3 Å²	3	28.2 Å²	28.2	1%	0.013	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-106.2	6.9	-173	-47.6	-63.4	0	0	0	113.3	V47 Q48 A161 Y165 G463 G464 N468 E482 R486 M489	V47-F466 WeakPolarHBondContact CB-O 3.38Å; Q48-F466 PolarHBondContact N-O 2.99Å; A161-F466 HydrophobicContact CB-CB 4.14Å; Y165-F466 HydrophobicContact CE2-CB 3.84Å; Y165-F466 HydrophobicContact CE2-CD2 4.16Å; Y165-F466 AromaticContact CE2-CG 3.92Å; Y165-F466 HydrophobicContact CE2-CG 3.92Å; Y165-F466 AromaticContact CZ-CG 3.97Å; G463-F466 PolarHBondContact O-N 3.48Å; G464-F466 PolarHBondContact O-N 3.13Å; G464-F466 VanDerWaalsContact O-N 3.13Å; F466-N468 PolarHBondContact O-OD1 3.01Å; F466-E482 HydrophobicContact CE1-CB 3.98Å; F466-E482 HydrophobicContact CE1-CG 3.84Å; F466-E482 HydrophobicContact CZ-CB 3.79Å; F466-E482 HydrophobicContact CZ-CG 4.06Å; F466-R486 HydrophobicContact CE2-CG 3.89Å; F466-R486 HydrophobicContact CZ-CG 3.71Å; F466-M489 HydrophobicContact CD2-CE 3.81Å; F466-M489 HydrophobicContact CE2-CE 3.69Å
467	L	93.9	Very high	92.6	Very high	24 Å²	24	29.2 Å²	29.2	13%	0.126	16%	0.156	C	C	.	.			trans	-83.2	140.2	-178.3	-67.2	176.2	0	0	0	111.7	D158 A161 G464 M473	D158-L467 HydrophobicContact CB-CD1 3.99Å; D158-L467 HydrophobicContact CB-CD2 3.98Å; A161-L467 HydrophobicContact CB-CD2 3.72Å; A161-L467 HydrophobicContact CB-CG 4.33Å; G464-L467 PolarHBondContact O-N 3.31Å; L467-M473 HydrophobicContact CD1-CB 4.06Å; L467-M473 HydrophobicContact CD1-CG 3.8Å; L467-M473 HydrophobicContact CD1-SD 3.8Å
468	N	82.1	Confident	92.5	Very high	86 Å²	86	30.6 Å²	30.6	46%	0.46	17%	0.165	S	C	.	.			trans	-127.1	24.5	-176.3	-47.2	28.6	0	0	0	110.5	Q48 F466	Q48-N468 VanDerWaalsContact CB-OD1 3.27Å; Q48-N468 WeakPolarHBondContact CB-OD1 3.3Å; Q48-N468 PolarHBondContact N-ND2 3.36Å; Q48-N468 PolarHBondContact N-OD1 2.94Å; F466-N468 PolarHBondContact O-OD1 3.01Å
469	S	79.5	Confident	92.5	Very high	39 Å²	39	37.4 Å²	37.4	27%	0.273	20%	0.196	S	C	.	.	S	Bend	trans	-107.1	-177	-171.1	72.6	0	0	0	0	112.1	D158 I471	D158-S469 WeakPolarHBondContact OD2-CB 3.19Å; D158-S469 PolarHBondContact OD2-OG 2.94Å; S469-I471 PolarHBondContact O-N 3.15Å; S469-I471 VanDerWaalsContact O-N 3.13Å; S469-I471 PolarHBondContact OG-N 3.49Å; S469-I471 PolarHBondContact OG-O 2.88Å
470	D	84.1	Confident	92.6	Very high	113 Å²	113	42.2 Å²	42.2	60%	0.604	22%	0.219	S	C	*	.	S	Bend	trans	-64.6	-8.8	173.5	-56.9	-40.1	0	0	0	113.1	P113	P113-D470 HydrophobicContact CB-CB 4.37Å; P113-D470 HydrophobicContact CG-CB 4.49Å
471	I	90.9	Very high	92.6	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	22%	0.219	C	C	.	.			trans	-109.3	117.9	176.7	-60.3	171.4	0	0	0	108.7	Y90 Q111 Y112 P113 S155 D158 S469 M473	Y90-I471 HydrophobicContact CE1-CD1 4.28Å; Y90-I471 HydrophobicContact CE2-CD1 4.07Å; Y90-I471 VanDerWaalsContact OH-CD1 3.22Å; Y90-I471 WeakPolarHBondContact OH-CD1 3.45Å; Q111-I471 WeakPolarHBondContact O-CA 3.38Å; Y112-I471 HydrophobicContact CD1-CG2 4.42Å; P113-I471 HydrophobicContact CG-CG1 4.45Å; S155-I471 WeakPolarHBondContact O-CD1 3.35Å; D158-I471 HydrophobicContact CB-CB 4.42Å; D158-I471 HydrophobicContact CB-CD1 4.35Å; S469-I471 PolarHBondContact O-N 3.15Å; S469-I471 VanDerWaalsContact O-N 3.13Å; S469-I471 PolarHBondContact OG-N 3.49Å; S469-I471 PolarHBondContact OG-O 2.88Å; I471-M473 HydrophobicContact CG2-CG 3.9Å
472	V	91.6	Very high	92.5	Very high	37 Å²	37	44.5 Å²	44.5	22%	0.224	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-102.3	115.9	172.1	-177.7	0	0	0	0	108.2	V110 Q111 E475	V110-V472 CarbonylContact C-O 3.57Å; V110-V472 WeakPolarHBondContact CA-O 3.46Å; V110-V472 VanDerWaalsContact CB-O 3.24Å; V110-V472 WeakPolarHBondContact CB-O 3.45Å; Q111-V472 HydrophobicContact CB-CB 3.8Å; Q111-V472 HydrophobicContact CB-CG2 3.95Å; Q111-V472 HydrophobicContact CG-CB 3.95Å; Q111-V472 HydrophobicContact CG-CG2 4.16Å; Q111-V472 PolarHBondContact N-O 3.33Å; Q111-V472 PolarHBondContact O-N 2.98Å; V472-E475 HydrophobicContact CG1-CB 4Å
473	M	91.5	Very high	92.5	Very high	13 Å²	13	46.4 Å²	46.4	6%	0.064	24%	0.243	C	C	.	.	S	Bend	trans	-100.9	-24.3	178.7	-65.9	-174.9	69.1	0	0	113.4	F157 I458 F462 L467 I471	F157-M473 HydrophobicContact CD1-CE 3.68Å; F157-M473 HydrophobicContact CE1-CE 4.21Å; I458-M473 HydrophobicContact CG2-CE 4.34Å; F462-M473 HydrophobicContact CB-CE 3.7Å; F462-M473 HydrophobicContact CB-SD 3.83Å; F462-M473 HydrophobicContact CD2-CE 4.11Å; F462-M473 HydrophobicContact CG-CE 3.86Å; F462-M473 HydrophobicContact CG-SD 4.23Å; L467-M473 HydrophobicContact CD1-CB 4.06Å; L467-M473 HydrophobicContact CD1-CG 3.8Å; L467-M473 HydrophobicContact CD1-SD 3.8Å; I471-M473 HydrophobicContact CG2-CG 3.9Å
474	F	91.9	Very high	92.6	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.035	24%	0.243	C	C	.	.			trans	-152.2	96	-179.1	-159.2	165.3	0	0	0	110.3	P439 C441 R459 F460 P465 A477 E481	P439-F474 HydrophobicContact CB-CE2 4.35Å; P439-F474 HydrophobicContact CB-CZ 4.06Å; C441-F474 HydrophobicContact CB-CE2 4.39Å; R459-F474 HydrophobicContact CB-CB 4.2Å; R459-F474 HydrophobicContact CB-CD1 4Å; R459-F474 HydrophobicContact CB-CG 4.32Å; R459-F474 VanDerWaalsContact CD-CD1 3.46Å; R459-F474 HydrophobicContact CG-CB 4.5Å; R459-F474 HydrophobicContact CG-CD1 3.44Å; R459-F474 VanDerWaalsContact CG-CD1 3.44Å; R459-F474 HydrophobicContact CG-CE1 3.8Å; R459-F474 HydrophobicContact CG-CG 4.08Å; F460-F474 HydrophobicContact CD1-CE1 4.18Å; F460-F474 HydrophobicContact CD2-CE1 4.4Å; F460-F474 AromaticContact CE1-CE1 3.59Å; F460-F474 HydrophobicContact CE1-CE1 3.59Å; F460-F474 HydrophobicContact CE1-CZ 4.3Å; F460-F474 AromaticContact CE2-CE1 3.83Å; F460-F474 HydrophobicContact CE2-CE1 3.83Å; F460-F474 HydrophobicContact CE2-CZ 4.44Å; F460-F474 HydrophobicContact CZ-CD1 4.48Å; F460-F474 AromaticContact CZ-CE1 3.37Å; F460-F474 HydrophobicContact CZ-CE1 3.37Å; F460-F474 AromaticContact CZ-CZ 3.83Å; F460-F474 HydrophobicContact CZ-CZ 3.83Å; P465-F474 HydrophobicContact CG-CB 4.18Å; P465-F474 HydrophobicContact CG-CD1 3.5Å; P465-F474 HydrophobicContact CG-CE1 4.06Å; P465-F474 HydrophobicContact CG-CG 4.02Å; F474-A477 HydrophobicContact CD1-CB 4.22Å; F474-A477 HydrophobicContact CD2-CB 3.94Å; F474-A477 HydrophobicContact CE1-CB 4.05Å; F474-A477 HydrophobicContact CE2-CB 3.78Å; F474-A477 HydrophobicContact CG-CB 4.17Å; F474-A477 HydrophobicContact CZ-CB 3.85Å; F474-E481 HydrophobicContact CE1-CB 4.38Å; F474-E481 HydrophobicContact CZ-CB 4.21Å; F474-E481 HydrophobicContact CZ-CG 4.36Å; F474-E481 WeakPolarHBondContact CZ-OE2 3.42Å
475	E	82.8	Confident	92.7	Very high	80 Å²	80	46.3 Å²	46.3	37%	0.374	24%	0.242	S	C	.	.	S	Bend	trans	-84	142.8	174.2	-172.5	164	-154.2	0	0	110.6	Q111 V472 A477	Q111-E475 PolarHBondContact NE2-OE2 3.3Å; V472-E475 HydrophobicContact CG1-CB 4Å; E475-A477 PolarHBondContact O-N 2.9Å
476	E	86.4	Confident	92.7	Very high	148 Å²	148	50.2 Å²	50.2	69%	0.692	26%	0.255	S	S	*	.	S	Bend	trans	58.9	37.7	173.3	-64.4	166.4	173.8	0	0	115.1
477	A	94.8	Very high	92.8	Very high	22 Å²	22	52.9 Å²	52.9	18%	0.182	27%	0.266	C	S	.	.			trans	-66.4	142.7	174.3	0	0	0	0	0	112	P465 F474 E475 E481	P465-A477 HydrophobicContact CB-CB 3.74Å; P465-A477 HydrophobicContact CG-CB 3.63Å; F474-A477 HydrophobicContact CD1-CB 4.22Å; F474-A477 HydrophobicContact CD2-CB 3.94Å; F474-A477 HydrophobicContact CE1-CB 4.05Å; F474-A477 HydrophobicContact CE2-CB 3.78Å; F474-A477 HydrophobicContact CG-CB 4.17Å; F474-A477 HydrophobicContact CZ-CB 3.85Å; E475-A477 PolarHBondContact O-N 2.9Å; A477-E481 WeakPolarHBondContact CA-OE2 3.32Å; A477-E481 HydrophobicContact CB-CB 4.22Å
478	T	97.1	Very high	93.1	Very high	30 Å²	30	51.8 Å²	51.8	18%	0.184	26%	0.26	C	S	.	.			trans	-75.6	166.2	173.4	78.8	0	0	0	0	112.6	Q440 E480 E481 E482	Q440-T478 HydrophobicContact CB-CG2 4.33Å; T478-E480 WeakPolarHBondContact CB-OE2 3.5Å; T478-E480 PolarHBondContact O-N 3.18Å; T478-E480 PolarHBondContact OG1-N 3.28Å; T478-E480 PolarHBondContact OG1-OE2 2.9Å; T478-E481 PolarHBondContact N-OE2 3.12Å; T478-E481 PolarHBondContact O-N 3.24Å; T478-E481 VanDerWaalsContact O-N 3.13Å; T478-E481 PolarHBondContact OG1-N 2.89Å; T478-E481 VanDerWaalsContact OG1-N 3.12Å; T478-E482 WeakPolarHBondContact O-CG 3.22Å; T478-E482 PolarHBondContact O-N 3.45Å
479	E	97.2	Very high	93.9	Very high	155 Å²	155	47.7 Å²	47.7	72%	0.724	24%	0.238	S	C	*	.	H	α-helix	trans	-59.5	-35.4	173.4	-65.7	-172.9	-179.6	0	0	112.3	S483	E479-S483 WeakPolarHBondContact O-CB 3.02Å; E479-S483 PolarHBondContact O-N 3.46Å
480	E	98.1	Very high	94.8	Very high	110 Å²	110	49.1 Å²	49.1	51%	0.514	24%	0.24	S	C	.	.	H	α-helix	trans	-68.8	-38.9	175	-59	79.8	-174.1	0	0	111.9	T478 S483 L484 L523	T478-E480 WeakPolarHBondContact CB-OE2 3.5Å; T478-E480 PolarHBondContact O-N 3.18Å; T478-E480 PolarHBondContact OG1-N 3.28Å; T478-E480 PolarHBondContact OG1-OE2 2.9Å; E480-S483 WeakPolarHBondContact O-CB 3.42Å; E480-S483 PolarHBondContact O-N 3.08Å; E480-L484 PolarHBondContact O-N 2.77Å; E480-L523 HydrophobicContact CB-CD1 4.12Å; E480-L523 HydrophobicContact CB-CD2 3.91Å
481	E	98.2	Very high	95.5	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-69.4	-39.8	175.9	-73.1	178.6	145.3	0	0	112.2	H437 P439 Q440 F460 F474 A477 T478 S483 L484 S485 L523	H437-E481 IonicContact CD2-OE1 2.79Å; H437-E481 IonicContact CE1-OE1 3.22Å; H437-E481 WeakPolarHBondContact NE2-CG 3.47Å; H437-E481 IonicContact NE2-OE1 3.33Å; H437-E481 PolarHBondContact NE2-OE1 3.04Å; P439-E481 VanDerWaalsContact CA-OE1 3.25Å; P439-E481 WeakPolarHBondContact CA-OE1 3.16Å; Q440-E481 PolarHBondContact N-OE1 3.36Å; F460-E481 HydrophobicContact CE1-CB 3.93Å; F460-E481 HydrophobicContact CE1-CG 4.22Å; F460-E481 HydrophobicContact CZ-CB 4.47Å; F460-E481 HydrophobicContact CZ-CG 4.37Å; F474-E481 HydrophobicContact CE1-CB 4.38Å; F474-E481 HydrophobicContact CZ-CB 4.21Å; F474-E481 HydrophobicContact CZ-CG 4.36Å; F474-E481 WeakPolarHBondContact CZ-OE2 3.42Å; A477-E481 WeakPolarHBondContact CA-OE2 3.32Å; A477-E481 HydrophobicContact CB-CB 4.22Å; T478-E481 PolarHBondContact N-OE2 3.12Å; T478-E481 PolarHBondContact O-N 3.24Å; T478-E481 VanDerWaalsContact O-N 3.13Å; T478-E481 PolarHBondContact OG1-N 2.89Å; T478-E481 VanDerWaalsContact OG1-N 3.12Å; E481-S483 VanDerWaalsContact C-N 3.28Å; E481-S483 PolarHBondContact O-N 3.3Å; E481-L484 PolarHBondContact O-N 3.46Å; E481-S485 WeakPolarHBondContact O-CB 3.3Å; E481-S485 PolarHBondContact O-N 3.49Å; E481-L523 HydrophobicContact CG-CD2 4.28Å
482	E	97.9	Very high	95.9	Very high	46 Å²	46	43.7 Å²	43.7	22%	0.215	21%	0.211	C	C	.	.	H	α-helix	trans	-58.9	-42	168.8	-75.1	-171.6	-176.8	0	0	111.3	P465 F466 T478 S485 R486	P465-E482 HydrophobicContact CB-CG 3.85Å; F466-E482 HydrophobicContact CE1-CB 3.98Å; F466-E482 HydrophobicContact CE1-CG 3.84Å; F466-E482 HydrophobicContact CZ-CB 3.79Å; F466-E482 HydrophobicContact CZ-CG 4.06Å; T478-E482 WeakPolarHBondContact O-CG 3.22Å; T478-E482 PolarHBondContact O-N 3.45Å; E482-S485 WeakPolarHBondContact O-CB 3.15Å; E482-S485 PolarHBondContact O-N 3.43Å; E482-R486 WeakPolarHBondContact O-CG 3.27Å; E482-R486 PolarHBondContact O-N 3.22Å; E482-R486 IonicContact OE2-NH1 3.59Å; E482-R486 PolarHBondContact OE2-NH1 3.37Å
483	S	97.9	Very high	96.2	Very high	40 Å²	40	42 Å²	42	28%	0.28	20%	0.2	S	C	.	.	H	α-helix	trans	-63.6	-42.7	176.5	-170.1	0	0	0	0	111.8	E479 E480 E481 R486 K487	E479-S483 WeakPolarHBondContact O-CB 3.02Å; E479-S483 PolarHBondContact O-N 3.46Å; E480-S483 WeakPolarHBondContact O-CB 3.42Å; E480-S483 PolarHBondContact O-N 3.08Å; E481-S483 VanDerWaalsContact C-N 3.28Å; E481-S483 PolarHBondContact O-N 3.3Å; S483-R486 PolarHBondContact O-N 3.07Å; S483-K487 WeakPolarHBondContact O-CG 3.21Å; S483-K487 PolarHBondContact O-N 2.91Å; S483-K487 VanDerWaalsContact O-N 3.13Å
484	L	98.5	Very high	96.6	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-62	-44.8	173.4	179.1	57.2	0	0	0	111.3	F435 H437 F460 E480 E481 R486 K487 M488 L523 I525	F435-L484 HydrophobicContact CE2-CD2 4.19Å; H437-L484 HydrophobicContact CB-CD2 4.01Å; F460-L484 HydrophobicContact CD1-CB 4.22Å; F460-L484 HydrophobicContact CD1-CD2 4.13Å; F460-L484 HydrophobicContact CD1-CG 4Å; F460-L484 HydrophobicContact CE1-CB 4.27Å; F460-L484 HydrophobicContact CE1-CD2 3.9Å; F460-L484 HydrophobicContact CE1-CG 4.19Å; F460-L484 HydrophobicContact CZ-CD2 4.43Å; E480-L484 PolarHBondContact O-N 2.77Å; E481-L484 PolarHBondContact O-N 3.46Å; L484-R486 PolarHBondContact O-N 2.93Å; L484-K487 WeakPolarHBondContact O-CB 3.26Å; L484-K487 PolarHBondContact O-N 3.36Å; L484-K487 VanDerWaalsContact O-N 3.12Å; L484-M488 HydrophobicContact CD1-CG 4.18Å; L484-M488 HydrophobicContact CD1-SD 4.15Å; L484-M488 HydrophobicContact CG-SD 4.06Å; L484-M488 WeakPolarHBondContact O-CG 3.24Å; L484-M488 PolarHBondContact O-N 2.83Å; L484-L523 HydrophobicContact CB-CD2 4.32Å; L484-L523 HydrophobicContact CD2-CD2 4.16Å; L484-I525 HydrophobicContact CD1-CD1 4.28Å; L484-I525 HydrophobicContact CD1-CG1 4.37Å
485	S	98.6	Very high	96.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-57.4	-47.9	177	-179.9	0	0	0	0	111.8	F460 E481 E482 K487 M488 M489	F460-S485 PolarHBondContact O-OG 2.58Å; F460-S485 VanDerWaalsContact O-OG 3.07Å; E481-S485 WeakPolarHBondContact O-CB 3.3Å; E481-S485 PolarHBondContact O-N 3.49Å; E482-S485 WeakPolarHBondContact O-CB 3.15Å; E482-S485 PolarHBondContact O-N 3.43Å; S485-K487 VanDerWaalsContact C-N 3.33Å; S485-K487 PolarHBondContact O-N 3.12Å; S485-M488 PolarHBondContact O-N 3.42Å; S485-M489 WeakPolarHBondContact O-CG 3.44Å; S485-M489 PolarHBondContact O-N 3.46Å
486	R	98.1	Very high	97.7	Very high	98 Å²	98	38 Å²	38	37%	0.37	18%	0.182	S	C	.	.	H	α-helix	trans	-58.9	-41.1	174.5	-71.6	-173	-64.7	-97.1	0.2	112.7	F466 E482 S483 L484 M489 K490	F466-R486 HydrophobicContact CE2-CG 3.89Å; F466-R486 HydrophobicContact CZ-CG 3.71Å; E482-R486 WeakPolarHBondContact O-CG 3.27Å; E482-R486 PolarHBondContact O-N 3.22Å; E482-R486 IonicContact OE2-NH1 3.59Å; E482-R486 PolarHBondContact OE2-NH1 3.37Å; S483-R486 PolarHBondContact O-N 3.07Å; L484-R486 PolarHBondContact O-N 2.93Å; R486-M489 HydrophobicContact CG-CE 4.33Å; R486-K490 WeakPolarHBondContact O-CB 3.46Å; R486-K490 PolarHBondContact O-N 3.45Å; R486-K490 VanDerWaalsContact O-N 3.08Å
487	K	98.6	Very high	98.2	Very high	59 Å²	59	34.7 Å²	34.7	26%	0.257	16%	0.163	S	C	.	.	H	α-helix	trans	-66.3	-43.4	177.5	-68.4	170.4	-171.1	170.4	0	111.6	S483 L484 S485 K490 Y491 L506 I525	S483-K487 WeakPolarHBondContact O-CG 3.21Å; S483-K487 PolarHBondContact O-N 2.91Å; S483-K487 VanDerWaalsContact O-N 3.13Å; L484-K487 WeakPolarHBondContact O-CB 3.26Å; L484-K487 PolarHBondContact O-N 3.36Å; L484-K487 VanDerWaalsContact O-N 3.12Å; S485-K487 VanDerWaalsContact C-N 3.33Å; S485-K487 PolarHBondContact O-N 3.12Å; K487-K490 WeakPolarHBondContact O-CB 3.35Å; K487-K490 PolarHBondContact O-N 3.02Å; K487-Y491 WeakPolarHBondContact O-CD2 3.41Å; K487-Y491 PolarHBondContact O-N 3.43Å; K487-L506 HydrophobicContact CB-CD2 3.91Å; K487-L506 HydrophobicContact CG-CD2 4.04Å; K487-I525 HydrophobicContact CB-CD1 4.28Å; K487-I525 HydrophobicContact CD-CD1 3.74Å
488	M	98.8	Very high	98.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.2	-50.3	178.2	-72.4	179.3	66.8	0	0	111.5	F435 E457 F460 V461 L484 S485 K490 Y491 W492 L521	F435-M488 HydrophobicContact CD2-CE 4.1Å; F435-M488 HydrophobicContact CD2-SD 4.15Å; F435-M488 HydrophobicContact CE2-CE 4.18Å; F435-M488 HydrophobicContact CE2-SD 3.84Å; E457-M488 HydrophobicContact CB-CE 4.07Å; F460-M488 HydrophobicContact CB-CB 4.46Å; F460-M488 HydrophobicContact CB-CE 3.88Å; F460-M488 HydrophobicContact CB-SD 3.42Å; F460-M488 WeakPolarHBondContact CB-SD 3.16Å; F460-M488 HydrophobicContact CG-SD 4Å; V461-M488 HydrophobicContact CG2-CE 3.74Å; L484-M488 HydrophobicContact CD1-CG 4.18Å; L484-M488 HydrophobicContact CD1-SD 4.15Å; L484-M488 HydrophobicContact CG-SD 4.06Å; L484-M488 WeakPolarHBondContact O-CG 3.24Å; L484-M488 PolarHBondContact O-N 2.83Å; S485-M488 PolarHBondContact O-N 3.42Å; M488-K490 PolarHBondContact O-N 2.84Å; M488-Y491 PolarHBondContact O-N 2.87Å; M488-Y491 VanDerWaalsContact O-N 3.13Å; M488-W492 HydrophobicContact CB-CE3 4.37Å; M488-W492 HydrophobicContact CB-CZ3 4.17Å; M488-W492 HydrophobicContact CE-CH2 3.87Å; M488-W492 HydrophobicContact CE-CZ3 4.2Å; M488-W492 HydrophobicContact CG-CZ3 4.28Å; M488-W492 PolarHBondContact O-N 2.91Å; M488-L521 HydrophobicContact CE-CD1 4.16Å; M488-L521 HydrophobicContact CG-CD1 4.45Å; M488-L521 HydrophobicContact CG-CD2 4.41Å; M488-L521 HydrophobicContact SD-CD1 4.49Å
489	M	98.8	Very high	98.4	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-51.7	-43.5	173	-70.3	-164.6	-69.1	0	0	111.4	L162 Y165 E166 V461 G463 F466 S485 R486 W492 A493	L162-M489 HydrophobicContact CB-SD 4.3Å; L162-M489 HydrophobicContact CD1-CB 3.7Å; L162-M489 HydrophobicContact CD1-CG 3.76Å; L162-M489 HydrophobicContact CD1-SD 4.11Å; Y165-M489 HydrophobicContact CD1-CE 4.34Å; Y165-M489 HydrophobicContact CD2-CE 4.35Å; Y165-M489 HydrophobicContact CG-CE 3.99Å; E166-M489 HydrophobicContact CG-CB 3.94Å; V461-M489 WeakPolarHBondContact O-CG 3.3Å; G463-M489 WeakPolarHBondContact CA-SD 3.41Å; F466-M489 HydrophobicContact CD2-CE 3.81Å; F466-M489 HydrophobicContact CE2-CE 3.69Å; S485-M489 WeakPolarHBondContact O-CG 3.44Å; S485-M489 PolarHBondContact O-N 3.46Å; R486-M489 HydrophobicContact CG-CE 4.33Å; M489-W492 PolarHBondContact O-N 2.83Å; M489-A493 WeakPolarHBondContact O-CB 3.45Å; M489-A493 PolarHBondContact O-N 2.86Å
490	K	98.7	Very high	98.5	Very high	70 Å²	70	31.5 Å²	31.5	30%	0.304	15%	0.154	S	C	.	.	H	α-helix	trans	-62.6	-46.4	179.2	-167.2	64.7	174.9	-176.6	0	113.1	E166 R486 K487 M488 A493 N494 L506	E166-K490 VanDerWaalsContact OE1-CD 3.23Å; E166-K490 WeakPolarHBondContact OE1-CD 3Å; E166-K490 IonicContact OE1-NZ 3.67Å; E166-K490 WeakPolarHBondContact OE2-CD 3.36Å; E166-K490 IonicContact OE2-NZ 3.65Å; E166-K490 PolarHBondContact OE2-NZ 3.33Å; R486-K490 WeakPolarHBondContact O-CB 3.46Å; R486-K490 PolarHBondContact O-N 3.45Å; R486-K490 VanDerWaalsContact O-N 3.08Å; K487-K490 WeakPolarHBondContact O-CB 3.35Å; K487-K490 PolarHBondContact O-N 3.02Å; M488-K490 PolarHBondContact O-N 2.84Å; K490-A493 PolarHBondContact O-N 3.24Å; K490-N494 VanDerWaalsContact O-CB 3.28Å; K490-N494 WeakPolarHBondContact O-CB 3.46Å; K490-N494 PolarHBondContact O-N 3.47Å; K490-N494 PolarHBondContact O-ND2 3.16Å; K490-L506 HydrophobicContact CB-CD1 4.01Å; K490-L506 HydrophobicContact CB-CD2 4.2Å; K490-L506 HydrophobicContact CG-CD1 3.55Å; K490-L506 HydrophobicContact CG-CD2 4.31Å; K490-L506 HydrophobicContact CG-CG 4.13Å
491	Y	98.9	Very high	98.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.6	-48.6	176.4	-75.6	-59.6	0	0	0	111.6	K487 M488 A493 N494 F495 P501 L506 P507 W509 L519 L521 I525	K487-Y491 WeakPolarHBondContact O-CD2 3.41Å; K487-Y491 PolarHBondContact O-N 3.43Å; M488-Y491 PolarHBondContact O-N 2.87Å; M488-Y491 VanDerWaalsContact O-N 3.13Å; Y491-A493 PolarHBondContact O-N 3.39Å; Y491-N494 PolarHBondContact O-N 2.97Å; Y491-F495 WeakPolarHBondContact O-CB 3.16Å; Y491-F495 PolarHBondContact O-N 3.27Å; Y491-P501 HydrophobicContact CD1-CB 3.95Å; Y491-P501 VanDerWaalsContact CD1-O 3.31Å; Y491-P501 WeakPolarHBondContact CD1-O 3.38Å; Y491-P501 WeakPolarHBondContact O-CA 3.48Å; Y491-L506 HydrophobicContact CD1-CB 4.47Å; Y491-L506 HydrophobicContact CD1-CD1 3.61Å; Y491-L506 HydrophobicContact CD1-CG 4.43Å; Y491-L506 HydrophobicContact CD2-CD2 4.33Å; Y491-L506 HydrophobicContact CE1-CB 3.71Å; Y491-L506 HydrophobicContact CE1-CD1 3.71Å; Y491-L506 HydrophobicContact CE1-CD2 4.23Å; Y491-L506 HydrophobicContact CE1-CG 4.1Å; Y491-L506 HydrophobicContact CE2-CD2 4.01Å; Y491-L506 HydrophobicContact CG-CD1 4.12Å; Y491-P507 WeakPolarHBondContact OH-CB 3.37Å; Y491-P507 VanDerWaalsContact OH-CD 3.29Å; Y491-P507 WeakPolarHBondContact OH-CD 3.37Å; Y491-P507 PolarHBondContact OH-O 3.25Å; Y491-W509 AromaticContact CD1-CE3 3.69Å; Y491-W509 HydrophobicContact CD1-CE3 3.69Å; Y491-W509 HydrophobicContact CD1-CZ3 4.33Å; Y491-W509 HydrophobicContact CD2-CE3 4.27Å; Y491-W509 HydrophobicContact CD2-CZ3 4.34Å; Y491-W509 HydrophobicContact CE1-CB 4.22Å; Y491-W509 HydrophobicContact CE1-CE3 4.1Å; Y491-W509 AromaticContact CG-CE3 3.8Å; Y491-W509 HydrophobicContact CG-CE3 3.8Å; Y491-W509 AromaticContact CG-CZ3 3.98Å; Y491-W509 HydrophobicContact CG-CZ3 3.98Å; Y491-L519 HydrophobicContact CD2-CD2 4.5Å; Y491-L519 HydrophobicContact CE1-CD2 4.44Å; Y491-L519 HydrophobicContact CE2-CD2 3.88Å; Y491-L521 HydrophobicContact CE2-CD2 4.35Å; Y491-I525 HydrophobicContact CE2-CD1 4.09Å
492	W	98.9	Very high	98.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62	-43.3	-179.1	-92.7	-117.9	0	0	0	111.4	M141 I249 E251 Y433 V461 M488 M489 F495 A496 W509 L521	M141-W492 HydrophobicContact CE-CB 4.12Å; I249-W492 VanDerWaalsContact CD1-CD1 3.41Å; I249-W492 HydrophobicContact CD1-CG 3.99Å; E251-W492 PolarHBondContact OE1-NE1 2.96Å; Y433-W492 HydrophobicContact CD1-CH2 4.18Å; Y433-W492 AromaticContact CE1-CH2 3.88Å; Y433-W492 HydrophobicContact CE1-CH2 3.88Å; Y433-W492 AromaticContact CE1-CZ2 3.83Å; Y433-W492 HydrophobicContact CE1-CZ2 3.83Å; V461-W492 VanDerWaalsContact CG1-CD1 3.5Å; V461-W492 HydrophobicContact CG1-CD2 4.34Å; V461-W492 HydrophobicContact CG1-CG 4.02Å; V461-W492 HydrophobicContact CG2-CD2 4.17Å; V461-W492 HydrophobicContact CG2-CH2 4.18Å; V461-W492 HydrophobicContact CG2-CZ2 3.61Å; M488-W492 HydrophobicContact CB-CE3 4.37Å; M488-W492 HydrophobicContact CB-CZ3 4.17Å; M488-W492 HydrophobicContact CE-CH2 3.87Å; M488-W492 HydrophobicContact CE-CZ3 4.2Å; M488-W492 HydrophobicContact CG-CZ3 4.28Å; M488-W492 PolarHBondContact O-N 2.91Å; M489-W492 PolarHBondContact O-N 2.83Å; W492-F495 PolarHBondContact O-N 3.1Å; W492-A496 WeakPolarHBondContact O-CB 3.34Å; W492-A496 PolarHBondContact O-N 2.79Å; W492-W509 HydrophobicContact CH2-CH2 4.43Å; W492-W509 HydrophobicContact CZ3-CH2 4.23Å; W492-W509 HydrophobicContact CZ3-CZ3 4.05Å; W492-L521 HydrophobicContact CH2-CD1 3.84Å; W492-L521 HydrophobicContact CZ3-CD1 4.06Å
493	A	98.8	Very high	98.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-73.1	-37.6	179	0	0	0	0	0	113.5	E166 V168 M489 K490 Y491 F495 A496 R497	E166-A493 HydrophobicContact CB-CB 3.4Å; E166-A493 VanDerWaalsContact CB-CB 3.4Å; E166-A493 HydrophobicContact CG-CB 3.65Å; V168-A493 HydrophobicContact CG1-CB 4.18Å; M489-A493 WeakPolarHBondContact O-CB 3.45Å; M489-A493 PolarHBondContact O-N 2.86Å; K490-A493 PolarHBondContact O-N 3.24Å; Y491-A493 PolarHBondContact O-N 3.39Å; A493-F495 VanDerWaalsContact C-N 3.27Å; A493-F495 PolarHBondContact O-N 2.88Å; A493-A496 PolarHBondContact O-N 3.22Å; A493-A496 VanDerWaalsContact O-N 3.16Å; A493-R497 VanDerWaalsContact C-NH1 3.29Å; A493-R497 VanDerWaalsContact O-CG 3.32Å; A493-R497 WeakPolarHBondContact O-CG 3.43Å; A493-R497 PolarHBondContact O-N 3.41Å; A493-R497 PolarHBondContact O-NH1 3.34Å
494	N	98.8	Very high	98	Very high	17 Å²	17	32.9 Å²	32.9	9%	0.091	17%	0.171	C	C	.	.	H	α-helix	trans	-59.7	-43.2	172.8	-75.9	-13	0	0	0	110.8	K490 Y491 R497 S498 N500 P501 N502	K490-N494 VanDerWaalsContact O-CB 3.28Å; K490-N494 WeakPolarHBondContact O-CB 3.46Å; K490-N494 PolarHBondContact O-N 3.47Å; K490-N494 PolarHBondContact O-ND2 3.16Å; Y491-N494 PolarHBondContact O-N 2.97Å; N494-R497 PolarHBondContact O-N 2.78Å; N494-R497 PolarHBondContact OD1-NH1 3.08Å; N494-S498 PolarHBondContact O-N 3.2Å; N494-S498 PolarHBondContact O-OG 3.24Å; N494-N500 CarbonylContact C-O 3.56Å; N494-N500 VanDerWaalsContact O-O 3.13Å; N494-P501 WeakPolarHBondContact CB-O 3.33Å; N494-P501 PolarHBondContact ND2-O 3.13Å; N494-N502 PolarHBondContact ND2-O 2.94Å
495	F	98.9	Very high	97.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.5	-45.5	173.5	-177	-102.3	0	0	0	110.8	T221 R247 A248 I249 P336 I338 Y431 Y491 W492 A493 R497 S498 G499 N500 P501	T221-F495 HydrophobicContact CG2-CD1 4.3Å; T221-F495 HydrophobicContact CG2-CE1 4.3Å; R247-F495 HydrophobicContact CB-CD1 4.46Å; R247-F495 HydrophobicContact CB-CE1 3.76Å; R247-F495 HydrophobicContact CB-CZ 4.14Å; R247-F495 WeakPolarHBondContact CD-O 3.42Å; R247-F495 PolarHBondContact NE-O 2.91Å; A248-F495 WeakPolarHBondContact O-CE1 3.44Å; I249-F495 HydrophobicContact CD1-CD1 3.8Å; I249-F495 HydrophobicContact CD1-CE1 4.24Å; I249-F495 HydrophobicContact CG1-CD1 3.73Å; I249-F495 HydrophobicContact CG1-CE1 3.64Å; P336-F495 VanDerWaalsContact C-CZ 3.48Å; P336-F495 HydrophobicContact CB-CE2 4.03Å; P336-F495 HydrophobicContact CB-CZ 4.06Å; P336-F495 WeakPolarHBondContact O-CZ 3.26Å; I338-F495 HydrophobicContact CD1-CB 3.67Å; I338-F495 HydrophobicContact CD1-CD1 3.67Å; I338-F495 HydrophobicContact CD1-CD2 3.76Å; I338-F495 HydrophobicContact CD1-CE1 4.17Å; I338-F495 HydrophobicContact CD1-CE2 4.28Å; I338-F495 HydrophobicContact CD1-CG 3.41Å; I338-F495 VanDerWaalsContact CD1-CG 3.41Å; I338-F495 HydrophobicContact CD1-CZ 4.44Å; I338-F495 HydrophobicContact CG1-CD1 4.07Å; I338-F495 HydrophobicContact CG1-CD2 3.82Å; I338-F495 HydrophobicContact CG1-CE1 4.07Å; I338-F495 HydrophobicContact CG1-CE2 3.84Å; I338-F495 HydrophobicContact CG1-CG 3.92Å; I338-F495 HydrophobicContact CG1-CZ 3.94Å; Y431-F495 HydrophobicContact CD2-CD2 4.36Å; Y431-F495 HydrophobicContact CD2-CE2 4.09Å; Y431-F495 HydrophobicContact CE2-CE2 4.38Å; Y491-F495 WeakPolarHBondContact O-CB 3.16Å; Y491-F495 PolarHBondContact O-N 3.27Å; W492-F495 PolarHBondContact O-N 3.1Å; A493-F495 VanDerWaalsContact C-N 3.27Å; A493-F495 PolarHBondContact O-N 2.88Å; F495-R497 VanDerWaalsContact C-N 3.28Å; F495-R497 PolarHBondContact O-N 3.49Å; F495-S498 PolarHBondContact O-N 2.8Å; F495-G499 VanDerWaalsContact CD2-C 3.45Å; F495-G499 WeakPolarHBondContact CD2-O 3.42Å; F495-G499 WeakPolarHBondContact CE2-O 3.32Å; F495-G499 WeakPolarHBondContact O-CA 3.34Å; F495-G499 PolarHBondContact O-N 3.36Å; F495-N500 PolarHBondContact N-O 3.17Å; F495-P501 HydrophobicContact CB-CB 4.22Å
496	A	98.9	Very high	97.4	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.1	-34.2	177	0	0	0	0	0	113.9	P139 M141 S219 T221 R247 W492 A493	P139-A496 HydrophobicContact CB-CB 4.41Å; M141-A496 HydrophobicContact CE-CB 4.48Å; M141-A496 HydrophobicContact CG-CB 3.59Å; M141-A496 HydrophobicContact SD-CB 3.7Å; S219-A496 PolarHBondContact OG-O 3.41Å; T221-A496 VanDerWaalsContact OG1-CA 3.25Å; T221-A496 WeakPolarHBondContact OG1-CA 3.3Å; T221-A496 WeakPolarHBondContact OG1-CB 3.5Å; R247-A496 PolarHBondContact NH1-O 2.86Å; W492-A496 WeakPolarHBondContact O-CB 3.34Å; W492-A496 PolarHBondContact O-N 2.79Å; A493-A496 PolarHBondContact O-N 3.22Å; A493-A496 VanDerWaalsContact O-N 3.16Å
497	R	98.5	Very high	97.3	Very high	79 Å²	79	43.7 Å²	43.7	30%	0.298	22%	0.221	S	C	.	.	H	α-helix	trans	-70.4	-45.1	176	-71.4	171.3	-158.4	113.7	-3.1	112.6	P139 E166 R247 A493 N494 F495	P139-R497 HydrophobicContact CB-CG 4.41Å; P139-R497 HydrophobicContact CG-CB 4.25Å; P139-R497 HydrophobicContact CG-CG 3.45Å; P139-R497 VanDerWaalsContact CG-CG 3.45Å; E166-R497 PolarHBondContact O-NH2 3.35Å; E166-R497 IonicContact OE2-CZ 4Å; E166-R497 IonicContact OE2-NH1 3.29Å; E166-R497 IonicContact OE2-NH2 3.7Å; E166-R497 PolarHBondContact OE2-NH2 3.37Å; R247-R497 PolarHBondContact NH2-O 2.77Å; A493-R497 VanDerWaalsContact C-NH1 3.29Å; A493-R497 VanDerWaalsContact O-CG 3.32Å; A493-R497 WeakPolarHBondContact O-CG 3.43Å; A493-R497 PolarHBondContact O-N 3.41Å; A493-R497 PolarHBondContact O-NH1 3.34Å; N494-R497 PolarHBondContact O-N 2.78Å; N494-R497 PolarHBondContact OD1-NH1 3.08Å; F495-R497 VanDerWaalsContact C-N 3.28Å; F495-R497 PolarHBondContact O-N 3.49Å
498	S	97.9	Very high	97.3	Very high	73 Å²	73	46.6 Å²	46.6	51%	0.51	24%	0.239	S	C	.	.	H	α-helix	trans	-128.1	-17.4	-160.7	71	0	0	0	0	115.3	N494 F495 N500	N494-S498 PolarHBondContact O-N 3.2Å; N494-S498 PolarHBondContact O-OG 3.24Å; F495-S498 PolarHBondContact O-N 2.8Å; S498-N500 VanDerWaalsContact C-N 3.27Å; S498-N500 PolarHBondContact OG-N 3.23Å; S498-N500 VanDerWaalsContact OG-N 3.1Å; S498-N500 PolarHBondContact OG-O 2.8Å
499	G	98.4	Very high	97.3	Very high	6 Å²	6	46.6 Å²	46.6	6%	0.062	24%	0.239	C	C	.	.	S	Bend	trans	81.9	6.7	-168.5	0	0	0	0	0	113.2	Y431 F495	Y431-G499 WeakPolarHBondContact CE2-O 3.48Å; F495-G499 VanDerWaalsContact CD2-C 3.45Å; F495-G499 WeakPolarHBondContact CD2-O 3.42Å; F495-G499 WeakPolarHBondContact CE2-O 3.32Å; F495-G499 WeakPolarHBondContact O-CA 3.34Å; F495-G499 PolarHBondContact O-N 3.36Å
500	N	98.6	Very high	97.2	Very high	62 Å²	62	47 Å²	47	33%	0.332	24%	0.241	S	C	.	.			trans	-128.2	123.2	175.9	-176.4	-18.7	0	0	0	108.8	Y431 N494 F495 S498 N502	Y431-N500 PolarHBondContact OH-OD1 3.23Å; N494-N500 CarbonylContact C-O 3.56Å; N494-N500 VanDerWaalsContact O-O 3.13Å; F495-N500 PolarHBondContact N-O 3.17Å; S498-N500 VanDerWaalsContact C-N 3.27Å; S498-N500 PolarHBondContact OG-N 3.23Å; S498-N500 VanDerWaalsContact OG-N 3.1Å; S498-N500 PolarHBondContact OG-O 2.8Å; N500-N502 PolarHBondContact O-N 3.47Å; N500-N502 VanDerWaalsContact OD1-CB 3.26Å; N500-N502 WeakPolarHBondContact OD1-CB 3.07Å; N500-N502 PolarHBondContact OD1-N 2.84Å; N500-N502 PolarHBondContact OD1-ND2 2.99Å
501	P	98.6	Very high	97.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.244	C	C	.	.			trans	-72.9	-17.1	-177.6	31.6	-35.9	0	0	0	113	I338 Y431 Y491 N494 F495 W509	I338-P501 HydrophobicContact CD1-CB 4.37Å; Y431-P501 HydrophobicContact CD1-CG 3.62Å; Y431-P501 HydrophobicContact CD2-CG 4.25Å; Y431-P501 VanDerWaalsContact CE1-CD 3.45Å; Y431-P501 HydrophobicContact CE1-CG 3.8Å; Y431-P501 VanDerWaalsContact CE2-CD 3.48Å; Y431-P501 HydrophobicContact CE2-CG 4.41Å; Y431-P501 HydrophobicContact CG-CG 3.86Å; Y491-P501 HydrophobicContact CD1-CB 3.95Å; Y491-P501 VanDerWaalsContact CD1-O 3.31Å; Y491-P501 WeakPolarHBondContact CD1-O 3.38Å; Y491-P501 WeakPolarHBondContact O-CA 3.48Å; N494-P501 WeakPolarHBondContact CB-O 3.33Å; N494-P501 PolarHBondContact ND2-O 3.13Å; F495-P501 HydrophobicContact CB-CB 4.22Å; P501-W509 HydrophobicContact CB-CD2 4.28Å; P501-W509 HydrophobicContact CB-CE3 3.72Å; P501-W509 HydrophobicContact CB-CZ3 4.22Å; P501-W509 HydrophobicContact CG-CB 3.93Å; P501-W509 HydrophobicContact CG-CD2 3.82Å; P501-W509 HydrophobicContact CG-CE3 3.79Å; P501-W509 HydrophobicContact CG-CG 3.91Å
502	N	98.5	Very high	97.2	Very high	40 Å²	40	46.7 Å²	46.7	21%	0.214	25%	0.245	C	C	.	.			trans	-69.1	152	-174.2	-65.2	-71.4	0	0	0	113.2	N494 N500 W509	N494-N502 PolarHBondContact ND2-O 2.94Å; N500-N502 PolarHBondContact O-N 3.47Å; N500-N502 VanDerWaalsContact OD1-CB 3.26Å; N500-N502 WeakPolarHBondContact OD1-CB 3.07Å; N500-N502 PolarHBondContact OD1-N 2.84Å; N500-N502 PolarHBondContact OD1-ND2 2.99Å; N502-W509 PolarHBondContact ND2-O 2.85Å; N502-W509 PolarHBondContact OD1-N 3.33Å
503	G	94.5	Very high	97.2	Very high	34 Å²	34	49 Å²	49	35%	0.351	26%	0.257	S	S	.	.			trans	-176.4	-178.8	175.4	0	0	0	0	0	111.7	R505 L506	G503-R505 PolarHBondContact O-N 2.83Å; G503-L506 PolarHBondContact O-N 3.29Å
504	D	89.3	Confident	97.1	Very high	151 Å²	151	54.9 Å²	54.9	81%	0.807	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	139.1	-177.1	-66.6	-21.6	0	0	0	112.3	L506	D504-L506 PolarHBondContact O-N 2.86Å
505	R	88.6	Confident	97	Very high	249 Å²	249	57.6 Å²	57.6	94%	0.94	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	15.7	175.9	-51.1	178.7	-178	-176.7	-0.2	115.1	G503	G503-R505 PolarHBondContact O-N 2.83Å
506	L	96.3	Very high	97	Very high	27 Å²	27	58.2 Å²	58.2	14%	0.141	30%	0.302	C	S	.	.	S	Bend	trans	-102.7	142.3	168.6	-67.7	172	0	0	0	110.3	K487 K490 Y491 G503 D504	K487-L506 HydrophobicContact CB-CD2 3.91Å; K487-L506 HydrophobicContact CG-CD2 4.04Å; K490-L506 HydrophobicContact CB-CD1 4.01Å; K490-L506 HydrophobicContact CB-CD2 4.2Å; K490-L506 HydrophobicContact CG-CD1 3.55Å; K490-L506 HydrophobicContact CG-CD2 4.31Å; K490-L506 HydrophobicContact CG-CG 4.13Å; Y491-L506 HydrophobicContact CD1-CB 4.47Å; Y491-L506 HydrophobicContact CD1-CD1 3.61Å; Y491-L506 HydrophobicContact CD1-CG 4.43Å; Y491-L506 HydrophobicContact CD2-CD2 4.33Å; Y491-L506 HydrophobicContact CE1-CB 3.71Å; Y491-L506 HydrophobicContact CE1-CD1 3.71Å; Y491-L506 HydrophobicContact CE1-CD2 4.23Å; Y491-L506 HydrophobicContact CE1-CG 4.1Å; Y491-L506 HydrophobicContact CE2-CD2 4.01Å; Y491-L506 HydrophobicContact CG-CD1 4.12Å; G503-L506 PolarHBondContact O-N 3.29Å; D504-L506 PolarHBondContact O-N 2.86Å
507	P	97.1	Very high	97	Very high	51 Å²	51	62.7 Å²	62.7	33%	0.331	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-50.8	150.3	160.5	-26.2	34.4	0	0	0	111.6	Y491 W509 I525	Y491-P507 WeakPolarHBondContact OH-CB 3.37Å; Y491-P507 VanDerWaalsContact OH-CD 3.29Å; Y491-P507 WeakPolarHBondContact OH-CD 3.37Å; Y491-P507 PolarHBondContact OH-O 3.25Å; P507-W509 PolarHBondContact O-N 3.46Å; P507-I525 HydrophobicContact CB-CG2 3.99Å; P507-I525 HydrophobicContact CG-CB 4.03Å; P507-I525 HydrophobicContact CG-CD1 4.39Å; P507-I525 HydrophobicContact CG-CG2 4.02Å
508	L	97.4	Very high	97	Very high	120 Å²	120	59.8 Å²	59.8	63%	0.628	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-70	123.9	178.3	-177.1	72	0	0	0	109.7	P510	L508-P510 WeakPolarHBondContact O-CD 3.49Å
509	W	98.4	Very high	97	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.284	C	S	.	.			trans	-95.8	107.2	166.9	-165.4	-21.2	0	0	0	109.1	I338 Y431 F432 Y433 Y491 W492 P501 N502 P507 L519	I338-W509 HydrophobicContact CD1-CH2 4.26Å; I338-W509 HydrophobicContact CD1-CZ3 4.48Å; I338-W509 HydrophobicContact CG2-CH2 3.77Å; I338-W509 HydrophobicContact CG2-CZ2 3.91Å; Y431-W509 AromaticContact CD1-CD1 3.79Å; Y431-W509 HydrophobicContact CD1-CG 4.09Å; F432-W509 PolarHBondContact O-NE1 3.06Å; Y433-W509 AromaticContact CD1-CH2 3.74Å; Y433-W509 HydrophobicContact CD1-CH2 3.74Å; Y433-W509 AromaticContact CD1-CZ2 3.89Å; Y433-W509 HydrophobicContact CD1-CZ2 3.89Å; Y433-W509 HydrophobicContact CG-CH2 4.21Å; Y433-W509 HydrophobicContact CG-CZ2 4.22Å; Y491-W509 AromaticContact CD1-CE3 3.69Å; Y491-W509 HydrophobicContact CD1-CE3 3.69Å; Y491-W509 HydrophobicContact CD1-CZ3 4.33Å; Y491-W509 HydrophobicContact CD2-CE3 4.27Å; Y491-W509 HydrophobicContact CD2-CZ3 4.34Å; Y491-W509 HydrophobicContact CE1-CB 4.22Å; Y491-W509 HydrophobicContact CE1-CE3 4.1Å; Y491-W509 AromaticContact CG-CE3 3.8Å; Y491-W509 HydrophobicContact CG-CE3 3.8Å; Y491-W509 AromaticContact CG-CZ3 3.98Å; Y491-W509 HydrophobicContact CG-CZ3 3.98Å; W492-W509 HydrophobicContact CH2-CH2 4.43Å; W492-W509 HydrophobicContact CZ3-CH2 4.23Å; W492-W509 HydrophobicContact CZ3-CZ3 4.05Å; P501-W509 HydrophobicContact CB-CD2 4.28Å; P501-W509 HydrophobicContact CB-CE3 3.72Å; P501-W509 HydrophobicContact CB-CZ3 4.22Å; P501-W509 HydrophobicContact CG-CB 3.93Å; P501-W509 HydrophobicContact CG-CD2 3.82Å; P501-W509 HydrophobicContact CG-CE3 3.79Å; P501-W509 HydrophobicContact CG-CG 3.91Å; N502-W509 PolarHBondContact ND2-O 2.85Å; N502-W509 PolarHBondContact OD1-N 3.33Å; P507-W509 PolarHBondContact O-N 3.46Å; W509-L519 HydrophobicContact CB-CD2 4.21Å; W509-L519 HydrophobicContact CD2-CB 3.95Å; W509-L519 HydrophobicContact CD2-CD2 3.61Å; W509-L519 HydrophobicContact CD2-CG 4.38Å; W509-L519 HydrophobicContact CE3-CD2 3.54Å; W509-L519 HydrophobicContact CG-CB 3.98Å; W509-L519 HydrophobicContact CG-CD2 3.92Å; W509-L519 HydrophobicContact CG-CG 4.4Å; W509-L519 HydrophobicContact CZ2-CB 4.47Å; W509-L519 HydrophobicContact CZ3-CD2 4.13Å
510	P	97.8	Very high	97	Very high	9 Å²	9	57.6 Å²	57.6	6%	0.058	29%	0.289	C	S	.	.			trans	-68.5	148.8	-179.3	28.6	-34.4	0	0	0	111.5	Y431 L508 R517 M527	Y431-P510 VanDerWaalsContact CD1-O 3.28Å; Y431-P510 WeakPolarHBondContact CD1-O 3.45Å; L508-P510 WeakPolarHBondContact O-CD 3.49Å; P510-R517 HydrophobicContact CB-CB 4.02Å; P510-R517 HydrophobicContact CG-CB 3.62Å; P510-M527 HydrophobicContact CG-SD 4.21Å
511	V	98.5	Very high	97	Very high	61 Å²	61	54.7 Å²	54.7	37%	0.37	27%	0.273	S	S	.	.			trans	-62.7	136.9	163.9	179.2	0	0	0	0	107.9	V430 Y431 D513	V430-V511 CarbonylContact O-C 3.37Å; V430-V511 WeakPolarHBondContact O-CG1 3.45Å; Y431-V511 HydrophobicContact CE1-CB 4.38Å; Y431-V511 HydrophobicContact CE1-CG2 3.7Å; V511-D513 VanDerWaalsContact C-N 3.31Å; V511-D513 PolarHBondContact O-N 2.84Å
512	Y	98.6	Very high	97	Very high	1 Å²	1	57.1 Å²	57.1	0%	0.004	29%	0.286	C	S	.	.			trans	-76	83	175.9	-166.8	-97	0	0	0	109.7	A420 R421 R424 V430 F432 E516 R517	A420-Y512 HydrophobicContact CB-CD1 4.1Å; A420-Y512 HydrophobicContact CB-CE1 3.94Å; R421-Y512 HydrophobicContact CG-CE1 4.44Å; R424-Y512 VanDerWaalsContact CD-O 3.31Å; R424-Y512 WeakPolarHBondContact CD-O 3.49Å; R424-Y512 WeakPolarHBondContact CG-O 3.47Å; V430-Y512 HydrophobicContact CG1-CD1 4.5Å; V430-Y512 WeakPolarHBondContact O-CB 3.15Å; V430-Y512 PolarHBondContact O-N 3.27Å; F432-Y512 HydrophobicContact CB-CD2 3.42Å; F432-Y512 VanDerWaalsContact CB-CD2 3.42Å; F432-Y512 HydrophobicContact CB-CE2 3.86Å; F432-Y512 HydrophobicContact CB-CG 3.99Å; F432-Y512 HydrophobicContact CG-CD2 4.28Å; F432-Y512 HydrophobicContact CG-CE2 4.25Å; Y512-E516 HydrophobicContact CD2-CB 4.49Å; Y512-E516 HydrophobicContact CE1-CB 4.32Å; Y512-E516 HydrophobicContact CE1-CG 3.97Å; Y512-E516 HydrophobicContact CE2-CB 3.71Å; Y512-E516 HydrophobicContact CE2-CG 4.27Å; Y512-E516 PolarHBondContact OH-OE2 3.1Å; Y512-R517 WeakPolarHBondContact CD2-O 3.22Å
513	D	97.8	Very high	97	Very high	49 Å²	49	58.5 Å²	58.5	26%	0.262	29%	0.293	S	S	.	.			trans	-93.4	-157.6	-179.5	59	19.2	0	0	0	111.4	R424 V511 D515 E516 R517	R424-D513 WeakPolarHBondContact CD-O 3.49Å; R424-D513 PolarHBondContact NH1-O 3.39Å; V511-D513 VanDerWaalsContact C-N 3.31Å; V511-D513 PolarHBondContact O-N 2.84Å; D513-D515 PolarHBondContact O-N 3.22Å; D513-D515 WeakPolarHBondContact OD1-CA 2.99Å; D513-D515 VanDerWaalsContact OD1-CB 3.23Å; D513-D515 WeakPolarHBondContact OD1-CB 3.1Å; D513-D515 PolarHBondContact OD1-N 2.84Å; D513-E516 PolarHBondContact O-N 2.91Å; D513-E516 VanDerWaalsContact O-N 3.08Å; D513-R517 IonicContact OD2-NH2 3.04Å; D513-R517 PolarHBondContact OD2-NH2 2.88Å
514	Q	97.3	Very high	97.1	Very high	124 Å²	124	63 Å²	63	58%	0.579	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.7	177.2	-61.4	-62	-35.8	0	0	112.9	D425	D425-Q514 PolarHBondContact OD1-NE2 2.89Å
515	D	97.5	Very high	97.5	Very high	73 Å²	73	56.6 Å²	56.6	39%	0.39	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-15	171.6	-64	-33.3	0	0	0	111.4	D513 R517 Q529	D513-D515 PolarHBondContact O-N 3.22Å; D513-D515 WeakPolarHBondContact OD1-CA 2.99Å; D513-D515 VanDerWaalsContact OD1-CB 3.23Å; D513-D515 WeakPolarHBondContact OD1-CB 3.1Å; D513-D515 PolarHBondContact OD1-N 2.84Å; D515-R517 VanDerWaalsContact C-N 3.25Å; D515-R517 HydrophobicContact CB-CG 4.05Å; D515-R517 PolarHBondContact O-N 2.77Å; D515-R517 IonicContact OD2-CZ 2.7Å; D515-R517 IonicContact OD2-NE 2.93Å; D515-R517 IonicContact OD2-NH2 3.82Å; D515-Q529 WeakPolarHBondContact O-CG 3.21Å; D515-Q529 PolarHBondContact O-NE2 3.12Å
516	E	98.2	Very high	97.9	Very high	14 Å²	14	47.1 Å²	47.1	7%	0.065	25%	0.246	C	C	.	.			trans	53.5	41.8	178.6	-61.2	-168.4	166.5	0	0	112.9	R421 R424 Y512 D513 R530	R421-E516 WeakPolarHBondContact CG-OE1 3.35Å; R421-E516 IonicContact CZ-OE1 3.98Å; R421-E516 IonicContact CZ-OE2 3.68Å; R421-E516 IonicContact NE-OE1 3.46Å; R421-E516 PolarHBondContact NE-OE1 2.91Å; R421-E516 IonicContact NE-OE2 3.56Å; R421-E516 PolarHBondContact NE-OE2 3.21Å; R421-E516 IonicContact NH2-OE1 2.7Å; R421-E516 PolarHBondContact NH2-OE1 3.13Å; R421-E516 IonicContact NH2-OE2 3.78Å; R421-E516 PolarHBondContact NH2-OE2 2.81Å; R424-E516 IonicContact CZ-OE1 3.93Å; R424-E516 IonicContact NH1-OE1 2.78Å; R424-E516 PolarHBondContact NH1-OE1 2.95Å; Y512-E516 HydrophobicContact CD2-CB 4.49Å; Y512-E516 HydrophobicContact CE1-CB 4.32Å; Y512-E516 HydrophobicContact CE1-CG 3.97Å; Y512-E516 HydrophobicContact CE2-CB 3.71Å; Y512-E516 HydrophobicContact CE2-CG 4.27Å; Y512-E516 PolarHBondContact OH-OE2 3.1Å; D513-E516 PolarHBondContact O-N 2.91Å; D513-E516 VanDerWaalsContact O-N 3.08Å; E516-R530 HydrophobicContact CB-CG 4.08Å; E516-R530 PolarHBondContact O-N 3.12Å
517	R	98.6	Very high	98	Very high	93 Å²	93	51 Å²	51	35%	0.351	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	136.8	175.2	-67.8	176.1	-70.1	178.2	-4.2	110.3	P510 Y512 D513 D515 G528 Q529	P510-R517 HydrophobicContact CB-CB 4.02Å; P510-R517 HydrophobicContact CG-CB 3.62Å; Y512-R517 WeakPolarHBondContact CD2-O 3.22Å; D513-R517 IonicContact OD2-NH2 3.04Å; D513-R517 PolarHBondContact OD2-NH2 2.88Å; D515-R517 VanDerWaalsContact C-N 3.25Å; D515-R517 HydrophobicContact CB-CG 4.05Å; D515-R517 PolarHBondContact O-N 2.77Å; D515-R517 IonicContact OD2-CZ 2.7Å; D515-R517 IonicContact OD2-NE 2.93Å; D515-R517 IonicContact OD2-NH2 3.82Å; R517-G528 WeakPolarHBondContact CA-O 3Å; R517-Q529 HydrophobicContact CG-CB 4.49Å; R517-Q529 HydrophobicContact CG-CG 4.07Å
518	Y	98.7	Very high	98	Very high	18 Å²	18	49.1 Å²	49.1	7%	0.071	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	159.9	-177.5	70.2	-83.5	0	0	0	111	F432 E434 M520 M527 G528 Q529 L531	F432-Y518 HydrophobicContact CD1-CG 4.47Å; F432-Y518 WeakPolarHBondContact O-CA 3.3Å; F432-Y518 WeakPolarHBondContact O-CB 3.35Å; E434-Y518 HydrophobicContact CB-CD2 4.01Å; E434-Y518 HydrophobicContact CB-CE2 3.64Å; Y518-M520 HydrophobicContact CD2-CG 4.22Å; Y518-M520 HydrophobicContact CE2-CG 3.53Å; Y518-M520 HydrophobicContact CE2-SD 4.38Å; Y518-M527 WeakPolarHBondContact O-CA 3.33Å; Y518-G528 VanDerWaalsContact CD1-C 3.43Å; Y518-G528 VanDerWaalsContact CE1-CA 3.45Å; Y518-G528 PolarHBondContact N-O 3.25Å; Y518-G528 PolarHBondContact O-N 2.99Å; Y518-Q529 VanDerWaalsContact CE1-N 3.3Å; Y518-L531 HydrophobicContact CD1-CB 3.99Å; Y518-L531 HydrophobicContact CE1-CB 3.56Å; Y518-L531 HydrophobicContact CE1-CD1 4.36Å; Y518-L531 HydrophobicContact CE1-CG 4.45Å; Y518-L531 HydrophobicContact CE2-CB 4.48Å; Y518-L531 HydrophobicContact CE2-CD1 4.27Å; Y518-L531 HydrophobicContact CE2-CD2 4.43Å; Y518-L531 WeakPolarHBondContact OH-CD1 3.1Å
519	L	98.7	Very high	98	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	127.9	178.4	-162.8	70.1	0	0	0	110.2	F432 Y433 E434 Y491 W509 L521 I525	F432-L519 PolarHBondContact O-N 2.92Å; Y433-L519 CarbonylContact C-O 3.52Å; Y433-L519 WeakPolarHBondContact CA-O 3.31Å; Y433-L519 WeakPolarHBondContact CB-O 3.41Å; E434-L519 PolarHBondContact N-O 2.88Å; Y491-L519 HydrophobicContact CD2-CD2 4.5Å; Y491-L519 HydrophobicContact CE1-CD2 4.44Å; Y491-L519 HydrophobicContact CE2-CD2 3.88Å; W509-L519 HydrophobicContact CB-CD2 4.21Å; W509-L519 HydrophobicContact CD2-CB 3.95Å; W509-L519 HydrophobicContact CD2-CD2 3.61Å; W509-L519 HydrophobicContact CD2-CG 4.38Å; W509-L519 HydrophobicContact CE3-CD2 3.54Å; W509-L519 HydrophobicContact CG-CB 3.98Å; W509-L519 HydrophobicContact CG-CD2 3.92Å; W509-L519 HydrophobicContact CG-CG 4.4Å; W509-L519 HydrophobicContact CZ2-CB 4.47Å; W509-L519 HydrophobicContact CZ3-CD2 4.13Å; L519-L521 HydrophobicContact CD2-CD2 3.57Å; L519-L521 HydrophobicContact CD2-CG 4.25Å; L519-L521 HydrophobicContact CG-CD2 4.19Å; L519-I525 HydrophobicContact CD1-CG2 3.54Å; L519-I525 HydrophobicContact CD2-CG2 4.07Å; L519-I525 HydrophobicContact CG-CG2 3.81Å
520	M	98.7	Very high	98	Very high	33 Å²	33	55 Å²	55	16%	0.163	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	109.5	168.9	-66.9	-177.1	-68.5	0	0	108	E434 Q436 Y518 D522 I525 S526 M527	E434-M520 CarbonylContact O-C 3.53Å; E434-M520 WeakPolarHBondContact O-CA 3.3Å; Q436-M520 PolarHBondContact NE2-SD 3.34Å; Q436-M520 VanDerWaalsContact NE2-SD 3.37Å; Y518-M520 HydrophobicContact CD2-CG 4.22Å; Y518-M520 HydrophobicContact CE2-CG 3.53Å; Y518-M520 HydrophobicContact CE2-SD 4.38Å; M520-D522 PolarHBondContact O-N 2.59Å; M520-I525 WeakPolarHBondContact O-CA 3.44Å; M520-S526 WeakPolarHBondContact CE-OG 3.32Å; M520-S526 PolarHBondContact N-O 2.89Å; M520-S526 PolarHBondContact O-N 3.34Å; M520-M527 VanDerWaalsContact CE-O 3.24Å; M520-M527 WeakPolarHBondContact CE-O 3.44Å
521	L	98.7	Very high	98	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	104.8	-179.8	-69.4	173.5	0	0	0	109.5	Y433 E434 F435 Q436 M488 Y491 W492 L519 I525	Y433-L521 HydrophobicContact CD1-CD1 4.48Å; Y433-L521 HydrophobicContact CD2-CD1 3.71Å; Y433-L521 HydrophobicContact CE2-CD1 4.35Å; Y433-L521 HydrophobicContact CG-CD1 3.8Å; E434-L521 PolarHBondContact O-N 3.13Å; F435-L521 HydrophobicContact CB-CB 4.4Å; F435-L521 HydrophobicContact CD2-CB 3.78Å; Q436-L521 PolarHBondContact N-O 2.9Å; M488-L521 HydrophobicContact CE-CD1 4.16Å; M488-L521 HydrophobicContact CG-CD1 4.45Å; M488-L521 HydrophobicContact CG-CD2 4.41Å; M488-L521 HydrophobicContact SD-CD1 4.49Å; Y491-L521 HydrophobicContact CE2-CD2 4.35Å; W492-L521 HydrophobicContact CH2-CD1 3.84Å; W492-L521 HydrophobicContact CZ3-CD1 4.06Å; L519-L521 HydrophobicContact CD2-CD2 3.57Å; L519-L521 HydrophobicContact CD2-CG 4.25Å; L519-L521 HydrophobicContact CG-CD2 4.19Å; L521-I525 HydrophobicContact CD2-CD1 4.17Å; L521-I525 HydrophobicContact CD2-CG1 4.46Å
522	D	98.1	Very high	98	Very high	51 Å²	51	55.3 Å²	55.3	27%	0.273	27%	0.27	S	S	.	.	S	Bend	trans	-144.3	177	174.5	-166.2	5.7	0	0	0	108.5	Q436 H437 M520 N524 I525	Q436-D522 HydrophobicContact CB-CB 4.38Å; H437-D522 WeakPolarHBondContact CB-OD1 3.41Å; H437-D522 IonicContact CG-OD1 2.66Å; H437-D522 IonicContact ND1-OD1 3.75Å; H437-D522 PolarHBondContact ND1-OD1 2.98Å; M520-D522 PolarHBondContact O-N 2.59Å; D522-N524 PolarHBondContact O-N 2.82Å; D522-I525 VanDerWaalsContact O-CG1 3.28Å; D522-I525 WeakPolarHBondContact O-CG1 3.34Å; D522-I525 PolarHBondContact O-N 3.2Å
523	L	97.6	Very high	97.9	Very high	69 Å²	69	58 Å²	58	36%	0.361	28%	0.284	S	S	.	.	S	Bend	trans	-51.6	-39.8	173.4	-60.2	-175.2	0	0	0	111.2	E480 E481 L484	E480-L523 HydrophobicContact CB-CD1 4.12Å; E480-L523 HydrophobicContact CB-CD2 3.91Å; E481-L523 HydrophobicContact CG-CD2 4.28Å; L484-L523 HydrophobicContact CB-CD2 4.32Å; L484-L523 HydrophobicContact CD2-CD2 4.16Å
524	N	96.8	Very high	97.8	Very high	129 Å²	129	63 Å²	63	69%	0.69	30%	0.299	S	S	*	.	S	Bend	trans	-103.1	86.8	168.1	-171.3	23.5	0	0	0	111.3	D522 S526	D522-N524 PolarHBondContact O-N 2.82Å; N524-S526 PolarHBondContact O-N 3Å
525	I	98.1	Very high	97.8	Very high	17 Å²	17	58.9 Å²	58.9	9%	0.087	28%	0.278	C	S	.	.			trans	-58.9	127	178.8	-59.1	179.4	0	0	0	110.4	L484 K487 Y491 P507 L519 M520 L521 D522	L484-I525 HydrophobicContact CD1-CD1 4.28Å; L484-I525 HydrophobicContact CD1-CG1 4.37Å; K487-I525 HydrophobicContact CB-CD1 4.28Å; K487-I525 HydrophobicContact CD-CD1 3.74Å; Y491-I525 HydrophobicContact CE2-CD1 4.09Å; P507-I525 HydrophobicContact CB-CG2 3.99Å; P507-I525 HydrophobicContact CG-CB 4.03Å; P507-I525 HydrophobicContact CG-CD1 4.39Å; P507-I525 HydrophobicContact CG-CG2 4.02Å; L519-I525 HydrophobicContact CD1-CG2 3.54Å; L519-I525 HydrophobicContact CD2-CG2 4.07Å; L519-I525 HydrophobicContact CG-CG2 3.81Å; M520-I525 WeakPolarHBondContact O-CA 3.44Å; L521-I525 HydrophobicContact CD2-CD1 4.17Å; L521-I525 HydrophobicContact CD2-CG1 4.46Å; D522-I525 VanDerWaalsContact O-CG1 3.28Å; D522-I525 WeakPolarHBondContact O-CG1 3.34Å; D522-I525 PolarHBondContact O-N 3.2Å
526	S	97.4	Very high	97.8	Very high	49 Å²	49	55.4 Å²	55.4	34%	0.343	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	179	179.8	57.9	0	0	0	0	110.8	M520 N524	M520-S526 WeakPolarHBondContact CE-OG 3.32Å; M520-S526 PolarHBondContact N-O 2.89Å; M520-S526 PolarHBondContact O-N 3.34Å; N524-S526 PolarHBondContact O-N 3Å
527	M	97.8	Very high	97.8	Very high	109 Å²	109	59.9 Å²	59.9	54%	0.537	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	136.5	-179.9	-65.8	-178.5	-65.7	0	0	110.4	P510 Y518 M520	P510-M527 HydrophobicContact CG-SD 4.21Å; Y518-M527 WeakPolarHBondContact O-CA 3.33Å; M520-M527 VanDerWaalsContact CE-O 3.24Å; M520-M527 WeakPolarHBondContact CE-O 3.44Å
528	G	97.7	Very high	97.7	Very high	12 Å²	12	55.9 Å²	55.9	12%	0.124	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	173.3	168.3	0	0	0	0	0	111.5	R517 Y518	R517-G528 WeakPolarHBondContact CA-O 3Å; Y518-G528 VanDerWaalsContact CD1-C 3.43Å; Y518-G528 VanDerWaalsContact CE1-CA 3.45Å; Y518-G528 PolarHBondContact N-O 3.25Å; Y518-G528 PolarHBondContact O-N 2.99Å
529	Q	98.2	Very high	97.6	Very high	109 Å²	109	56.7 Å²	56.7	51%	0.509	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	138	177.7	-166.4	179.4	12.4	0	0	110.1	D515 R517 Y518 L531	D515-Q529 WeakPolarHBondContact O-CG 3.21Å; D515-Q529 PolarHBondContact O-NE2 3.12Å; R517-Q529 HydrophobicContact CG-CB 4.49Å; R517-Q529 HydrophobicContact CG-CG 4.07Å; Y518-Q529 VanDerWaalsContact CE1-N 3.3Å; Q529-L531 PolarHBondContact O-N 3.42Å
530	R	97.8	Very high	97.5	Very high	135 Å²	135	59.1 Å²	59.1	51%	0.509	28%	0.284	S	S	.	.	S	Bend	trans	50.8	56.7	175.5	-69.3	-179.6	-175.8	-155.7	1.2	112.8	E516 K532 D533	E516-R530 HydrophobicContact CB-CG 4.08Å; E516-R530 PolarHBondContact O-N 3.12Å; R530-K532 PolarHBondContact O-N 2.77Å; R530-K532 VanDerWaalsContact O-N 3.15Å; R530-D533 HydrophobicContact CB-CB 4.19Å; R530-D533 PolarHBondContact O-N 2.58Å
531	L	98.3	Very high	97.3	Very high	7 Å²	7	61.5 Å²	61.5	4%	0.037	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	122	179.1	-179.9	61.9	0	0	0	110.1	V341 V413 L417 F432 E434 Y518 Q529 D533	V341-L531 HydrophobicContact CG2-CD2 4.26Å; V413-L531 HydrophobicContact CG1-CD2 4.16Å; V413-L531 HydrophobicContact CG1-CG 4.45Å; L417-L531 HydrophobicContact CD1-CB 4.35Å; L417-L531 HydrophobicContact CD1-CD2 4.47Å; L417-L531 HydrophobicContact CD1-CG 4.3Å; L417-L531 WeakPolarHBondContact CD1-O 3.34Å; L417-L531 HydrophobicContact CD2-CB 4.11Å; L417-L531 HydrophobicContact CD2-CD2 4.34Å; F432-L531 HydrophobicContact CE1-CD2 3.77Å; E434-L531 HydrophobicContact CB-CD2 4.28Å; Y518-L531 HydrophobicContact CD1-CB 3.99Å; Y518-L531 HydrophobicContact CE1-CB 3.56Å; Y518-L531 HydrophobicContact CE1-CD1 4.36Å; Y518-L531 HydrophobicContact CE1-CG 4.45Å; Y518-L531 HydrophobicContact CE2-CB 4.48Å; Y518-L531 HydrophobicContact CE2-CD1 4.27Å; Y518-L531 HydrophobicContact CE2-CD2 4.43Å; Y518-L531 WeakPolarHBondContact OH-CD1 3.1Å; Q529-L531 PolarHBondContact O-N 3.42Å; L531-D533 PolarHBondContact O-N 3.3Å
532	K	97.2	Very high	97.2	Very high	69 Å²	69	64 Å²	64	30%	0.3	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	29.9	171.7	-59.3	-80.7	-171.5	137.8	0	114.8	D409 V413 L417 R530 R534 R535 V536	D409-K532 IonicContact OD1-NZ 2.78Å; D409-K532 PolarHBondContact OD1-NZ 3.37Å; D409-K532 VanDerWaalsContact OD1-NZ 3.09Å; D409-K532 IonicContact OD2-NZ 3.85Å; V413-K532 HydrophobicContact CG1-CB 4.42Å; V413-K532 HydrophobicContact CG1-CG 4.06Å; L417-K532 HydrophobicContact CD1-CB 4.36Å; R530-K532 PolarHBondContact O-N 2.77Å; R530-K532 VanDerWaalsContact O-N 3.15Å; K532-R534 VanDerWaalsContact C-N 3.32Å; K532-R534 PolarHBondContact O-N 3.13Å; K532-R534 VanDerWaalsContact O-N 3.14Å; K532-R535 HydrophobicContact CB-CB 4.2Å; K532-R535 HydrophobicContact CB-CG 4.42Å; K532-R535 HydrophobicContact CD-CG 4.28Å; K532-R535 WeakPolarHBondContact O-CA 3.27Å; K532-R535 WeakPolarHBondContact O-CB 3.45Å; K532-R535 PolarHBondContact O-N 3Å; K532-V536 PolarHBondContact O-N 3.45Å
533	D	95.9	Very high	97.1	Very high	56 Å²	56	61.8 Å²	61.8	30%	0.299	30%	0.3	S	S	.	.	H	α-helix	trans	-48.8	-47.1	-172.8	-161.2	30.8	0	0	0	113.9	R421 R530 L531 R535 V536 E537	R421-D533 IonicContact NH2-OD1 3.5Å; R421-D533 PolarHBondContact NH2-OD1 2.93Å; R530-D533 HydrophobicContact CB-CB 4.19Å; R530-D533 PolarHBondContact O-N 2.58Å; L531-D533 PolarHBondContact O-N 3.3Å; D533-R535 VanDerWaalsContact C-N 3.33Å; D533-R535 PolarHBondContact O-N 2.72Å; D533-V536 WeakPolarHBondContact O-CB 3.42Å; D533-V536 PolarHBondContact O-N 2.66Å; D533-V536 VanDerWaalsContact O-N 3.16Å; D533-E537 PolarHBondContact O-N 2.96Å
534	R	96.6	Very high	96.8	Very high	155 Å²	155	61.2 Å²	61.2	59%	0.585	30%	0.301	S	S	*	.	H	α-helix	trans	-59.7	-38.2	175.4	176.1	-179.5	164.6	167.5	3	113.3	E388 K532 F538	E388-R534 IonicContact OE1-CZ 3.92Å; E388-R534 IonicContact OE1-NE 3.09Å; E388-R534 PolarHBondContact OE1-NE 2.59Å; E388-R534 IonicContact OE1-NH2 2.76Å; E388-R534 IonicContact OE2-CZ 3.72Å; E388-R534 IonicContact OE2-NE 3.91Å; E388-R534 IonicContact OE2-NH2 3.48Å; E388-R534 PolarHBondContact OE2-NH2 2.93Å; K532-R534 VanDerWaalsContact C-N 3.32Å; K532-R534 PolarHBondContact O-N 3.13Å; K532-R534 VanDerWaalsContact O-N 3.14Å; R534-F538 WeakPolarHBondContact O-CB 3.38Å; R534-F538 PolarHBondContact O-N 3.18Å
535	R	97.1	Very high	96.7	Very high	38 Å²	38	60.5 Å²	60.5	14%	0.143	30%	0.296	C	S	.	.	H	α-helix	trans	-70.4	-38.1	178.2	-62.7	-60.1	-156.1	-157.9	6.8	110.5	E388 D409 K532 D533 F538 W539	E388-R535 PolarHBondContact O-NH1 2.96Å; E388-R535 IonicContact OE1-CZ 3.76Å; E388-R535 IonicContact OE1-NH1 2.79Å; E388-R535 PolarHBondContact OE1-NH1 3Å; D409-R535 IonicContact OD2-NE 3.55Å; K532-R535 HydrophobicContact CB-CB 4.2Å; K532-R535 HydrophobicContact CB-CG 4.42Å; K532-R535 HydrophobicContact CD-CG 4.28Å; K532-R535 WeakPolarHBondContact O-CA 3.27Å; K532-R535 WeakPolarHBondContact O-CB 3.45Å; K532-R535 PolarHBondContact O-N 3Å; D533-R535 VanDerWaalsContact C-N 3.33Å; D533-R535 PolarHBondContact O-N 2.72Å; R535-F538 PolarHBondContact O-N 2.64Å; R535-W539 PolarHBondContact O-N 3.48Å; R535-W539 VanDerWaalsContact O-N 3.09Å
536	V	97.4	Very high	96.5	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-59.5	-55.5	174.2	-176.6	0	0	0	0	109.3	V414 L417 V418 K532 D533 F538 W539 T540	V414-V536 HydrophobicContact CG1-CG1 4.45Å; V414-V536 HydrophobicContact CG2-CG2 4.27Å; L417-V536 HydrophobicContact CB-CG2 4.12Å; L417-V536 HydrophobicContact CD1-CG2 3.54Å; L417-V536 HydrophobicContact CG-CG2 4.49Å; V418-V536 HydrophobicContact CG2-CG1 4.08Å; K532-V536 PolarHBondContact O-N 3.45Å; D533-V536 WeakPolarHBondContact O-CB 3.42Å; D533-V536 PolarHBondContact O-N 2.66Å; D533-V536 VanDerWaalsContact O-N 3.16Å; V536-F538 PolarHBondContact O-N 3.29Å; V536-W539 PolarHBondContact O-N 3.31Å; V536-W539 VanDerWaalsContact O-N 3.1Å; V536-T540 HydrophobicContact CG1-CG2 3.94Å; V536-T540 WeakPolarHBondContact O-CB 3.38Å; V536-T540 WeakPolarHBondContact O-CG2 3.18Å; V536-T540 PolarHBondContact O-N 3.33Å; V536-T540 PolarHBondContact O-OG1 2.89Å
537	E	97.6	Very high	96.2	Very high	107 Å²	107	62.5 Å²	62.5	50%	0.5	30%	0.302	S	S	.	.	H	α-helix	trans	-54.3	-39.6	177.1	-177.8	-176.8	-170.2	0	0	112.7	D533 D541 T542	D533-E537 PolarHBondContact O-N 2.96Å; E537-D541 WeakPolarHBondContact O-CA 3.29Å; E537-D541 WeakPolarHBondContact O-CB 3.09Å; E537-D541 PolarHBondContact O-N 2.83Å; E537-T542 PolarHBondContact O-N 3.26Å; E537-T542 PolarHBondContact O-OG1 2.88Å
538	F	97.9	Very high	95.8	Very high	9 Å²	9	60.2 Å²	60.2	4%	0.039	30%	0.296	C	S	.	.	I	π-helix	trans	-60.4	-49.6	177.6	174	-102.8	0	0	0	112.3	V384 V385 E388 Y389 R534 R535 V536 T542 L543	V384-F538 HydrophobicContact CG1-CE2 3.91Å; V384-F538 HydrophobicContact CG1-CZ 4.22Å; V385-F538 HydrophobicContact CG2-CZ 4.33Å; E388-F538 HydrophobicContact CB-CD2 4.14Å; E388-F538 HydrophobicContact CB-CE1 4.22Å; E388-F538 HydrophobicContact CB-CE2 3.77Å; E388-F538 HydrophobicContact CB-CZ 3.81Å; E388-F538 HydrophobicContact CG-CB 4.37Å; E388-F538 HydrophobicContact CG-CD1 3.82Å; E388-F538 HydrophobicContact CG-CD2 3.67Å; E388-F538 HydrophobicContact CG-CE1 3.96Å; E388-F538 HydrophobicContact CG-CE2 3.8Å; E388-F538 HydrophobicContact CG-CG 3.66Å; E388-F538 HydrophobicContact CG-CZ 3.95Å; Y389-F538 HydrophobicContact CE2-CD1 4.5Å; Y389-F538 HydrophobicContact CE2-CE1 4.4Å; R534-F538 WeakPolarHBondContact O-CB 3.38Å; R534-F538 PolarHBondContact O-N 3.18Å; R535-F538 PolarHBondContact O-N 2.64Å; V536-F538 PolarHBondContact O-N 3.29Å; F538-T542 HydrophobicContact CD2-CG2 4.23Å; F538-T542 PolarHBondContact O-N 3Å; F538-L543 HydrophobicContact CE1-CB 4.43Å; F538-L543 HydrophobicContact CE1-CD2 4.36Å; F538-L543 HydrophobicContact CE2-CB 4.34Å; F538-L543 HydrophobicContact CZ-CB 4.15Å; F538-L543 HydrophobicContact CZ-CD1 4.49Å; F538-L543 HydrophobicContact CZ-CD2 4.39Å; F538-L543 WeakPolarHBondContact O-CB 3.14Å; F538-L543 PolarHBondContact O-N 3.28Å
539	W	96.6	Very high	95.1	Very high	36 Å²	36	62.1 Å²	62.1	14%	0.136	31%	0.311	C	S	.	.	I	π-helix	trans	-79.7	-31.9	-175.3	-73.6	113	0	0	0	113.3	L375 V385 Y389 L406 V410 V414 R535 V536 L543	L375-W539 HydrophobicContact CD1-CH2 4.03Å; V385-W539 HydrophobicContact CG1-CH2 4.08Å; V385-W539 HydrophobicContact CG1-CZ2 4.39Å; V385-W539 HydrophobicContact CG2-CH2 4.29Å; Y389-W539 HydrophobicContact CD2-CZ2 4.44Å; Y389-W539 AromaticContact CE2-CE2 3.88Å; Y389-W539 AromaticContact CE2-CZ2 3.64Å; Y389-W539 HydrophobicContact CE2-CZ2 3.64Å; Y389-W539 AromaticContact CE2-NE1 3.61Å; Y389-W539 AromaticContact CZ-NE1 3.66Å; Y389-W539 PolarHBondContact OH-NE1 3.25Å; L406-W539 HydrophobicContact CD2-CZ2 4.42Å; L406-W539 HydrophobicContact CG-CZ2 4.16Å; V410-W539 HydrophobicContact CG2-CD2 3.83Å; V410-W539 HydrophobicContact CG2-CE3 4.15Å; V410-W539 HydrophobicContact CG2-CH2 3.6Å; V410-W539 HydrophobicContact CG2-CZ2 3.21Å; V410-W539 HydrophobicContact CG2-CZ3 4.04Å; V414-W539 HydrophobicContact CG1-CB 4.05Å; R535-W539 PolarHBondContact O-N 3.48Å; R535-W539 VanDerWaalsContact O-N 3.09Å; V536-W539 PolarHBondContact O-N 3.31Å; V536-W539 VanDerWaalsContact O-N 3.1Å; W539-L543 HydrophobicContact CE3-CD2 3.71Å; W539-L543 HydrophobicContact CH2-CD2 4.35Å; W539-L543 HydrophobicContact CZ3-CD2 3.43Å; W539-L543 VanDerWaalsContact CZ3-CD2 3.43Å
540	T	95.1	Very high	94.1	Very high	52 Å²	52	58.6 Å²	58.6	32%	0.319	30%	0.299	S	S	.	.	I	π-helix	trans	-86	-32.7	-178.4	55.7	0	0	0	0	113.1	V414 V418 V536	V414-T540 HydrophobicContact CG1-CG2 4.35Å; V418-T540 HydrophobicContact CG2-CG2 3.62Å; V536-T540 HydrophobicContact CG1-CG2 3.94Å; V536-T540 WeakPolarHBondContact O-CB 3.38Å; V536-T540 WeakPolarHBondContact O-CG2 3.18Å; V536-T540 PolarHBondContact O-N 3.33Å; V536-T540 PolarHBondContact O-OG1 2.89Å
541	D	95.4	Very high	93	Very high	83 Å²	83	57.5 Å²	57.5	44%	0.444	30%	0.299	S	S	.	.	I	π-helix	trans	-124.4	-57.7	-170	-55.1	-68.3	0	0	0	112	E537 P544 L545	E537-D541 WeakPolarHBondContact O-CA 3.29Å; E537-D541 WeakPolarHBondContact O-CB 3.09Å; E537-D541 PolarHBondContact O-N 2.83Å; D541-P544 WeakPolarHBondContact O-CD 3.12Å; D541-L545 VanDerWaalsContact O-CB 3.24Å; D541-L545 WeakPolarHBondContact O-CB 3.48Å; D541-L545 WeakPolarHBondContact O-CD1 3.25Å; D541-L545 WeakPolarHBondContact O-CG 3.36Å; D541-L545 PolarHBondContact O-N 2.74Å
542	T	96.6	Very high	91.5	Very high	53 Å²	53	60.5 Å²	60.5	33%	0.325	33%	0.325	S	S	.	.	I	π-helix	trans	-63.4	-53	-168.6	-56.5	0	0	0	0	112.8	E537 F538 L545 I546	E537-T542 PolarHBondContact O-N 3.26Å; E537-T542 PolarHBondContact O-OG1 2.88Å; F538-T542 HydrophobicContact CD2-CG2 4.23Å; F538-T542 PolarHBondContact O-N 3Å; T542-L545 PolarHBondContact O-N 3.38Å; T542-I546 HydrophobicContact CG2-CD1 3.96Å; T542-I546 VanDerWaalsContact O-CG1 3.31Å; T542-I546 WeakPolarHBondContact O-CG1 3.4Å; T542-I546 PolarHBondContact O-N 3.04Å; T542-I546 VanDerWaalsContact O-N 3.11Å
543	L	95.1	Very high	89.8	Confident	4 Å²	4	64.4 Å²	64.4	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-66.5	-48	-177.4	179.3	67.4	0	0	0	111.8	I377 V384 V385 F538 W539 L545 I546 M547	I377-L543 HydrophobicContact CD1-CD2 4.01Å; V384-L543 HydrophobicContact CB-CD1 4.3Å; V384-L543 HydrophobicContact CG1-CD1 4.1Å; V385-L543 HydrophobicContact CG2-CD1 4.39Å; V385-L543 HydrophobicContact CG2-CD2 4.15Å; F538-L543 HydrophobicContact CE1-CB 4.43Å; F538-L543 HydrophobicContact CE1-CD2 4.36Å; F538-L543 HydrophobicContact CE2-CB 4.34Å; F538-L543 HydrophobicContact CZ-CB 4.15Å; F538-L543 HydrophobicContact CZ-CD1 4.49Å; F538-L543 HydrophobicContact CZ-CD2 4.39Å; F538-L543 WeakPolarHBondContact O-CB 3.14Å; F538-L543 PolarHBondContact O-N 3.28Å; W539-L543 HydrophobicContact CE3-CD2 3.71Å; W539-L543 HydrophobicContact CH2-CD2 4.35Å; W539-L543 HydrophobicContact CZ3-CD2 3.43Å; W539-L543 VanDerWaalsContact CZ3-CD2 3.43Å; L543-L545 VanDerWaalsContact C-N 3.34Å; L543-L545 PolarHBondContact O-N 3.48Å; L543-I546 PolarHBondContact O-N 2.93Å; L543-M547 HydrophobicContact CD1-CG 4.43Å; L543-M547 HydrophobicContact CD1-SD 4.26Å; L543-M547 HydrophobicContact CG-SD 4.02Å; L543-M547 WeakPolarHBondContact O-CG 3.43Å; L543-M547 PolarHBondContact O-N 2.72Å
544	P	93.2	Very high	87.9	Confident	56 Å²	56	67.7 Å²	67.7	36%	0.364	37%	0.365	S	S	.	.	H	α-helix	trans	-58	-39.3	174.4	-27.5	36.9	0	0	0	114.3	D541 M547 S548	D541-P544 WeakPolarHBondContact O-CD 3.12Å; P544-M547 PolarHBondContact O-N 3.31Å; P544-S548 WeakPolarHBondContact O-CB 3.37Å; P544-S548 PolarHBondContact O-N 3.41Å; P544-S548 PolarHBondContact O-OG 3.28Å
545	L	93.9	Very high	85.3	Confident	114 Å²	114	64.5 Å²	64.5	60%	0.597	36%	0.363	S	S	*	.	H	α-helix	trans	-64.3	-41.9	176.6	-75.8	170.3	0	0	0	112.2	D541 T542 L543 M547 S548 A549	D541-L545 VanDerWaalsContact O-CB 3.24Å; D541-L545 WeakPolarHBondContact O-CB 3.48Å; D541-L545 WeakPolarHBondContact O-CD1 3.25Å; D541-L545 WeakPolarHBondContact O-CG 3.36Å; D541-L545 PolarHBondContact O-N 2.74Å; T542-L545 PolarHBondContact O-N 3.38Å; L543-L545 VanDerWaalsContact C-N 3.34Å; L543-L545 PolarHBondContact O-N 3.48Å; L545-M547 VanDerWaalsContact C-N 3.34Å; L545-S548 WeakPolarHBondContact CA-OG 3.45Å; L545-S548 PolarHBondContact O-OG 2.85Å; L545-S548 VanDerWaalsContact O-OG 3.12Å; L545-A549 VanDerWaalsContact O-CB 3.27Å; L545-A549 WeakPolarHBondContact O-CB 3.07Å; L545-A549 PolarHBondContact O-N 2.8Å
546	I	93.4	Very high	82.7	Confident	67 Å²	67	67.8 Å²	67.8	34%	0.344	39%	0.389	S	S	.	.	H	α-helix	trans	-62.8	-43.5	175.9	-69.5	166.3	0	0	0	110.7	Y381 V384 T542 L543 S550	Y381-I546 HydrophobicContact CD1-CG2 4.17Å; Y381-I546 HydrophobicContact CE1-CG2 4.29Å; V384-I546 HydrophobicContact CG1-CD1 3.85Å; V384-I546 HydrophobicContact CG2-CG2 4.39Å; T542-I546 HydrophobicContact CG2-CD1 3.96Å; T542-I546 VanDerWaalsContact O-CG1 3.31Å; T542-I546 WeakPolarHBondContact O-CG1 3.4Å; T542-I546 PolarHBondContact O-N 3.04Å; T542-I546 VanDerWaalsContact O-N 3.11Å; L543-I546 PolarHBondContact O-N 2.93Å; I546-S550 VanDerWaalsContact O-CB 3.31Å; I546-S550 WeakPolarHBondContact O-CB 3.45Å; I546-S550 PolarHBondContact O-N 3.45Å
547	M	90.7	Very high	80.2	Confident	41 Å²	41	74 Å²	74	20%	0.202	43%	0.428	C	S	.	.	H	α-helix	trans	-64.3	-48.2	-179.5	-68.8	174.9	60.2	0	0	111.8	P378 Y381 L543 P544 L545 S550 E551	P378-M547 HydrophobicContact CG-CE 4.24Å; Y381-M547 HydrophobicContact CD1-CG 4.13Å; Y381-M547 HydrophobicContact CD2-CE 4.32Å; Y381-M547 HydrophobicContact CD2-CG 3.67Å; Y381-M547 HydrophobicContact CD2-SD 4.36Å; Y381-M547 HydrophobicContact CE1-CG 4.23Å; Y381-M547 HydrophobicContact CE2-CB 4.17Å; Y381-M547 HydrophobicContact CE2-CE 4.44Å; Y381-M547 HydrophobicContact CE2-CG 3.76Å; Y381-M547 HydrophobicContact CG-CG 3.86Å; Y381-M547 PolarHBondContact OH-O 2.93Å; L543-M547 HydrophobicContact CD1-CG 4.43Å; L543-M547 HydrophobicContact CD1-SD 4.26Å; L543-M547 HydrophobicContact CG-SD 4.02Å; L543-M547 WeakPolarHBondContact O-CG 3.43Å; L543-M547 PolarHBondContact O-N 2.72Å; P544-M547 PolarHBondContact O-N 3.31Å; L545-M547 VanDerWaalsContact C-N 3.34Å; M547-S550 PolarHBondContact O-N 2.73Å; M547-E551 WeakPolarHBondContact O-CG 3.18Å; M547-E551 PolarHBondContact O-N 3.39Å
548	S	89	Confident	77.4	Confident	61 Å²	61	73.7 Å²	73.7	43%	0.427	44%	0.437	S	S	.	.	H	α-helix	trans	-67.9	-40.8	-179.3	55.4	0	0	0	0	113.6	P544 L545 S550 E551 A552	P544-S548 WeakPolarHBondContact O-CB 3.37Å; P544-S548 PolarHBondContact O-N 3.41Å; P544-S548 PolarHBondContact O-OG 3.28Å; L545-S548 WeakPolarHBondContact CA-OG 3.45Å; L545-S548 PolarHBondContact O-OG 2.85Å; L545-S548 VanDerWaalsContact O-OG 3.12Å; S548-S550 VanDerWaalsContact C-N 3.3Å; S548-S550 PolarHBondContact O-N 2.84Å; S548-E551 PolarHBondContact O-N 2.76Å; S548-A552 PolarHBondContact O-N 3.18Å
549	A	84.9	Confident	74.4	Confident	52 Å²	52	78.2 Å²	78.2	43%	0.43	47%	0.47	S	S	.	.	H	α-helix	trans	-63.6	-37.7	177	0	0	0	0	0	112.1	L545 L553	L545-A549 VanDerWaalsContact O-CB 3.27Å; L545-A549 WeakPolarHBondContact O-CB 3.07Å; L545-A549 PolarHBondContact O-N 2.8Å; A549-L553 WeakPolarHBondContact O-CD1 3.29Å; A549-L553 WeakPolarHBondContact O-CG 3.4Å; A549-L553 PolarHBondContact O-N 2.85Å
550	S	76.7	Confident	71.5	Confident	36 Å²	36	83.9 Å²	83.9	25%	0.252	50%	0.502	S	S	.	.	H	α-helix	trans	-70.3	-39.5	177.3	174	0	0	0	0	112.1	Y381 I546 M547 S548 L553 L554	Y381-S550 WeakPolarHBondContact OH-CB 3.4Å; Y381-S550 PolarHBondContact OH-OG 2.8Å; I546-S550 VanDerWaalsContact O-CB 3.31Å; I546-S550 WeakPolarHBondContact O-CB 3.45Å; I546-S550 PolarHBondContact O-N 3.45Å; M547-S550 PolarHBondContact O-N 2.73Å; S548-S550 VanDerWaalsContact C-N 3.3Å; S548-S550 PolarHBondContact O-N 2.84Å; S550-L553 PolarHBondContact O-N 3.31Å; S550-L554 WeakPolarHBondContact O-CG 3.19Å; S550-L554 PolarHBondContact O-N 3.48Å; S550-L554 VanDerWaalsContact O-N 3.17Å
551	E	74.5	Confident	68.6	Low	111 Å²	111	88.2 Å²	88.2	52%	0.519	52%	0.522	S	S	.	.	H	α-helix	trans	-61.8	-44.9	172.5	-76.2	175.9	-171.5	0	0	112.3	M547 S548 L553 L554 T555	M547-E551 WeakPolarHBondContact O-CG 3.18Å; M547-E551 PolarHBondContact O-N 3.39Å; S548-E551 PolarHBondContact O-N 2.76Å; E551-L553 PolarHBondContact O-N 2.93Å; E551-L554 PolarHBondContact O-N 2.88Å; E551-T555 PolarHBondContact O-N 3.47Å; E551-T555 PolarHBondContact O-OG1 3.16Å
552	A	67.4	Low	65.7	Low	70 Å²	70	91.7 Å²	91.7	58%	0.579	54%	0.539	S	S	*	.	H	α-helix	trans	-61.2	-31.3	177.3	0	0	0	0	0	113.1	S548 T555	S548-A552 PolarHBondContact O-N 3.18Å; A552-T555 PolarHBondContact O-OG1 3.38Å
553	L	61.3	Low	62.5	Low	152 Å²	152	98.8 Å²	98.8	80%	0.796	57%	0.566	S	S	*	*	H	α-helix	trans	-77	-23.8	175.2	-74	162.7	0	0	0	113.2	A549 S550 E551	A549-L553 WeakPolarHBondContact O-CD1 3.29Å; A549-L553 WeakPolarHBondContact O-CG 3.4Å; A549-L553 PolarHBondContact O-N 2.85Å; S550-L553 PolarHBondContact O-N 3.31Å; E551-L553 PolarHBondContact O-N 2.93Å
554	L	54.6	Low	59.4	Low	125 Å²	125	103.7 Å²	103.7	65%	0.654	60%	0.601	S	S	*	*	H	α-helix	trans	-95.1	-18	-178.1	-70.9	167.3	0	0	0	113.3	S550 E551	S550-L554 WeakPolarHBondContact O-CG 3.19Å; S550-L554 PolarHBondContact O-N 3.48Å; S550-L554 VanDerWaalsContact O-N 3.17Å; E551-L554 PolarHBondContact O-N 2.88Å
555	T	42.1	Very low	56.5	Low	88 Å²	88	108.4 Å²	108.4	54%	0.54	62%	0.622	S	S	.	*	S	Bend	trans	-74.9	125	171.6	50.7	0	0	0	0	110.9	E551 A552 T557	E551-T555 PolarHBondContact O-N 3.47Å; E551-T555 PolarHBondContact O-OG1 3.16Å; A552-T555 PolarHBondContact O-OG1 3.38Å; T555-T557 PolarHBondContact O-N 3.34Å
556	P	44.2	Very low	53.6	Low	106 Å²	106	108.9 Å²	108.9	69%	0.688	63%	0.632	S	S	*	*			trans	-63.4	131.8	174.2	25.1	-30.4	0	0	0	109.1	S558	P556-S558 VanDerWaalsContact C-N 3.27Å; P556-S558 PolarHBondContact O-N 3.47Å
557	T	43.3	Very low	50.6	Low	131 Å²	131	113 Å²	113	80%	0.804	65%	0.654	S	S	*	*			trans	-59.6	86	176.6	51.2	0	0	0	0	110.6	T555 S559	T555-T557 PolarHBondContact O-N 3.34Å; T557-S559 PolarHBondContact O-N 3.28Å
558	S	39.4	Very low	48	Very low	101 Å²	101	116.1 Å²	116.1	71%	0.706	68%	0.677	S	S	*	*			trans	-91.1	96.6	167.2	-60.3	0	0	0	0	107	P556	P556-S558 VanDerWaalsContact C-N 3.27Å; P556-S558 PolarHBondContact O-N 3.47Å
559	S	35.9	Very low	45.2	Very low	103 Å²	103	122.1 Å²	122.1	72%	0.72	70%	0.696	S	S	*	*			trans	59.6	89.3	168.9	35.4	0	0	0	0	116.4	T557 I561	T557-S559 PolarHBondContact O-N 3.28Å; S559-I561 VanDerWaalsContact C-N 3.34Å; S559-I561 PolarHBondContact O-N 3.31Å
560	L	34.4	Very low	42.6	Very low	156 Å²	156	127.5 Å²	127.5	82%	0.817	72%	0.717	S	S	*	*			trans	-50.2	98.4	145.7	-79.1	154.8	0	0	0	109.2
561	I	35.3	Very low	40.4	Very low	142 Å²	142	134.7 Å²	134.7	73%	0.728	74%	0.744	S	S	*	*			trans	-83.9	107.7	150	-63.5	178.4	0	0	0	104.7	S559 F563	S559-I561 VanDerWaalsContact C-N 3.34Å; S559-I561 PolarHBondContact O-N 3.31Å; I561-F563 PolarHBondContact O-N 3.29Å
562	L	33.5	Very low	38.2	Very low	156 Å²	156	134.5 Å²	134.5	82%	0.817	76%	0.755	S	S	*	*			trans	-49.9	109.2	171.6	-84	120.6	0	0	0	109.8	S564	L562-S564 PolarHBondContact O-N 3.02Å
563	F	29.8	Very low	36.4	Very low	202 Å²	202	137.6 Å²	137.6	89%	0.886	77%	0.766	S	S	*	*			trans	-70.2	110.1	156.3	-88.1	-82.8	0	0	0	107.6	I561 L565	I561-F563 PolarHBondContact O-N 3.29Å; F563-L565 PolarHBondContact O-N 3.25Å
564	S	30	Very low	34.8	Very low	107 Å²	107	134.9 Å²	134.9	75%	0.748	77%	0.766	S	S	*	*			trans	-57.3	119.1	169.6	47.6	0	0	0	0	110.6	L562	L562-S564 PolarHBondContact O-N 3.02Å
565	L	31.3	Very low	33.6	Very low	156 Å²	156	140.9 Å²	140.9	82%	0.817	80%	0.797	S	S	*	*			trans	-58.7	134.6	162.8	-75.5	153.2	0	0	0	110	F563 L567	F563-L565 PolarHBondContact O-N 3.25Å; L565-L567 PolarHBondContact O-N 3.44Å
566	P	33.8	Very low	33.2	Very low	123 Å²	123	143.6 Å²	143.6	80%	0.799	81%	0.81	S	S	*	*			trans	-80.2	112.3	163.5	31.3	-25.8	0	0	0	108.3
567	L	31.1	Very low	32.6	Very low	153 Å²	153	145.5 Å²	145.5	80%	0.801	82%	0.816	S	S	*	*			trans	-68.8	149.2	163.3	-111.6	97.6	0	0	0	109.9	L565	L565-L567 PolarHBondContact O-N 3.44Å
568	P	35	Very low	32.1	Very low	107 Å²	107	146.3 Å²	146.3	70%	0.695	82%	0.817	S	S	*	*			trans	-75.8	137.1	-178.6	30.6	-31.9	0	0	0	111.7	L570	P568-L570 PolarHBondContact O-N 3.26Å
569	F	29.8	Very low	31.6	Very low	187 Å²	187	149 Å²	149	82%	0.82	82%	0.824	S	S	*	*			trans	-59.5	116	169.2	-92.4	-104	0	0	0	110.6	F571	F569-F571 AromaticContact CD1-CD2 3.82Å; F569-F571 HydrophobicContact CD1-CD2 3.82Å; F569-F571 AromaticContact CD1-CE2 3.88Å; F569-F571 HydrophobicContact CD1-CE2 3.88Å; F569-F571 HydrophobicContact CE1-CD2 4.26Å; F569-F571 AromaticContact CE1-CE2 3.88Å; F569-F571 HydrophobicContact CE1-CE2 3.88Å
570	L	31.1	Very low	31.4	Very low	166 Å²	166	151.9 Å²	151.9	87%	0.869	83%	0.83	S	S	*	*			trans	-115.6	107.9	158.2	-81.6	165.8	0	0	0	107.4	P568	P568-L570 PolarHBondContact O-N 3.26Å
571	F	30.3	Very low	31.2	Very low	186 Å²	186	151.6 Å²	151.6	82%	0.816	83%	0.831	S	S	*	*			trans	-110.8	120.8	163.2	-93.8	-86.8	0	0	0	108.8	F569	F569-F571 AromaticContact CD1-CD2 3.82Å; F569-F571 HydrophobicContact CD1-CD2 3.82Å; F569-F571 AromaticContact CD1-CE2 3.88Å; F569-F571 HydrophobicContact CD1-CE2 3.88Å; F569-F571 HydrophobicContact CE1-CD2 4.26Å; F569-F571 AromaticContact CE1-CE2 3.88Å; F569-F571 HydrophobicContact CE1-CE2 3.88Å
572	S	27.8	Very low	30.9	Very low	108 Å²	108	152.3 Å²	152.3	76%	0.755	84%	0.838	S	S	*	*			trans	-141	106.8	155.5	174	0	0	0	0	109.4
573	V	31.3	Very low	30.7	Very low	135 Å²	135	152 Å²	152	82%	0.818	84%	0.84	S	S	*	*			trans	51.9	120.5	134.4	-168.9	0	0	0	0	119.5
574	A	27.5	Very low	30.7	Very low	94 Å²	94	147.8 Å²	147.8	78%	0.777	84%	0.836	S	S	*	*				-179.4	110.8	114.5	0	0	0	0	0	112.6
575	L	29.7	Very low	30.8	Very low	252 Å²	252	151.5 Å²	151.5	100%	1.319	84%	0.844	S	S	*	*				-150	0	123.1	-107.1	165.2	0	0	0	108.4

Retrieved 575 of 575 residues in 444.9 ms (Link to these results)

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