A0A3Q0KJV5_SCHMA Loading...

Putative trna delta(2)-isopentenylpyrophosphate transferase

AlphaFold DB (A0A5K4EJ27), UniProt , Accession A0A3Q0KJV5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 522 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	37.5	Very low	40.5	Very low	231 Å²	231	146.5 Å²	146.5	100%	1.138	78%	0.777	S	S	*	*				0	64.6	0	-156.5	177.2	-156.9	0	0	108.1
2	F	32	Very low	41.3	Very low	188 Å²	188	150.4 Å²	150.4	83%	0.825	77%	0.773	S	S	*	*			trans	-158.4	133.1	-170.3	-92.9	-68.8	0	0	0	111.5
3	F	37.6	Very low	42.2	Very low	187 Å²	187	148.3 Å²	148.3	82%	0.82	76%	0.763	S	S	*	*			trans	72.9	104.3	162.5	-78.9	-88.4	0	0	0	119.8
4	V	34.1	Very low	43.1	Very low	133 Å²	133	147.1 Å²	147.1	81%	0.806	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-76.4	128.1	159.1	-179.7	0	0	0	0	108.5
5	P	41.4	Very low	43.6	Very low	99 Å²	99	143.9 Å²	143.9	64%	0.643	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-98.3	126.6	166.8	28.2	-16.3	0	0	0	111.4	F7	P5-F7 PolarHBondContact O-N 3.25Å
6	N	35.3	Very low	44.1	Very low	163 Å²	163	142.1 Å²	142.1	87%	0.872	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-57.4	117.1	166	-77.7	-40.3	0	0	0	110.7	A8	N6-A8 PolarHBondContact O-N 3.36Å
7	F	41	Very low	44.5	Very low	183 Å²	183	140.4 Å²	140.4	80%	0.803	71%	0.714	S	S	*	*			trans	-88.1	96.2	165.3	-92.5	-88.3	0	0	0	109.7	P5 F9	P5-F7 PolarHBondContact O-N 3.25Å; F7-F9 PolarHBondContact O-N 3.31Å; F7-F9 VanDerWaalsContact O-N 3.15Å
8	A	40.8	Very low	44.8	Very low	96 Å²	96	138.1 Å²	138.1	79%	0.793	70%	0.702	S	S	*	*			trans	-68.3	102.6	161.4	0	0	0	0	0	108.4	N6 S10	N6-A8 PolarHBondContact O-N 3.36Å; A8-S10 PolarHBondContact O-N 3.32Å
9	F	44.2	Very low	44.9	Very low	180 Å²	180	136.1 Å²	136.1	79%	0.789	69%	0.693	S	S	*	*			trans	-65.8	104.1	173.1	-113.3	-96.5	0	0	0	109	F7 S11	F7-F9 PolarHBondContact O-N 3.31Å; F7-F9 VanDerWaalsContact O-N 3.15Å; F9-S11 PolarHBondContact O-N 3.46Å
10	S	49.2	Very low	44.7	Very low	63 Å²	63	130.6 Å²	130.6	44%	0.441	67%	0.671	S	S	.	*			trans	-61.4	116.2	174.9	174.5	0	0	0	0	109.8	A8 R12 L13 F14	A8-S10 PolarHBondContact O-N 3.32Å; S10-R12 PolarHBondContact O-N 3.41Å; S10-R12 PolarHBondContact OG-N 3.15Å; S10-L13 PolarHBondContact O-N 3.19Å; S10-F14 PolarHBondContact O-N 3.15Å
11	S	52.7	Low	44.3	Very low	89 Å²	89	128.7 Å²	128.7	62%	0.622	66%	0.659	S	S	*	*	H	α-helix	trans	-53.1	-24	172.9	54.6	0	0	0	0	112.8	F9 L15	F9-S11 PolarHBondContact O-N 3.46Å; S11-L15 WeakPolarHBondContact O-CB 3.46Å; S11-L15 PolarHBondContact O-N 3.41Å
12	R	50.1	Low	44.3	Very low	193 Å²	193	120.8 Å²	120.8	73%	0.728	63%	0.627	S	S	*	*	H	α-helix	trans	-68.9	-34.9	172.8	-99.6	-179.8	175.1	-175.2	-1.5	113.6	S10 L16	S10-R12 PolarHBondContact O-N 3.41Å; S10-R12 PolarHBondContact OG-N 3.15Å; R12-L16 VanDerWaalsContact O-CB 3.26Å; R12-L16 WeakPolarHBondContact O-CB 3.43Å; R12-L16 WeakPolarHBondContact O-CD1 3.45Å; R12-L16 PolarHBondContact O-N 3.48Å
13	L	52.9	Low	44.2	Very low	123 Å²	123	115.9 Å²	115.9	64%	0.644	62%	0.615	S	S	*	*	H	α-helix	trans	-74.5	-35.8	177.7	-127	84.6	0	0	0	111.1	S10 L16 H17	S10-L13 PolarHBondContact O-N 3.19Å; L13-L16 PolarHBondContact O-N 2.86Å; L13-H17 VanDerWaalsContact O-CB 3.3Å; L13-H17 WeakPolarHBondContact O-CB 3.42Å; L13-H17 PolarHBondContact O-N 3.43Å
14	F	54.3	Low	44.1	Very low	132 Å²	132	116.2 Å²	116.2	58%	0.579	61%	0.612	S	S	*	*	H	α-helix	trans	-68.3	-41	172.5	-172.4	-100.4	0	0	0	111.6	S10 H17 M18	S10-F14 PolarHBondContact O-N 3.15Å; F14-H17 PolarHBondContact O-N 2.96Å; F14-M18 HydrophobicContact CD1-CG 4.14Å; F14-M18 HydrophobicContact CE1-CG 3.81Å; F14-M18 HydrophobicContact CZ-CG 4.06Å; F14-M18 VanDerWaalsContact O-CB 3.27Å; F14-M18 WeakPolarHBondContact O-CB 3.35Å; F14-M18 WeakPolarHBondContact O-CG 3.44Å; F14-M18 PolarHBondContact O-N 3.31Å
15	L	51	Low	44.2	Very low	99 Å²	99	116.8 Å²	116.8	52%	0.518	61%	0.61	S	S	.	*	H	α-helix	trans	-65.3	-37.8	170.5	-90.7	155.7	0	0	0	112.2	S11 H17 M18 L19	S11-L15 WeakPolarHBondContact O-CB 3.46Å; S11-L15 PolarHBondContact O-N 3.41Å; L15-H17 VanDerWaalsContact C-N 3.35Å; L15-M18 PolarHBondContact O-N 3.09Å; L15-L19 WeakPolarHBondContact O-CA 3.45Å; L15-L19 WeakPolarHBondContact O-CB 3.33Å; L15-L19 WeakPolarHBondContact O-CD1 3.34Å; L15-L19 WeakPolarHBondContact O-CG 3.37Å; L15-L19 PolarHBondContact O-N 3.42Å
16	L	51.9	Low	43.8	Very low	115 Å²	115	116.3 Å²	116.3	60%	0.602	61%	0.609	S	S	*	*	H	α-helix	trans	-69.9	-29.9	173.9	-92.7	151.7	0	0	0	112.7	R12 L13 G20	R12-L16 VanDerWaalsContact O-CB 3.26Å; R12-L16 WeakPolarHBondContact O-CB 3.43Å; R12-L16 WeakPolarHBondContact O-CD1 3.45Å; R12-L16 PolarHBondContact O-N 3.48Å; L13-L16 PolarHBondContact O-N 2.86Å; L16-G20 VanDerWaalsContact O-CA 3.29Å; L16-G20 WeakPolarHBondContact O-CA 3.42Å; L16-G20 PolarHBondContact O-N 2.84Å
17	H	49.9	Very low	43.9	Very low	113 Å²	113	111.7 Å²	111.7	52%	0.523	59%	0.589	S	S	.	*	H	α-helix	trans	-78.5	-36.4	173.7	-165.5	-84.9	0	0	0	111.6	L13 F14 L15 Q21	L13-H17 VanDerWaalsContact O-CB 3.3Å; L13-H17 WeakPolarHBondContact O-CB 3.42Å; L13-H17 PolarHBondContact O-N 3.43Å; F14-H17 PolarHBondContact O-N 2.96Å; L15-H17 VanDerWaalsContact C-N 3.35Å; H17-Q21 VanDerWaalsContact CE1-CD 3.46Å; H17-Q21 PolarHBondContact CE1-NE2 2.96Å; H17-Q21 WeakPolarHBondContact O-CB 3.4Å; H17-Q21 VanDerWaalsContact O-CG 3.23Å; H17-Q21 WeakPolarHBondContact O-CG 3.36Å; H17-Q21 PolarHBondContact O-N 3.16Å
18	M	50.5	Low	44.2	Very low	99 Å²	99	110.3 Å²	110.3	49%	0.488	58%	0.583	S	S	.	*	H	α-helix	trans	-72.8	-36.2	172.4	-79.5	-74.3	-72.5	0	0	112.1	F14 L15 S22	F14-M18 HydrophobicContact CD1-CG 4.14Å; F14-M18 HydrophobicContact CE1-CG 3.81Å; F14-M18 HydrophobicContact CZ-CG 4.06Å; F14-M18 VanDerWaalsContact O-CB 3.27Å; F14-M18 WeakPolarHBondContact O-CB 3.35Å; F14-M18 WeakPolarHBondContact O-CG 3.44Å; F14-M18 PolarHBondContact O-N 3.31Å; L15-M18 PolarHBondContact O-N 3.09Å; M18-S22 WeakPolarHBondContact O-CA 3.4Å; M18-S22 WeakPolarHBondContact O-CB 3.37Å; M18-S22 PolarHBondContact O-N 3.42Å
19	L	47.3	Very low	45.2	Very low	100 Å²	100	112.8 Å²	112.8	52%	0.524	57%	0.572	S	S	.	*	H	α-helix	trans	-73.1	-39.8	171.4	-71.1	165.5	0	0	0	109.6	L15 S22 C23	L15-L19 WeakPolarHBondContact O-CA 3.45Å; L15-L19 WeakPolarHBondContact O-CB 3.33Å; L15-L19 WeakPolarHBondContact O-CD1 3.34Å; L15-L19 WeakPolarHBondContact O-CG 3.37Å; L15-L19 PolarHBondContact O-N 3.42Å; L19-S22 CarbonylContact O-C 3.11Å; L19-S22 WeakPolarHBondContact O-CA 3.47Å; L19-S22 WeakPolarHBondContact O-CB 3.48Å; L19-S22 PolarHBondContact O-N 3.48Å; L19-S22 VanDerWaalsContact O-N 3.15Å; L19-C23 WeakPolarHBondContact O-CB 3.44Å; L19-C23 PolarHBondContact O-N 2.87Å; L19-C23 PolarHBondContact O-SG 3.08Å
20	G	39.8	Very low	46.9	Very low	26 Å²	26	108.9 Å²	108.9	27%	0.268	56%	0.556	S	S	.	*	H	α-helix	trans	-61.8	-42.4	172.1	0	0	0	0	0	112.3	L16 C23 Y24	L16-G20 VanDerWaalsContact O-CA 3.29Å; L16-G20 WeakPolarHBondContact O-CA 3.42Å; L16-G20 PolarHBondContact O-N 2.84Å; G20-C23 WeakPolarHBondContact O-CB 3.36Å; G20-C23 PolarHBondContact O-N 3.1Å; G20-Y24 WeakPolarHBondContact O-CD2 3.39Å; G20-Y24 PolarHBondContact O-N 3.33Å
21	Q	37.9	Very low	48.7	Very low	90 Å²	90	106.8 Å²	106.8	42%	0.421	54%	0.54	S	S	.	.	H	α-helix	trans	-73	-28.7	171.5	-75.3	-175.9	-25	0	0	112.6	H17 C23 Y24 L25	H17-Q21 VanDerWaalsContact CE1-CD 3.46Å; H17-Q21 PolarHBondContact CE1-NE2 2.96Å; H17-Q21 WeakPolarHBondContact O-CB 3.4Å; H17-Q21 VanDerWaalsContact O-CG 3.23Å; H17-Q21 WeakPolarHBondContact O-CG 3.36Å; H17-Q21 PolarHBondContact O-N 3.16Å; Q21-C23 VanDerWaalsContact C-N 3.28Å; Q21-Y24 CarbonylContact O-C 3.48Å; Q21-Y24 PolarHBondContact O-N 3.37Å; Q21-L25 WeakPolarHBondContact O-CB 3.19Å; Q21-L25 WeakPolarHBondContact O-CD1 3.2Å; Q21-L25 VanDerWaalsContact O-CG 3.26Å; Q21-L25 WeakPolarHBondContact O-CG 3.43Å; Q21-L25 PolarHBondContact O-N 3.08Å
22	S	35.9	Very low	50.7	Low	65 Å²	65	102.9 Å²	102.9	46%	0.455	51%	0.512	S	S	.	.	H	α-helix	trans	-69.3	-28.2	169.3	-171.4	0	0	0	0	111.5	M18 L19 L25 S26	M18-S22 WeakPolarHBondContact O-CA 3.4Å; M18-S22 WeakPolarHBondContact O-CB 3.37Å; M18-S22 PolarHBondContact O-N 3.42Å; L19-S22 CarbonylContact O-C 3.11Å; L19-S22 WeakPolarHBondContact O-CA 3.47Å; L19-S22 WeakPolarHBondContact O-CB 3.48Å; L19-S22 PolarHBondContact O-N 3.48Å; L19-S22 VanDerWaalsContact O-N 3.15Å; S22-L25 PolarHBondContact O-N 3.01Å; S22-S26 VanDerWaalsContact O-CB 3.23Å; S22-S26 WeakPolarHBondContact O-CB 3.44Å; S22-S26 PolarHBondContact O-N 3.45Å; S22-S26 PolarHBondContact O-OG 2.99Å
23	C	31.4	Very low	52.9	Low	85 Å²	85	93.7 Å²	93.7	57%	0.574	48%	0.478	S	S	*	.	H	α-helix	trans	-75.5	-28.6	169.5	-58	0	0	0	0	112.1	L19 G20 Q21 S26	L19-C23 WeakPolarHBondContact O-CB 3.44Å; L19-C23 PolarHBondContact O-N 2.87Å; L19-C23 PolarHBondContact O-SG 3.08Å; G20-C23 WeakPolarHBondContact O-CB 3.36Å; G20-C23 PolarHBondContact O-N 3.1Å; Q21-C23 VanDerWaalsContact C-N 3.28Å; C23-S26 VanDerWaalsContact CA-OG 3.27Å; C23-S26 WeakPolarHBondContact CA-OG 3.43Å; C23-S26 PolarHBondContact O-OG 3.14Å
24	Y	34	Very low	55	Low	194 Å²	194	87.8 Å²	87.8	76%	0.761	45%	0.447	S	S	*	.	H	α-helix	trans	-78.3	-23.7	168.5	-74.5	-71.7	0	0	0	112.8	G20 Q21	G20-Y24 WeakPolarHBondContact O-CD2 3.39Å; G20-Y24 PolarHBondContact O-N 3.33Å; Q21-Y24 CarbonylContact O-C 3.48Å; Q21-Y24 PolarHBondContact O-N 3.37Å
25	L	36.2	Very low	57.1	Low	146 Å²	146	81.5 Å²	81.5	76%	0.764	42%	0.419	S	S	*	.	S	Bend	trans	-87.3	-8.9	173.9	-74.5	159.3	0	0	0	112.7	Q21 S22	Q21-L25 WeakPolarHBondContact O-CB 3.19Å; Q21-L25 WeakPolarHBondContact O-CD1 3.2Å; Q21-L25 VanDerWaalsContact O-CG 3.26Å; Q21-L25 WeakPolarHBondContact O-CG 3.43Å; Q21-L25 PolarHBondContact O-N 3.08Å; S22-L25 PolarHBondContact O-N 3.01Å
26	S	32.7	Very low	59.4	Low	89 Å²	89	76.8 Å²	76.8	62%	0.622	40%	0.395	S	S	*	.	S	Bend	trans	-94	11.9	-176.8	64	0	0	0	0	115.7	S22 C23	S22-S26 VanDerWaalsContact O-CB 3.23Å; S22-S26 WeakPolarHBondContact O-CB 3.44Å; S22-S26 PolarHBondContact O-N 3.45Å; S22-S26 PolarHBondContact O-OG 2.99Å; C23-S26 VanDerWaalsContact CA-OG 3.27Å; C23-S26 WeakPolarHBondContact CA-OG 3.43Å; C23-S26 PolarHBondContact O-OG 3.14Å
27	S	37.6	Very low	61.5	Low	65 Å²	65	71.3 Å²	71.3	46%	0.455	37%	0.366	S	S	.	.			trans	-143.9	17.3	-179	-161.1	0	0	0	0	118.1	R29	S27-R29 PolarHBondContact O-N 3.07Å
28	F	48.1	Very low	63.7	Low	154 Å²	154	66 Å²	66	68%	0.675	34%	0.341	S	S	*	.			trans	-78.2	76.6	155.5	-82.7	-76.9	0	0	0	108.2	Q30	F28-Q30 PolarHBondContact O-N 3.42Å
29	R	62.1	Low	65.9	Low	149 Å²	149	61.3 Å²	61.3	56%	0.562	32%	0.319	S	S	*	.			trans	-56.2	114	167.8	-81	-172.8	174.3	-174.4	-3.5	106.9	S27 K426 I427	S27-R29 PolarHBondContact O-N 3.07Å; R29-K426 PolarHBondContact NH1-O 3.37Å; R29-I427 HydrophobicContact CB-CB 4.15Å; R29-I427 HydrophobicContact CB-CG1 4.09Å; R29-I427 HydrophobicContact CB-CG2 3.46Å; R29-I427 VanDerWaalsContact CB-CG2 3.46Å; R29-I427 WeakPolarHBondContact O-CG2 3.29Å
30	Q	78.6	Confident	68.2	Low	97 Å²	97	57.4 Å²	57.4	45%	0.453	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-63.3	144.8	-179.4	-66.7	174.8	-16.9	0	0	109.5	F28 N120	F28-Q30 PolarHBondContact O-N 3.42Å; Q30-N120 PolarHBondContact NE2-OD1 3.01Å
31	L	88.4	Confident	70.7	Confident	20 Å²	20	57.1 Å²	57.1	11%	0.105	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-53.7	142.8	174.7	-67.3	176.9	0	0	0	110.5	R119 K124 L125 L424 F432	L31-R119 PolarHBondContact O-NE 3.46Å; L31-R119 PolarHBondContact O-NH2 3.36Å; L31-K124 VanDerWaalsContact CD1-C 3.41Å; L31-K124 VanDerWaalsContact CD1-O 3.28Å; L31-K124 WeakPolarHBondContact CD1-O 3.27Å; L31-L125 HydrophobicContact CB-CD1 4.45Å; L31-L424 HydrophobicContact CD2-CD2 4.26Å; L31-F432 HydrophobicContact CD2-CE1 3.63Å; L31-F432 HydrophobicContact CD2-CZ 3.43Å; L31-F432 VanDerWaalsContact CD2-CZ 3.43Å
32	P	93.2	Very high	73.5	Confident	6 Å²	6	52.9 Å²	52.9	4%	0.039	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-70.8	159.3	-178.8	29.9	-32.3	0	0	0	111	I34 L125 G238 L424 I427	P32-I34 HydrophobicContact CB-CD1 4.23Å; P32-I34 HydrophobicContact CG-CD1 4.1Å; P32-L125 HydrophobicContact CG-CD1 3.91Å; P32-L125 VanDerWaalsContact O-CD1 3.25Å; P32-L125 WeakPolarHBondContact O-CD1 3.45Å; P32-G238 CarbonylContact C-O 3.57Å; P32-G238 VanDerWaalsContact CA-O 3.25Å; P32-G238 WeakPolarHBondContact CA-O 3.39Å; P32-L424 VanDerWaalsContact CD-CD2 3.43Å; P32-L424 HydrophobicContact CG-CD2 3.64Å; P32-I427 HydrophobicContact CG-CD1 4.3Å
33	V	96.3	Very high	76.3	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	115.2	170.2	-177.6	0	0	0	0	109.2	I115 P126 L128 L140 Y235 G238 S239 L240	V33-I115 HydrophobicContact CG2-CG2 3.92Å; V33-P126 HydrophobicContact CB-CG 4.4Å; V33-P126 HydrophobicContact CG1-CG 4.47Å; V33-P126 HydrophobicContact CG2-CG 3.95Å; V33-L128 HydrophobicContact CG1-CD1 3.63Å; V33-L128 HydrophobicContact CG1-CD2 4.35Å; V33-L128 HydrophobicContact CG1-CG 3.77Å; V33-L140 HydrophobicContact CG1-CD2 4.11Å; V33-Y235 HydrophobicContact CB-CD2 4.01Å; V33-Y235 HydrophobicContact CB-CE2 4.28Å; V33-Y235 HydrophobicContact CG1-CE2 4.43Å; V33-Y235 HydrophobicContact CG2-CD1 4.5Å; V33-Y235 HydrophobicContact CG2-CD2 3.64Å; V33-Y235 HydrophobicContact CG2-CE2 3.67Å; V33-Y235 HydrophobicContact CG2-CG 4.05Å; V33-G238 PolarHBondContact N-O 3.47Å; V33-S239 VanDerWaalsContact O-CA 3.24Å; V33-S239 WeakPolarHBondContact O-CA 3.48Å; V33-L240 PolarHBondContact O-N 3.44Å; V33-L240 VanDerWaalsContact O-N 3.08Å
34	I	97.8	Very high	79.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	123	-179.7	-50.5	-54.6	0	0	0	108.4	P32 L125 P126 I127 L128 L240 L242 I420	P32-I34 HydrophobicContact CB-CD1 4.23Å; P32-I34 HydrophobicContact CG-CD1 4.1Å; I34-L125 HydrophobicContact CG1-CD1 4.02Å; I34-L125 HydrophobicContact CG1-CD2 4.03Å; I34-L125 HydrophobicContact CG1-CG 4.15Å; I34-P126 PolarHBondContact N-O 3.44Å; I34-P126 VanDerWaalsContact N-O 3.13Å; I34-I127 HydrophobicContact CB-CG1 4.36Å; I34-I127 CarbonylContact O-C 3.45Å; I34-I127 WeakPolarHBondContact O-CA 3.35Å; I34-L128 PolarHBondContact O-N 3.35Å; I34-L240 HydrophobicContact CD1-CD1 4.06Å; I34-L240 HydrophobicContact CD1-CD2 3.58Å; I34-L240 HydrophobicContact CD1-CG 3.61Å; I34-L240 HydrophobicContact CG2-CD1 4.08Å; I34-L242 HydrophobicContact CG2-CD1 4.12Å; I34-L242 HydrophobicContact CG2-CG 4.4Å; I34-I420 HydrophobicContact CD1-CG1 4.15Å; I34-I420 HydrophobicContact CG1-CD1 4.34Å; I34-I420 HydrophobicContact CG1-CG1 4.46Å; I34-I420 HydrophobicContact CG2-CD1 3.98Å
35	A	98.4	Very high	82.5	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.8	175.3	0	0	0	0	0	111.4	L128 L136 L140 L240 I241 L242	A35-L128 CarbonylContact C-O 3.47Å; A35-L128 WeakPolarHBondContact CA-O 3.49Å; A35-L128 HydrophobicContact CB-CB 4.3Å; A35-L136 HydrophobicContact CB-CD1 3.74Å; A35-L136 HydrophobicContact CB-CD2 4.05Å; A35-L136 HydrophobicContact CB-CG 4.47Å; A35-L140 HydrophobicContact CB-CD1 3.92Å; A35-L240 PolarHBondContact N-O 2.88Å; A35-I241 HydrophobicContact CB-CG1 4.1Å; A35-I241 CarbonylContact O-C 3.57Å; A35-I241 WeakPolarHBondContact O-CA 3.42Å; A35-L242 PolarHBondContact O-N 3.42Å
36	I	98.5	Very high	85.4	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	110	176.7	-57.6	167.7	0	0	0	108.4	K44 L47 A48 L51 F62 I127 L128 V129 L242 L244	I36-K44 HydrophobicContact CG2-CB 3.94Å; I36-K44 HydrophobicContact CG2-CG 4.13Å; I36-L47 HydrophobicContact CD1-CB 4.44Å; I36-L47 HydrophobicContact CD1-CD2 4.34Å; I36-L47 HydrophobicContact CD1-CG 4.08Å; I36-L47 HydrophobicContact CG2-CD2 4.21Å; I36-A48 VanDerWaalsContact CD1-CA 3.46Å; I36-A48 HydrophobicContact CD1-CB 3.7Å; I36-L51 HydrophobicContact CD1-CD1 3.97Å; I36-F62 WeakPolarHBondContact O-CZ 3.33Å; I36-I127 HydrophobicContact CD1-CG2 3.55Å; I36-I127 HydrophobicContact CG1-CG2 4.24Å; I36-L128 PolarHBondContact N-O 3.4Å; I36-V129 HydrophobicContact CB-CG2 4.24Å; I36-V129 HydrophobicContact CG2-CG2 4.44Å; I36-L242 WeakPolarHBondContact CA-O 3.47Å; I36-L242 HydrophobicContact CG1-CB 4.41Å; I36-L242 HydrophobicContact CG1-CD1 4.28Å; I36-L244 HydrophobicContact CG2-CD1 4.37Å; I36-L244 HydrophobicContact CG2-CG 4.36Å
37	C	97	Very high	88.5	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	172.9	179.7	78.8	0	0	0	0	111.3	F62 L136 I241 L242 L244 I376	C37-F62 HydrophobicContact CB-CZ 4.48Å; C37-L136 HydrophobicContact CB-CD2 4.2Å; C37-I241 HydrophobicContact CB-CG2 4.33Å; C37-I241 WeakPolarHBondContact SG-CG2 3.48Å; C37-L242 PolarHBondContact N-O 2.82Å; C37-L244 PolarHBondContact O-N 2.87Å; C37-I376 HydrophobicContact CB-CD1 4.42Å
38	G	96.1	Very high	91.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.6	172.2	-173	0	0	0	0	0	111.5	H133 L244	G38-H133 PolarHBondContact O-CE1 3.19Å; G38-L244 WeakPolarHBondContact CA-O 3.41Å
39	A	95.9	Very high	93.8	Very high	2 Å²	2	23 Å²	23	2%	0.017	12%	0.118	C	C	.	.			trans	-66	161	176.4	0	0	0	0	0	111.8	T42 K44 L251 A369 V373	A39-T42 HydrophobicContact CB-CG2 3.95Å; A39-T42 PolarHBondContact O-N 2.87Å; A39-T42 PolarHBondContact O-OG1 3.33Å; A39-K44 PolarHBondContact O-NZ 2.85Å; A39-L251 HydrophobicContact CB-CD2 3.68Å; A39-A369 HydrophobicContact CB-CB 3.95Å; A39-V373 HydrophobicContact CB-CG2 4.16Å
40	T	95.5	Very high	95.4	Very high	17 Å²	17	17.2 Å²	17.2	10%	0.104	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	142.9	166.8	-161.7	0	0	0	0	109.6	L255 R258 T365 Y368 A369	T40-L255 HydrophobicContact CG2-CD2 3.63Å; T40-L255 WeakPolarHBondContact O-CD2 2.94Å; T40-R258 PolarHBondContact OG1-NH1 3.17Å; T40-R258 PolarHBondContact OG1-NH2 3.23Å; T40-T365 HydrophobicContact CG2-CG2 3.86Å; T40-Y368 HydrophobicContact CG2-CD1 4.19Å; T40-A369 HydrophobicContact CG2-CB 4.43Å
41	G	93.6	Very high	96.3	Very high	21 Å²	21	12.6 Å²	12.6	22%	0.216	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	-4.6	-178.3	0	0	0	0	0	116.9	G43 R258	G41-G43 VanDerWaalsContact C-N 3.31Å; G41-G43 PolarHBondContact O-N 3.2Å; G41-R258 VanDerWaalsContact N-NH1 3.16Å
42	T	95.8	Very high	96.7	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.006	7%	0.073	C	C	.	.	S	Bend	trans	-83.5	8.5	-177.6	61	0	0	0	0	115.8	A39 K44 L244 C246 L251 V396	A39-T42 HydrophobicContact CB-CG2 3.95Å; A39-T42 PolarHBondContact O-N 2.87Å; A39-T42 PolarHBondContact O-OG1 3.33Å; T42-K44 WeakPolarHBondContact OG1-CG 3.26Å; T42-L244 VanDerWaalsContact O-CD1 3.25Å; T42-L244 WeakPolarHBondContact O-CD1 3.44Å; T42-C246 HydrophobicContact CG2-CB 4.34Å; T42-L251 HydrophobicContact CG2-CD1 3.92Å; T42-V396 HydrophobicContact CG2-CG2 4.5Å
43	G	95.1	Very high	96.8	Very high	23 Å²	23	15.3 Å²	15.3	24%	0.237	9%	0.091	C	C	.	.			trans	81.6	16.1	178.9	0	0	0	0	0	116.2	G41 S45 K46 L47	G41-G43 VanDerWaalsContact C-N 3.31Å; G41-G43 PolarHBondContact O-N 3.2Å; G43-S45 PolarHBondContact O-N 3.34Å; G43-K46 WeakPolarHBondContact O-CB 3.32Å; G43-K46 PolarHBondContact O-N 2.96Å; G43-K46 VanDerWaalsContact O-N 3.14Å; G43-L47 PolarHBondContact O-N 3.46Å
44	K	97.8	Very high	96.7	Very high	19 Å²	19	15.5 Å²	15.5	8%	0.083	9%	0.093	C	C	.	.	H	α-helix	trans	-49.8	-49.5	-178.5	-61.4	-175.8	-59.2	-56.1	0	114.3	I36 A39 T42 L47 A48 V129 G130 L244	I36-K44 HydrophobicContact CG2-CB 3.94Å; I36-K44 HydrophobicContact CG2-CG 4.13Å; A39-K44 PolarHBondContact O-NZ 2.85Å; T42-K44 WeakPolarHBondContact OG1-CG 3.26Å; K44-L47 PolarHBondContact O-N 2.8Å; K44-A48 PolarHBondContact O-N 3.27Å; K44-V129 HydrophobicContact CB-CG2 3.72Å; K44-G130 WeakPolarHBondContact CE-O 3.43Å; K44-L244 HydrophobicContact CG-CD1 4.11Å
45	S	97.4	Very high	96.4	Very high	36 Å²	36	16.3 Å²	16.3	25%	0.252	10%	0.096	S	C	.	.	H	α-helix	trans	-66.1	-39.2	-178.3	-44.7	0	0	0	0	111.9	G43 L47 A48 V49	G43-S45 PolarHBondContact O-N 3.34Å; S45-L47 VanDerWaalsContact C-N 3.33Å; S45-L47 PolarHBondContact O-N 3.04Å; S45-A48 WeakPolarHBondContact O-CB 3.47Å; S45-A48 PolarHBondContact O-N 3.07Å; S45-V49 WeakPolarHBondContact O-CG2 3.37Å; S45-V49 PolarHBondContact O-N 3.2Å
46	K	96.9	Very high	96.1	Very high	90 Å²	90	17.8 Å²	17.8	39%	0.391	11%	0.111	S	C	.	.	H	α-helix	trans	-59.2	-45.1	174.6	-173.5	-177	176	-175.5	0	111	G43 N50 W408	G43-K46 WeakPolarHBondContact O-CB 3.32Å; G43-K46 PolarHBondContact O-N 2.96Å; G43-K46 VanDerWaalsContact O-N 3.14Å; K46-N50 WeakPolarHBondContact O-CB 3.1Å; K46-N50 PolarHBondContact O-N 3.42Å; K46-N50 PolarHBondContact O-ND2 3.44Å; K46-W408 HydrophobicContact CB-CH2 3.83Å; K46-W408 HydrophobicContact CB-CZ2 3.98Å; K46-W408 HydrophobicContact CD-CD2 4.09Å; K46-W408 HydrophobicContact CD-CE3 4.15Å; K46-W408 HydrophobicContact CD-CH2 3.74Å; K46-W408 HydrophobicContact CD-CZ2 3.64Å; K46-W408 HydrophobicContact CD-CZ3 3.98Å; K46-W408 HydrophobicContact CG-CH2 3.8Å; K46-W408 HydrophobicContact CG-CZ2 3.51Å
47	L	98	Very high	95.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.2	-43.2	175.7	-179.4	60.2	0	0	0	111.8	I36 G43 K44 S45 V49 N50 L51 L242 L244 W408 I412 T416	I36-L47 HydrophobicContact CD1-CB 4.44Å; I36-L47 HydrophobicContact CD1-CD2 4.34Å; I36-L47 HydrophobicContact CD1-CG 4.08Å; I36-L47 HydrophobicContact CG2-CD2 4.21Å; G43-L47 PolarHBondContact O-N 3.46Å; K44-L47 PolarHBondContact O-N 2.8Å; S45-L47 VanDerWaalsContact C-N 3.33Å; S45-L47 PolarHBondContact O-N 3.04Å; L47-V49 PolarHBondContact O-N 3.2Å; L47-N50 PolarHBondContact O-N 3.41Å; L47-L51 HydrophobicContact CD1-CD1 3.89Å; L47-L51 HydrophobicContact CD1-CD2 4.29Å; L47-L51 HydrophobicContact CD1-CG 3.81Å; L47-L51 HydrophobicContact CD2-CD1 4.37Å; L47-L51 HydrophobicContact CG-CD1 3.82Å; L47-L51 HydrophobicContact CG-CG 4.17Å; L47-L51 WeakPolarHBondContact O-CB 3.41Å; L47-L51 WeakPolarHBondContact O-CG 3.24Å; L47-L51 PolarHBondContact O-N 3.2Å; L47-L242 HydrophobicContact CD2-CD1 4.32Å; L47-L244 HydrophobicContact CB-CD1 4.39Å; L47-L244 HydrophobicContact CD2-CD1 4.14Å; L47-L244 HydrophobicContact CD2-CD2 3.75Å; L47-L244 HydrophobicContact CD2-CG 4.29Å; L47-W408 HydrophobicContact CB-CH2 3.98Å; L47-W408 HydrophobicContact CB-CZ2 4.15Å; L47-I412 HydrophobicContact CD1-CG2 4.2Å; L47-I412 HydrophobicContact CD2-CG2 4.44Å; L47-T416 HydrophobicContact CD1-CG2 4.49Å; L47-T416 HydrophobicContact CD2-CG2 4.15Å
48	A	98.5	Very high	96	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58	-47.4	179.5	0	0	0	0	0	112.3	I36 K44 S45 L51 A52 V59 I127 V129	I36-A48 VanDerWaalsContact CD1-CA 3.46Å; I36-A48 HydrophobicContact CD1-CB 3.7Å; K44-A48 PolarHBondContact O-N 3.27Å; S45-A48 WeakPolarHBondContact O-CB 3.47Å; S45-A48 PolarHBondContact O-N 3.07Å; A48-L51 PolarHBondContact O-N 3.39Å; A48-A52 VanDerWaalsContact O-CB 3.28Å; A48-A52 WeakPolarHBondContact O-CB 3.32Å; A48-A52 PolarHBondContact O-N 3.03Å; A48-V59 HydrophobicContact CB-CG1 4.27Å; A48-V59 HydrophobicContact CB-CG2 3.99Å; A48-I127 HydrophobicContact CB-CG2 3.99Å; A48-V129 HydrophobicContact CB-CB 3.96Å; A48-V129 HydrophobicContact CB-CG1 4.18Å; A48-V129 HydrophobicContact CB-CG2 4Å
49	V	98.2	Very high	96.1	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.012	12%	0.118	C	C	.	.	H	α-helix	trans	-63.1	-44.3	176.6	173.4	0	0	0	0	111.3	S45 L47 L51 A52 N53 I78 L84 V86	S45-V49 WeakPolarHBondContact O-CG2 3.37Å; S45-V49 PolarHBondContact O-N 3.2Å; L47-V49 PolarHBondContact O-N 3.2Å; V49-L51 PolarHBondContact O-N 2.81Å; V49-A52 PolarHBondContact O-N 3.49Å; V49-N53 WeakPolarHBondContact O-CB 3.46Å; V49-N53 PolarHBondContact O-N 2.99Å; V49-I78 HydrophobicContact CG2-CD1 3.61Å; V49-L84 HydrophobicContact CG1-CB 4.04Å; V49-L84 HydrophobicContact CG1-CD1 3.93Å; V49-L84 HydrophobicContact CG1-CG 4.19Å; V49-V86 HydrophobicContact CG1-CG2 4.02Å
50	N	97	Very high	96.2	Very high	28 Å²	28	18.7 Å²	18.7	15%	0.15	12%	0.117	C	C	.	.	H	α-helix	trans	-60.1	-46.3	178.3	-75.6	-172.4	0	0	0	111.8	K46 L47 N53 V54 W408 I413	K46-N50 WeakPolarHBondContact O-CB 3.1Å; K46-N50 PolarHBondContact O-N 3.42Å; K46-N50 PolarHBondContact O-ND2 3.44Å; L47-N50 PolarHBondContact O-N 3.41Å; N50-N53 PolarHBondContact O-N 3.08Å; N50-V54 VanDerWaalsContact O-CG2 3.3Å; N50-V54 WeakPolarHBondContact O-CG2 3.36Å; N50-V54 PolarHBondContact O-N 3.49Å; N50-V54 VanDerWaalsContact O-N 3.09Å; N50-W408 PolarHBondContact OD1-NE1 2.95Å; N50-I413 HydrophobicContact CB-CD1 3.73Å; N50-I413 HydrophobicContact CB-CG1 4.28Å
51	L	97.2	Very high	96.4	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-67	-40.1	177.5	-67.5	177.6	0	0	0	112.1	I36 L47 A48 V49 N53 V54 F55 I127 L242 V417 I420	I36-L51 HydrophobicContact CD1-CD1 3.97Å; L47-L51 HydrophobicContact CD1-CD1 3.89Å; L47-L51 HydrophobicContact CD1-CD2 4.29Å; L47-L51 HydrophobicContact CD1-CG 3.81Å; L47-L51 HydrophobicContact CD2-CD1 4.37Å; L47-L51 HydrophobicContact CG-CD1 3.82Å; L47-L51 HydrophobicContact CG-CG 4.17Å; L47-L51 WeakPolarHBondContact O-CB 3.41Å; L47-L51 WeakPolarHBondContact O-CG 3.24Å; L47-L51 PolarHBondContact O-N 3.2Å; A48-L51 PolarHBondContact O-N 3.39Å; V49-L51 PolarHBondContact O-N 2.81Å; L51-N53 VanDerWaalsContact C-N 3.33Å; L51-N53 PolarHBondContact O-N 3.32Å; L51-V54 PolarHBondContact O-N 3.44Å; L51-F55 HydrophobicContact CD2-CD2 4.43Å; L51-F55 HydrophobicContact CD2-CE2 4.08Å; L51-F55 WeakPolarHBondContact O-CD2 3.48Å; L51-F55 PolarHBondContact O-N 3.14Å; L51-I127 HydrophobicContact CB-CD1 3.87Å; L51-L242 HydrophobicContact CD1-CD1 3.79Å; L51-V417 HydrophobicContact CD2-CG2 3.64Å; L51-I420 HydrophobicContact CD1-CD1 3.58Å; L51-I420 HydrophobicContact CD2-CD1 3.77Å; L51-I420 HydrophobicContact CG-CD1 4.16Å
52	A	96.5	Very high	96.5	Very high	3 Å²	3	17 Å²	17	3%	0.025	10%	0.102	C	C	.	.	H	α-helix	trans	-61.8	-41.3	176.3	0	0	0	0	0	111.9	A48 V49 G56 G57 V59 V86 I127	A48-A52 VanDerWaalsContact O-CB 3.28Å; A48-A52 WeakPolarHBondContact O-CB 3.32Å; A48-A52 PolarHBondContact O-N 3.03Å; V49-A52 PolarHBondContact O-N 3.49Å; A52-G56 CarbonylContact O-C 3.54Å; A52-G56 VanDerWaalsContact O-CA 3.23Å; A52-G56 WeakPolarHBondContact O-CA 3.34Å; A52-G56 PolarHBondContact O-N 3.24Å; A52-G57 PolarHBondContact O-N 3.34Å; A52-V59 HydrophobicContact CB-CG2 4.18Å; A52-V86 HydrophobicContact CB-CB 4.32Å; A52-V86 HydrophobicContact CB-CG1 3.41Å; A52-V86 VanDerWaalsContact CB-CG1 3.41Å; A52-V86 HydrophobicContact CB-CG2 3.88Å; A52-I127 HydrophobicContact CB-CD1 3.83Å
53	N	94.4	Very high	96.5	Very high	80 Å²	80	17.8 Å²	17.8	43%	0.428	11%	0.106	S	C	.	.	H	α-helix	trans	-65.6	-39.9	175.6	-79.3	-23.4	0	0	0	112.7	V49 N50 L51 V86	V49-N53 WeakPolarHBondContact O-CB 3.46Å; V49-N53 PolarHBondContact O-N 2.99Å; N50-N53 PolarHBondContact O-N 3.08Å; L51-N53 VanDerWaalsContact C-N 3.33Å; L51-N53 PolarHBondContact O-N 3.32Å; N53-V86 WeakPolarHBondContact OD1-CG2 3.41Å
54	V	94.2	Very high	96.4	Very high	4 Å²	4	17.5 Å²	17.5	2%	0.024	10%	0.101	C	C	.	.	H	α-helix	trans	-69.3	-44.4	180	172	0	0	0	0	111.8	N50 L51 V417 N438 Y440 L441 L444	N50-V54 VanDerWaalsContact O-CG2 3.3Å; N50-V54 WeakPolarHBondContact O-CG2 3.36Å; N50-V54 PolarHBondContact O-N 3.49Å; N50-V54 VanDerWaalsContact O-N 3.09Å; L51-V54 PolarHBondContact O-N 3.44Å; V54-V417 HydrophobicContact CG1-CG1 4.18Å; V54-V417 HydrophobicContact CG1-CG2 4.21Å; V54-V417 HydrophobicContact CG2-CG2 4.35Å; V54-N438 PolarHBondContact O-ND2 2.72Å; V54-Y440 HydrophobicContact CG2-CD1 3.9Å; V54-Y440 HydrophobicContact CG2-CE1 3.72Å; V54-L441 HydrophobicContact CG1-CB 4.29Å; V54-L441 HydrophobicContact CG1-CD1 3.83Å; V54-L444 HydrophobicContact CG2-CD1 4.16Å
55	F	92.9	Very high	96.1	Very high	17 Å²	17	18.3 Å²	18.3	8%	0.075	11%	0.107	C	C	.	.	H	α-helix	trans	-103.6	1.8	-170.9	-65.1	-68.8	0	0	0	114.7	L51 L125 V417 I420 L424 L435 L441	L51-F55 HydrophobicContact CD2-CD2 4.43Å; L51-F55 HydrophobicContact CD2-CE2 4.08Å; L51-F55 WeakPolarHBondContact O-CD2 3.48Å; L51-F55 PolarHBondContact O-N 3.14Å; F55-L125 HydrophobicContact CB-CD2 3.76Å; F55-L125 HydrophobicContact CD2-CD2 4.4Å; F55-L125 HydrophobicContact CG-CD2 4.22Å; F55-V417 HydrophobicContact CE2-CB 4.39Å; F55-V417 HydrophobicContact CE2-CG1 4.32Å; F55-V417 HydrophobicContact CE2-CG2 4.06Å; F55-V417 HydrophobicContact CZ-CB 4.37Å; F55-V417 HydrophobicContact CZ-CG1 3.91Å; F55-V417 HydrophobicContact CZ-CG2 4.47Å; F55-V417 WeakPolarHBondContact CZ-O 3.47Å; F55-I420 HydrophobicContact CD1-CG2 4.25Å; F55-I420 HydrophobicContact CD2-CB 4.4Å; F55-I420 HydrophobicContact CD2-CG2 3.78Å; F55-I420 HydrophobicContact CE1-CG2 4.03Å; F55-I420 HydrophobicContact CE2-CB 3.7Å; F55-I420 HydrophobicContact CE2-CD1 4.2Å; F55-I420 HydrophobicContact CE2-CG2 3.52Å; F55-I420 HydrophobicContact CG-CG2 4.14Å; F55-I420 HydrophobicContact CZ-CB 3.81Å; F55-I420 HydrophobicContact CZ-CG2 3.65Å; F55-L424 HydrophobicContact CD1-CD1 3.51Å; F55-L424 HydrophobicContact CE1-CD1 3.83Å; F55-L424 HydrophobicContact CG-CD1 4.21Å; F55-L435 HydrophobicContact CD1-CD1 3.76Å; F55-L435 HydrophobicContact CD1-CD2 4.31Å; F55-L435 HydrophobicContact CE1-CD1 4.18Å; F55-L441 HydrophobicContact CE1-CD1 4.39Å; F55-L441 HydrophobicContact CZ-CD1 4.4Å
56	G	91.9	Very high	95.9	Very high	30 Å²	30	17.5 Å²	17.5	31%	0.309	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	48.1	-173.1	0	0	0	0	0	111.9	A52 K124	A52-G56 CarbonylContact O-C 3.54Å; A52-G56 VanDerWaalsContact O-CA 3.23Å; A52-G56 WeakPolarHBondContact O-CA 3.34Å; A52-G56 PolarHBondContact O-N 3.24Å; G56-K124 WeakPolarHBondContact O-CD 3.38Å
57	G	94.8	Very high	95.8	Very high	7 Å²	7	13.4 Å²	13.4	7%	0.072	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	171.7	-179.6	0	0	0	0	0	114.3	A52 L125	A52-G57 PolarHBondContact O-N 3.34Å; G57-L125 CarbonylContact C-O 3.59Å; G57-L125 WeakPolarHBondContact CA-O 3.39Å
58	E	98	Very high	95.4	Very high	15 Å²	15	13.9 Å²	13.9	7%	0.07	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.3	170.6	-62.3	-173.1	-150.6	0	0	109.1	P87 H89 I118 R122 K124 L125 I127	E58-P87 HydrophobicContact CB-CB 4.41Å; E58-P87 HydrophobicContact CG-CB 4.06Å; E58-P87 HydrophobicContact CG-CG 4.12Å; E58-H89 IonicContact OE2-CD2 2.76Å; E58-H89 IonicContact OE2-CE1 2.67Å; E58-H89 PolarHBondContact OE2-CE1 3.32Å; E58-H89 IonicContact OE2-NE2 2.77Å; E58-H89 PolarHBondContact OE2-NE2 2.8Å; E58-I118 HydrophobicContact CB-CD1 4.17Å; E58-I118 HydrophobicContact CB-CG1 4.48Å; E58-I118 HydrophobicContact CB-CG2 4.19Å; E58-R122 WeakPolarHBondContact OE1-CD 3.31Å; E58-R122 IonicContact OE1-NH1 3.4Å; E58-R122 PolarHBondContact OE1-NH1 3.43Å; E58-R122 IonicContact OE2-CZ 2.76Å; E58-R122 IonicContact OE2-NH1 3.42Å; E58-R122 PolarHBondContact OE2-NH1 2.79Å; E58-K124 HydrophobicContact CG-CB 4.2Å; E58-K124 HydrophobicContact CG-CG 4.49Å; E58-L125 PolarHBondContact N-O 3.41Å; E58-I127 PolarHBondContact O-N 2.92Å
59	V	98.6	Very high	95	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	131.1	-174.6	176.1	0	0	0	0	110.2	A48 A52 V86 P87 H88 H89 I127 V129	A48-V59 HydrophobicContact CB-CG1 4.27Å; A48-V59 HydrophobicContact CB-CG2 3.99Å; A52-V59 HydrophobicContact CB-CG2 4.18Å; V59-V86 HydrophobicContact CB-CG1 4.48Å; V59-V86 HydrophobicContact CG2-CG1 3.75Å; V59-P87 PolarHBondContact N-O 3.11Å; V59-H88 VanDerWaalsContact CG1-CD2 3.49Å; V59-H88 WeakPolarHBondContact CG1-CD2 3.34Å; V59-H88 CarbonylContact O-C 3.57Å; V59-H88 WeakPolarHBondContact O-CA 3.33Å; V59-H89 PolarHBondContact O-CD2 2.74Å; V59-H89 PolarHBondContact O-N 3.39Å; V59-I127 CarbonylContact C-O 3.49Å; V59-I127 WeakPolarHBondContact CA-O 3.43Å; V59-V129 HydrophobicContact CG1-CB 4.35Å; V59-V129 HydrophobicContact CG1-CG1 3.31Å
60	V	98.6	Very high	94.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	117.3	176.5	-176.4	0	0	0	0	109.1	H89 L90 L114 I118 I127 L128 V129	V60-H89 HydrophobicContact CG2-CB 4.42Å; V60-L90 HydrophobicContact CG1-CD1 3.71Å; V60-L90 HydrophobicContact CG1-CG 4.17Å; V60-L114 HydrophobicContact CG1-CD2 3.94Å; V60-L114 HydrophobicContact CG2-CD2 4.16Å; V60-I118 HydrophobicContact CG2-CD1 3.63Å; V60-I127 PolarHBondContact N-O 2.65Å; V60-L128 HydrophobicContact CB-CD2 3.65Å; V60-L128 HydrophobicContact CG1-CD2 4.08Å; V60-L128 HydrophobicContact CG2-CD2 4.15Å; V60-L128 CarbonylContact O-C 3.56Å; V60-L128 VanDerWaalsContact O-CA 3.31Å; V60-L128 WeakPolarHBondContact O-CA 3.39Å; V60-V129 PolarHBondContact O-N 3.33Å
61	N	98.3	Very high	93.9	Very high	1 Å²	1	17 Å²	17	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	138.7	178.4	170.6	59.3	0	0	0	111.7	D63 Q66 H89 L90 I91 Y107 V129	N61-D63 PolarHBondContact ND2-O 2.84Å; N61-D63 WeakPolarHBondContact OD1-CB 3.46Å; N61-D63 PolarHBondContact OD1-N 3.47Å; N61-Q66 PolarHBondContact OD1-OE1 3.34Å; N61-H89 WeakPolarHBondContact CB-O 3.41Å; N61-H89 PolarHBondContact N-O 2.98Å; N61-L90 WeakPolarHBondContact CB-O 3.33Å; N61-L90 PolarHBondContact ND2-O 3.1Å; N61-I91 HydrophobicContact CB-CD1 4.2Å; N61-I91 HydrophobicContact CB-CG1 3.53Å; N61-Y107 WeakPolarHBondContact O-CE2 3.48Å; N61-Y107 PolarHBondContact O-OH 3.4Å; N61-V129 CarbonylContact C-O 3.33Å; N61-V129 WeakPolarHBondContact CA-O 3.48Å
62	F	97.2	Very high	93.7	Very high	1 Å²	1	21 Å²	21	0%	0.004	14%	0.136	C	C	.	.			trans	-124.9	13.1	167.5	68.9	-102.1	0	0	0	113.5	I36 C37 A64 Y107 L128 V129 G130 T132 L136	I36-F62 WeakPolarHBondContact O-CZ 3.33Å; C37-F62 HydrophobicContact CB-CZ 4.48Å; F62-A64 PolarHBondContact O-N 3.17Å; F62-Y107 VanDerWaalsContact CA-OH 3.3Å; F62-Y107 WeakPolarHBondContact CA-OH 3.34Å; F62-Y107 HydrophobicContact CB-CE1 4.37Å; F62-Y107 WeakPolarHBondContact CB-OH 3.34Å; F62-L128 HydrophobicContact CD1-CB 3.91Å; F62-L128 HydrophobicContact CE1-CB 4.13Å; F62-V129 VanDerWaalsContact CD1-O 3.31Å; F62-V129 WeakPolarHBondContact CD1-O 3.35Å; F62-V129 PolarHBondContact N-O 3.41Å; F62-G130 VanDerWaalsContact CE2-CA 3.44Å; F62-G130 WeakPolarHBondContact CE2-O 3.33Å; F62-G130 VanDerWaalsContact CZ-C 3.49Å; F62-G130 WeakPolarHBondContact CZ-O 3.26Å; F62-T132 VanDerWaalsContact O-CB 3.29Å; F62-T132 WeakPolarHBondContact O-CB 3.5Å; F62-L136 HydrophobicContact CD1-CD1 4.07Å; F62-L136 HydrophobicContact CD2-CB 3.94Å; F62-L136 HydrophobicContact CE1-CB 4.5Å; F62-L136 HydrophobicContact CE1-CD1 3.92Å; F62-L136 HydrophobicContact CE1-CD2 4.23Å; F62-L136 HydrophobicContact CE1-CG 4.45Å; F62-L136 HydrophobicContact CE2-CB 3.9Å; F62-L136 HydrophobicContact CE2-CD2 4.29Å; F62-L136 HydrophobicContact CG-CB 4.31Å; F62-L136 HydrophobicContact CZ-CB 4.19Å; F62-L136 HydrophobicContact CZ-CD1 4.32Å; F62-L136 HydrophobicContact CZ-CD2 3.85Å; F62-L136 HydrophobicContact CZ-CG 4.35Å
63	D	95.7	Very high	93.6	Very high	18 Å²	18	23 Å²	23	10%	0.096	15%	0.146	C	C	.	.			trans	-77.7	116.8	168.8	-161.3	-62.9	0	0	0	110.5	N61 L65 Q66 L67 G131	N61-D63 PolarHBondContact ND2-O 2.84Å; N61-D63 WeakPolarHBondContact OD1-CB 3.46Å; N61-D63 PolarHBondContact OD1-N 3.47Å; D63-L65 PolarHBondContact O-N 3.49Å; D63-L65 PolarHBondContact OD1-N 3.39Å; D63-L65 VanDerWaalsContact OD1-N 3.08Å; D63-Q66 HydrophobicContact CB-CB 4.09Å; D63-Q66 HydrophobicContact CB-CG 3.9Å; D63-Q66 PolarHBondContact O-N 3.34Å; D63-Q66 VanDerWaalsContact O-N 3.13Å; D63-L67 PolarHBondContact O-N 2.84Å; D63-G131 PolarHBondContact OD2-N 3.17Å
64	A	92.3	Very high	93.5	Very high	16 Å²	16	19.7 Å²	19.7	13%	0.132	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-27.5	-174.4	0	0	0	0	0	113.3	F62 Y68 T132 Y135	F62-A64 PolarHBondContact O-N 3.17Å; A64-Y68 WeakPolarHBondContact O-CE2 3.38Å; A64-T132 HydrophobicContact CB-CG2 3.95Å; A64-T132 PolarHBondContact N-OG1 3.24Å; A64-Y135 HydrophobicContact CB-CD2 4.23Å; A64-Y135 HydrophobicContact CB-CE1 4.24Å; A64-Y135 HydrophobicContact CB-CE2 3.73Å
65	L	91.4	Very high	93.4	Very high	37 Å²	37	20 Å²	20	19%	0.194	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-28.9	178.4	-63.4	177.1	0	0	0	111.9	D63 L67 Y68 T75	D63-L65 PolarHBondContact O-N 3.49Å; D63-L65 PolarHBondContact OD1-N 3.39Å; D63-L65 VanDerWaalsContact OD1-N 3.08Å; L65-L67 PolarHBondContact O-N 3.49Å; L65-Y68 WeakPolarHBondContact O-CD2 3.42Å; L65-Y68 PolarHBondContact O-N 2.98Å; L65-T75 HydrophobicContact CB-CG2 3.88Å
66	Q	94.4	Very high	93.4	Very high	19 Å²	19	21.9 Å²	21.9	9%	0.089	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-9.6	177.9	-63.6	-172.9	-6.2	0	0	113.3	N61 D63 Y68 T75 N76 K77 I91 G92	N61-Q66 PolarHBondContact OD1-OE1 3.34Å; D63-Q66 HydrophobicContact CB-CB 4.09Å; D63-Q66 HydrophobicContact CB-CG 3.9Å; D63-Q66 PolarHBondContact O-N 3.34Å; D63-Q66 VanDerWaalsContact O-N 3.13Å; Q66-Y68 PolarHBondContact O-N 3.41Å; Q66-T75 PolarHBondContact NE2-O 2.9Å; Q66-N76 PolarHBondContact NE2-O 2.78Å; Q66-K77 HydrophobicContact CB-CG 4.18Å; Q66-K77 HydrophobicContact CG-CG 3.98Å; Q66-K77 WeakPolarHBondContact O-CE 3.18Å; Q66-I91 CarbonylContact O-C 3.6Å; Q66-I91 WeakPolarHBondContact O-CA 3.33Å; Q66-G92 PolarHBondContact O-N 3.2Å
67	L	93.3	Very high	93.6	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.021	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-24	171.1	-65.1	170	0	0	0	112.5	D63 L65 L90 G92 I93 Y94 Y107 Y135	D63-L67 PolarHBondContact O-N 2.84Å; L65-L67 PolarHBondContact O-N 3.49Å; L67-L90 HydrophobicContact CD2-CB 3.98Å; L67-L90 VanDerWaalsContact CD2-O 3.29Å; L67-L90 WeakPolarHBondContact CD2-O 3.41Å; L67-G92 CarbonylContact O-C 3.47Å; L67-G92 VanDerWaalsContact O-C 3.31Å; L67-G92 WeakPolarHBondContact O-CA 2.95Å; L67-G92 PolarHBondContact O-N 3.34Å; L67-I93 HydrophobicContact CB-CG1 4.46Å; L67-I93 HydrophobicContact CD2-CD1 3.92Å; L67-I93 HydrophobicContact CD2-CG1 4.15Å; L67-I93 PolarHBondContact O-N 3.1Å; L67-Y94 HydrophobicContact CB-CD2 3.88Å; L67-Y94 HydrophobicContact CB-CE2 4.33Å; L67-Y94 HydrophobicContact CD1-CE2 4.31Å; L67-Y94 PolarHBondContact O-N 3.5Å; L67-Y107 HydrophobicContact CD1-CD2 3.96Å; L67-Y107 HydrophobicContact CD2-CD2 3.94Å; L67-Y107 HydrophobicContact CD2-CE2 4.1Å; L67-Y135 HydrophobicContact CD1-CE2 3.94Å
68	Y	90.3	Very high	93.6	Very high	9 Å²	9	22.6 Å²	22.6	4%	0.035	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-89.9	139.3	-176.4	-60.5	-72.2	0	0	0	112.5	A64 L65 Q66 K77 Y94 G99 G324 L325	A64-Y68 WeakPolarHBondContact O-CE2 3.38Å; L65-Y68 WeakPolarHBondContact O-CD2 3.42Å; L65-Y68 PolarHBondContact O-N 2.98Å; Q66-Y68 PolarHBondContact O-N 3.41Å; Y68-K77 WeakPolarHBondContact O-CE 3.23Å; Y68-K77 PolarHBondContact O-NZ 3.14Å; Y68-Y94 CarbonylContact C-O 3.47Å; Y68-Y94 VanDerWaalsContact CA-O 3.25Å; Y68-Y94 WeakPolarHBondContact CA-O 3.24Å; Y68-Y94 HydrophobicContact CE1-CD2 4.45Å; Y68-G99 VanDerWaalsContact CE1-CA 3.4Å; Y68-G99 PolarHBondContact OH-O 3.11Å; Y68-G324 WeakPolarHBondContact OH-CA 3.5Å; Y68-L325 HydrophobicContact CD2-CB 4.36Å; Y68-L325 HydrophobicContact CD2-CD1 3.57Å; Y68-L325 HydrophobicContact CG-CB 4.38Å; Y68-L325 HydrophobicContact CG-CD1 3.69Å
69	S	89.3	Confident	93.4	Very high	43 Å²	43	24.4 Å²	24.4	30%	0.301	15%	0.151	S	C	.	.	S	Bend	trans	-79.5	163.3	174.7	59.5	0	0	0	0	112.2	I71 Y94 P96	S69-I71 PolarHBondContact O-N 3.27Å; S69-Y94 PolarHBondContact N-O 2.97Å; S69-Y94 PolarHBondContact OG-O 3.32Å; S69-P96 VanDerWaalsContact O-CG 3.27Å; S69-P96 WeakPolarHBondContact O-CG 3.27Å
70	G	85.8	Confident	93.1	Very high	52 Å²	52	33 Å²	33	54%	0.536	19%	0.191	S	C	.	.	S	Bend	trans	83.9	-8	164.7	0	0	0	0	0	117.8
71	I	87.5	Confident	93	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	23%	0.226	C	C	.	.			trans	-128.1	73.4	170.9	61.1	155.3	0	0	0	111.9	S69 A74 T75 K77 E270 F274 L325	S69-I71 PolarHBondContact O-N 3.27Å; I71-A74 HydrophobicContact CB-CB 4.32Å; I71-A74 HydrophobicContact CD1-CB 4.2Å; I71-T75 HydrophobicContact CD1-CG2 3.54Å; I71-T75 HydrophobicContact CG1-CG2 3.78Å; I71-T75 WeakPolarHBondContact O-CB 3.24Å; I71-T75 WeakPolarHBondContact O-CG2 3.25Å; I71-T75 PolarHBondContact O-N 3.46Å; I71-T75 PolarHBondContact O-OG1 2.65Å; I71-K77 PolarHBondContact O-NZ 3.14Å; I71-E270 VanDerWaalsContact CA-CD 3.45Å; I71-E270 WeakPolarHBondContact CA-OE1 3.45Å; I71-E270 HydrophobicContact CB-CG 4.37Å; I71-E270 HydrophobicContact CG2-CG 4.26Å; I71-F274 HydrophobicContact CG2-CB 3.92Å; I71-F274 HydrophobicContact CG2-CD2 3.69Å; I71-F274 HydrophobicContact CG2-CE2 4.42Å; I71-F274 HydrophobicContact CG2-CG 3.82Å; I71-L325 HydrophobicContact CD1-CD1 3.16Å; I71-L325 HydrophobicContact CD1-CD2 3.62Å; I71-L325 HydrophobicContact CD1-CG 3.4Å; I71-L325 HydrophobicContact CG1-CD1 3.61Å; I71-L325 HydrophobicContact CG1-CD2 3.74Å; I71-L325 HydrophobicContact CG1-CG 4Å; I71-L325 HydrophobicContact CG2-CD2 4.4Å
72	D	93.2	Very high	92.8	Very high	83 Å²	83	44 Å²	44	44%	0.444	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-38	-169.2	-59.9	-17.5	0	0	0	111.9	N76 K77 E270	D72-N76 VanDerWaalsContact O-CA 3.3Å; D72-N76 WeakPolarHBondContact O-CA 3.46Å; D72-N76 PolarHBondContact O-N 2.83Å; D72-K77 HydrophobicContact CB-CB 4.43Å; D72-K77 HydrophobicContact CB-CD 4.31Å; D72-K77 PolarHBondContact O-N 2.78Å; D72-K77 VanDerWaalsContact OD1-CD 3.29Å; D72-K77 WeakPolarHBondContact OD1-CD 3.38Å; D72-K77 WeakPolarHBondContact OD1-CE 3.5Å; D72-K77 IonicContact OD1-NZ 2.63Å; D72-K77 PolarHBondContact OD1-NZ 3.15Å; D72-E270 PolarHBondContact N-OE2 3.37Å
73	I	93.7	Very high	92.8	Very high	45 Å²	45	44.5 Å²	44.5	23%	0.231	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-53.8	177.9	-57.7	170.1	0	0	0	109.5	T75 N76 M262 S265 L267 E270	I73-T75 VanDerWaalsContact C-N 3.26Å; I73-T75 PolarHBondContact O-N 3.25Å; I73-N76 WeakPolarHBondContact O-CA 3.44Å; I73-N76 PolarHBondContact O-N 3.29Å; I73-M262 HydrophobicContact CG2-CB 3.97Å; I73-M262 HydrophobicContact CG2-CG 4.22Å; I73-M262 VanDerWaalsContact O-CE 3.29Å; I73-M262 WeakPolarHBondContact O-CE 3.33Å; I73-S265 WeakPolarHBondContact CD1-O 3.1Å; I73-L267 HydrophobicContact CG2-CB 3.99Å; I73-L267 HydrophobicContact CG2-CD1 4.14Å; I73-E270 WeakPolarHBondContact CB-OE1 3.25Å; I73-E270 HydrophobicContact CD1-CB 4.3Å; I73-E270 WeakPolarHBondContact CG1-OE2 3.49Å; I73-E270 PolarHBondContact N-OE1 3.48Å; I73-E270 PolarHBondContact N-OE2 3.03Å
74	A	91.4	Very high	92.7	Very high	11 Å²	11	49 Å²	49	9%	0.091	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-37	-178	0	0	0	0	0	112.5	I71 L267 E270 L271	I71-A74 HydrophobicContact CB-CB 4.32Å; I71-A74 HydrophobicContact CD1-CB 4.2Å; A74-L267 HydrophobicContact CB-CD1 3.6Å; A74-E270 WeakPolarHBondContact CB-OE1 3.48Å; A74-E270 PolarHBondContact N-OE1 3.32Å; A74-L271 HydrophobicContact CB-CD2 4.29Å
75	T	92	Very high	92.9	Very high	10 Å²	10	51.7 Å²	51.7	6%	0.061	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-0.7	177.4	65	0	0	0	0	113.5	L65 Q66 I71 I73 K77 L325	L65-T75 HydrophobicContact CB-CG2 3.88Å; Q66-T75 PolarHBondContact NE2-O 2.9Å; I71-T75 HydrophobicContact CD1-CG2 3.54Å; I71-T75 HydrophobicContact CG1-CG2 3.78Å; I71-T75 WeakPolarHBondContact O-CB 3.24Å; I71-T75 WeakPolarHBondContact O-CG2 3.25Å; I71-T75 PolarHBondContact O-N 3.46Å; I71-T75 PolarHBondContact O-OG1 2.65Å; I73-T75 VanDerWaalsContact C-N 3.26Å; I73-T75 PolarHBondContact O-N 3.25Å; T75-K77 VanDerWaalsContact C-N 3.31Å; T75-K77 PolarHBondContact O-N 2.95Å; T75-K77 WeakPolarHBondContact OG1-CE 3.27Å; T75-K77 WeakPolarHBondContact OG1-CG 3.35Å; T75-K77 PolarHBondContact OG1-NZ 3.25Å; T75-L325 HydrophobicContact CG2-CD1 4.47Å
76	N	93.8	Very high	93.2	Very high	58 Å²	58	50.4 Å²	50.4	31%	0.31	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	51.9	179.4	-168.9	99.6	0	0	0	112.1	Q66 D72 I73 R258	Q66-N76 PolarHBondContact NE2-O 2.78Å; D72-N76 VanDerWaalsContact O-CA 3.3Å; D72-N76 WeakPolarHBondContact O-CA 3.46Å; D72-N76 PolarHBondContact O-N 2.83Å; I73-N76 WeakPolarHBondContact O-CA 3.44Å; I73-N76 PolarHBondContact O-N 3.29Å; N76-R258 VanDerWaalsContact CG-NE 3.33Å; N76-R258 PolarHBondContact ND2-NH2 2.73Å; N76-R258 PolarHBondContact OD1-NE 3.19Å; N76-R258 PolarHBondContact OD1-NH2 2.85Å
77	K	95	Very high	93.4	Very high	24 Å²	24	52.4 Å²	52.4	10%	0.104	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-63.7	147.8	172.4	-68.1	-179.6	-169	111.3	0	109.3	Q66 Y68 I71 D72 T75 I91	Q66-K77 HydrophobicContact CB-CG 4.18Å; Q66-K77 HydrophobicContact CG-CG 3.98Å; Q66-K77 WeakPolarHBondContact O-CE 3.18Å; Y68-K77 WeakPolarHBondContact O-CE 3.23Å; Y68-K77 PolarHBondContact O-NZ 3.14Å; I71-K77 PolarHBondContact O-NZ 3.14Å; D72-K77 HydrophobicContact CB-CB 4.43Å; D72-K77 HydrophobicContact CB-CD 4.31Å; D72-K77 PolarHBondContact O-N 2.78Å; D72-K77 VanDerWaalsContact OD1-CD 3.29Å; D72-K77 WeakPolarHBondContact OD1-CD 3.38Å; D72-K77 WeakPolarHBondContact OD1-CE 3.5Å; D72-K77 IonicContact OD1-NZ 2.63Å; D72-K77 PolarHBondContact OD1-NZ 3.15Å; T75-K77 VanDerWaalsContact C-N 3.31Å; T75-K77 PolarHBondContact O-N 2.95Å; T75-K77 WeakPolarHBondContact OG1-CE 3.27Å; T75-K77 WeakPolarHBondContact OG1-CG 3.35Å; T75-K77 PolarHBondContact OG1-NZ 3.25Å; K77-I91 HydrophobicContact CD-CG2 3.65Å; K77-I91 HydrophobicContact CG-CG2 4.1Å
78	I	95.3	Very high	93.6	Very high	28 Å²	28	54.3 Å²	54.3	14%	0.144	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-66.8	135.4	172.3	-171.8	169.7	0	0	0	109	V49 E82 I91	V49-I78 HydrophobicContact CG2-CD1 3.61Å; I78-E82 HydrophobicContact CD1-CB 3.93Å; I78-E82 HydrophobicContact CG1-CB 3.51Å; I78-I91 HydrophobicContact CG2-CD1 4.11Å
79	S	93.9	Very high	94	Very high	52 Å²	52	55.5 Å²	55.5	36%	0.364	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-76	156.8	176.8	65.2	0	0	0	0	111.6	V81 E82 C83	S79-V81 PolarHBondContact O-N 3.11Å; S79-V81 VanDerWaalsContact O-N 3.16Å; S79-E82 WeakPolarHBondContact CB-OE2 3.44Å; S79-E82 PolarHBondContact N-OE2 3.44Å; S79-E82 PolarHBondContact O-N 3.43Å; S79-E82 WeakPolarHBondContact OG-CB 3.47Å; S79-E82 VanDerWaalsContact OG-CD 3.3Å; S79-E82 VanDerWaalsContact OG-CG 3.22Å; S79-E82 WeakPolarHBondContact OG-CG 3.35Å; S79-E82 PolarHBondContact OG-N 3.2Å; S79-E82 PolarHBondContact OG-OE2 2.86Å; S79-C83 PolarHBondContact O-N 3.05Å; S79-C83 PolarHBondContact O-SG 3.35Å
80	H	93.3	Very high	94.3	Very high	181 Å²	181	54.3 Å²	54.3	84%	0.838	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-33.4	175.3	-71.8	-70.2	0	0	0	113.3	C83	H80-C83 WeakPolarHBondContact O-CB 3.44Å; H80-C83 PolarHBondContact O-N 3.13Å
81	V	95.5	Very high	94.8	Very high	123 Å²	123	54.1 Å²	54.1	75%	0.745	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-45.3	176.8	179.7	0	0	0	0	110.6	S79 C83 L84	S79-V81 PolarHBondContact O-N 3.11Å; S79-V81 VanDerWaalsContact O-N 3.16Å; V81-C83 VanDerWaalsContact C-N 3.27Å; V81-C83 PolarHBondContact O-N 3.46Å; V81-L84 WeakPolarHBondContact O-CD2 3.29Å; V81-L84 PolarHBondContact O-N 2.9Å
82	E	95.2	Very high	95.1	Very high	108 Å²	108	55.4 Å²	55.4	51%	0.505	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-22.8	178.8	-70.3	167.8	134.1	0	0	113.1	I78 S79 L84	I78-E82 HydrophobicContact CD1-CB 3.93Å; I78-E82 HydrophobicContact CG1-CB 3.51Å; S79-E82 WeakPolarHBondContact CB-OE2 3.44Å; S79-E82 PolarHBondContact N-OE2 3.44Å; S79-E82 PolarHBondContact O-N 3.43Å; S79-E82 WeakPolarHBondContact OG-CB 3.47Å; S79-E82 VanDerWaalsContact OG-CD 3.3Å; S79-E82 VanDerWaalsContact OG-CG 3.22Å; S79-E82 WeakPolarHBondContact OG-CG 3.35Å; S79-E82 PolarHBondContact OG-N 3.2Å; S79-E82 PolarHBondContact OG-OE2 2.86Å; E82-L84 PolarHBondContact O-N 3.44Å
83	C	95.6	Very high	95.1	Very high	13 Å²	13	54.7 Å²	54.7	9%	0.088	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-23	173.7	-67.3	0	0	0	0	112.9	S79 H80 V81 G85 V86 H88	S79-C83 PolarHBondContact O-N 3.05Å; S79-C83 PolarHBondContact O-SG 3.35Å; H80-C83 WeakPolarHBondContact O-CB 3.44Å; H80-C83 PolarHBondContact O-N 3.13Å; V81-C83 VanDerWaalsContact C-N 3.27Å; V81-C83 PolarHBondContact O-N 3.46Å; C83-G85 PolarHBondContact O-N 3.34Å; C83-G85 VanDerWaalsContact O-N 3.11Å; C83-V86 VanDerWaalsContact O-CB 3.24Å; C83-V86 WeakPolarHBondContact O-CB 3.09Å; C83-V86 WeakPolarHBondContact O-CG2 3.17Å; C83-V86 PolarHBondContact O-N 3.17Å; C83-H88 VanDerWaalsContact SG-CE1 3.52Å
84	L	95.4	Very high	94.8	Very high	111 Å²	111	53.5 Å²	53.5	58%	0.581	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	36.1	-179.5	-59.4	176.1	0	0	0	113.6	V49 V81 E82 V86	V49-L84 HydrophobicContact CG1-CB 4.04Å; V49-L84 HydrophobicContact CG1-CD1 3.93Å; V49-L84 HydrophobicContact CG1-CG 4.19Å; V81-L84 WeakPolarHBondContact O-CD2 3.29Å; V81-L84 PolarHBondContact O-N 2.9Å; E82-L84 PolarHBondContact O-N 3.44Å; L84-V86 PolarHBondContact O-N 3.3Å
85	G	95.7	Very high	94.5	Very high	74 Å²	74	55 Å²	55	76%	0.763	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	-2.7	-178.2	0	0	0	0	0	115.6	C83 P87	C83-G85 PolarHBondContact O-N 3.34Å; C83-G85 VanDerWaalsContact O-N 3.11Å; G85-P87 WeakPolarHBondContact O-CD 3.37Å
86	V	97.2	Very high	93.8	Very high	10 Å²	10	55.8 Å²	55.8	6%	0.061	32%	0.322	C	S	.	.			trans	-66.4	127.6	175.5	174.7	0	0	0	0	110	V49 A52 N53 V59 C83 L84 H88	V49-V86 HydrophobicContact CG1-CG2 4.02Å; A52-V86 HydrophobicContact CB-CB 4.32Å; A52-V86 HydrophobicContact CB-CG1 3.41Å; A52-V86 VanDerWaalsContact CB-CG1 3.41Å; A52-V86 HydrophobicContact CB-CG2 3.88Å; N53-V86 WeakPolarHBondContact OD1-CG2 3.41Å; V59-V86 HydrophobicContact CB-CG1 4.48Å; V59-V86 HydrophobicContact CG2-CG1 3.75Å; C83-V86 VanDerWaalsContact O-CB 3.24Å; C83-V86 WeakPolarHBondContact O-CB 3.09Å; C83-V86 WeakPolarHBondContact O-CG2 3.17Å; C83-V86 PolarHBondContact O-N 3.17Å; L84-V86 PolarHBondContact O-N 3.3Å; V86-H88 PolarHBondContact O-N 3.04Å; V86-H88 PolarHBondContact O-ND1 3.4Å
87	P	97.9	Very high	92.8	Very high	61 Å²	61	58.4 Å²	58.4	40%	0.396	33%	0.332	S	S	.	.			trans	-60.2	128	173.3	-24.2	34.8	0	0	0	111.7	E58 V59 G85	E58-P87 HydrophobicContact CB-CB 4.41Å; E58-P87 HydrophobicContact CG-CB 4.06Å; E58-P87 HydrophobicContact CG-CG 4.12Å; V59-P87 PolarHBondContact N-O 3.11Å; G85-P87 WeakPolarHBondContact O-CD 3.37Å
88	H	98.1	Very high	91.7	Very high	44 Å²	44	60.5 Å²	60.5	20%	0.204	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133.5	175	-74.4	68.5	0	0	0	110.1	V59 C83 V86 I91	V59-H88 VanDerWaalsContact CG1-CD2 3.49Å; V59-H88 WeakPolarHBondContact CG1-CD2 3.34Å; V59-H88 CarbonylContact O-C 3.57Å; V59-H88 WeakPolarHBondContact O-CA 3.33Å; C83-H88 VanDerWaalsContact SG-CE1 3.52Å; V86-H88 PolarHBondContact O-N 3.04Å; V86-H88 PolarHBondContact O-ND1 3.4Å; H88-I91 HydrophobicContact CB-CD1 3.97Å
89	H	98.2	Very high	90.4	Very high	34 Å²	34	59.3 Å²	59.3	16%	0.157	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	156.4	-178.4	-57.7	-82.2	0	0	0	111.8	E58 V59 V60 N61 I91 L114	E58-H89 IonicContact OE2-CD2 2.76Å; E58-H89 IonicContact OE2-CE1 2.67Å; E58-H89 PolarHBondContact OE2-CE1 3.32Å; E58-H89 IonicContact OE2-NE2 2.77Å; E58-H89 PolarHBondContact OE2-NE2 2.8Å; V59-H89 PolarHBondContact O-CD2 2.74Å; V59-H89 PolarHBondContact O-N 3.39Å; V60-H89 HydrophobicContact CG2-CB 4.42Å; N61-H89 WeakPolarHBondContact CB-O 3.41Å; N61-H89 PolarHBondContact N-O 2.98Å; H89-I91 VanDerWaalsContact C-N 3.3Å; H89-I91 PolarHBondContact O-N 2.8Å; H89-L114 HydrophobicContact CB-CD1 4.47Å; H89-L114 HydrophobicContact CB-CD2 3.48Å; H89-L114 VanDerWaalsContact CB-CD2 3.48Å
90	L	97.2	Very high	89.1	Confident	18 Å²	18	61 Å²	61	9%	0.094	34%	0.338	C	S	.	.	S	Bend	trans	59.2	38.7	176.6	-47.3	-176.7	0	0	0	113.1	V60 N61 L67 I93 Y107 I110 C111 L114	V60-L90 HydrophobicContact CG1-CD1 3.71Å; V60-L90 HydrophobicContact CG1-CG 4.17Å; N61-L90 WeakPolarHBondContact CB-O 3.33Å; N61-L90 PolarHBondContact ND2-O 3.1Å; L67-L90 HydrophobicContact CD2-CB 3.98Å; L67-L90 VanDerWaalsContact CD2-O 3.29Å; L67-L90 WeakPolarHBondContact CD2-O 3.41Å; L90-I93 HydrophobicContact CD2-CD1 4.01Å; L90-Y107 HydrophobicContact CD1-CD2 4.29Å; L90-Y107 HydrophobicContact CD1-CE2 3.56Å; L90-I110 HydrophobicContact CD2-CD1 3.81Å; L90-I110 HydrophobicContact CD2-CG1 4.2Å; L90-C111 HydrophobicContact CD1-CB 3.7Å; L90-L114 HydrophobicContact CD1-CD2 4.05Å; L90-L114 HydrophobicContact CD2-CD2 4.02Å; L90-L114 HydrophobicContact CG-CD2 3.8Å
91	I	95.6	Very high	88.1	Confident	48 Å²	48	59.9 Å²	59.9	25%	0.246	33%	0.326	C	S	.	.	S	Bend	trans	-117	128	171.4	-60.5	-178	0	0	0	107.6	N61 Q66 K77 I78 H88 H89 I93	N61-I91 HydrophobicContact CB-CD1 4.2Å; N61-I91 HydrophobicContact CB-CG1 3.53Å; Q66-I91 CarbonylContact O-C 3.6Å; Q66-I91 WeakPolarHBondContact O-CA 3.33Å; K77-I91 HydrophobicContact CD-CG2 3.65Å; K77-I91 HydrophobicContact CG-CG2 4.1Å; I78-I91 HydrophobicContact CG2-CD1 4.11Å; H88-I91 HydrophobicContact CB-CD1 3.97Å; H89-I91 VanDerWaalsContact C-N 3.3Å; H89-I91 PolarHBondContact O-N 2.8Å; I91-I93 PolarHBondContact O-N 2.94Å
92	G	93.6	Very high	87.3	Confident	28 Å²	28	57.2 Å²	57.2	29%	0.289	30%	0.303	S	S	.	.	S	Bend	trans	63.8	24.3	176	0	0	0	0	0	115.1	Q66 L67 Y94	Q66-G92 PolarHBondContact O-N 3.2Å; L67-G92 CarbonylContact O-C 3.47Å; L67-G92 VanDerWaalsContact O-C 3.31Å; L67-G92 WeakPolarHBondContact O-CA 2.95Å; L67-G92 PolarHBondContact O-N 3.34Å; G92-Y94 VanDerWaalsContact C-N 3.34Å
93	I	92.9	Very high	86.7	Confident	67 Å²	67	55.1 Å²	55.1	34%	0.344	30%	0.296	S	S	.	.			trans	-77.8	-18.2	-175.9	61.7	168.2	0	0	0	113.9	L67 L90 I91 I110	L67-I93 HydrophobicContact CB-CG1 4.46Å; L67-I93 HydrophobicContact CD2-CD1 3.92Å; L67-I93 HydrophobicContact CD2-CG1 4.15Å; L67-I93 PolarHBondContact O-N 3.1Å; L90-I93 HydrophobicContact CD2-CD1 4.01Å; I91-I93 PolarHBondContact O-N 2.94Å; I93-I110 HydrophobicContact CD1-CD1 3.39Å
94	Y	88.7	Confident	86.3	Confident	20 Å²	20	55 Å²	55	8%	0.078	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-114.3	128.2	-177.5	-62.6	-41.2	0	0	0	111.6	L67 Y68 S69 G92 Y102 I110	L67-Y94 HydrophobicContact CB-CD2 3.88Å; L67-Y94 HydrophobicContact CB-CE2 4.33Å; L67-Y94 HydrophobicContact CD1-CE2 4.31Å; L67-Y94 PolarHBondContact O-N 3.5Å; Y68-Y94 CarbonylContact C-O 3.47Å; Y68-Y94 VanDerWaalsContact CA-O 3.25Å; Y68-Y94 WeakPolarHBondContact CA-O 3.24Å; Y68-Y94 HydrophobicContact CE1-CD2 4.45Å; S69-Y94 PolarHBondContact N-O 2.97Å; S69-Y94 PolarHBondContact OG-O 3.32Å; G92-Y94 VanDerWaalsContact C-N 3.34Å; Y94-Y102 AromaticContact CD1-CD1 3.95Å; Y94-Y102 HydrophobicContact CD1-CD1 3.95Å; Y94-Y102 AromaticContact CD1-CD2 3.69Å; Y94-Y102 HydrophobicContact CD1-CD2 3.69Å; Y94-Y102 AromaticContact CD1-CE1 3.57Å; Y94-Y102 HydrophobicContact CD1-CE1 3.57Å; Y94-Y102 AromaticContact CD1-CE2 3.28Å; Y94-Y102 HydrophobicContact CD1-CE2 3.28Å; Y94-Y102 AromaticContact CD1-CG 3.99Å; Y94-Y102 HydrophobicContact CD1-CG 3.99Å; Y94-Y102 AromaticContact CD1-CZ 3.2Å; Y94-Y102 HydrophobicContact CD2-CD1 4.27Å; Y94-Y102 AromaticContact CD2-CD2 3.58Å; Y94-Y102 HydrophobicContact CD2-CD2 3.58Å; Y94-Y102 HydrophobicContact CD2-CE2 4.05Å; Y94-Y102 AromaticContact CD2-CG 3.69Å; Y94-Y102 HydrophobicContact CD2-CG 3.69Å; Y94-Y102 AromaticContact CE1-CD1 3.42Å; Y94-Y102 HydrophobicContact CE1-CD1 3.42Å; Y94-Y102 VanDerWaalsContact CE1-CD1 3.42Å; Y94-Y102 HydrophobicContact CE1-CD2 4.04Å; Y94-Y102 AromaticContact CE1-CE1 3.16Å; Y94-Y102 HydrophobicContact CE1-CE1 3.16Å; Y94-Y102 AromaticContact CE1-CE2 3.82Å; Y94-Y102 HydrophobicContact CE1-CE2 3.82Å; Y94-Y102 AromaticContact CE1-CG 3.84Å; Y94-Y102 HydrophobicContact CE1-CG 3.84Å; Y94-Y102 AromaticContact CE1-CZ 3.37Å; Y94-Y102 AromaticContact CE2-CD1 3.78Å; Y94-Y102 HydrophobicContact CE2-CD1 3.78Å; Y94-Y102 AromaticContact CE2-CD2 3.93Å; Y94-Y102 HydrophobicContact CE2-CD2 3.93Å; Y94-Y102 HydrophobicContact CE2-CE1 4.37Å; Y94-Y102 HydrophobicContact CE2-CE2 4.49Å; Y94-Y102 AromaticContact CE2-CG 3.52Å; Y94-Y102 HydrophobicContact CE2-CG 3.52Å; Y94-Y102 HydrophobicContact CG-CD1 4.34Å; Y94-Y102 AromaticContact CG-CD2 3.45Å; Y94-Y102 HydrophobicContact CG-CD2 3.45Å; Y94-Y102 VanDerWaalsContact CG-CD2 3.45Å; Y94-Y102 HydrophobicContact CG-CE1 4.33Å; Y94-Y102 AromaticContact CG-CE2 3.42Å; Y94-Y102 HydrophobicContact CG-CE2 3.42Å; Y94-Y102 VanDerWaalsContact CG-CE2 3.42Å; Y94-Y102 AromaticContact CG-CG 3.92Å; Y94-Y102 HydrophobicContact CG-CG 3.92Å; Y94-Y102 AromaticContact CG-CZ 3.88Å; Y94-Y102 AromaticContact CZ-CD1 3.3Å; Y94-Y102 AromaticContact CZ-CE1 3.61Å; Y94-Y102 AromaticContact CZ-CG 3.58Å; Y94-I110 WeakPolarHBondContact OH-CD1 3.48Å
95	P	84.2	Confident	85.9	Confident	43 Å²	43	52.4 Å²	52.4	28%	0.279	28%	0.28	S	S	.	.			trans	-62.1	138.3	165.9	-19.7	32.2	0	0	0	110.5	E97 F98	P95-E97 HydrophobicContact CB-CG 4.11Å; P95-E97 WeakPolarHBondContact CB-OE1 3.44Å; P95-E97 WeakPolarHBondContact CB-OE2 3.01Å; P95-E97 PolarHBondContact O-N 3.48Å; P95-F98 HydrophobicContact CB-CD2 3.88Å; P95-F98 HydrophobicContact CB-CE2 4.3Å; P95-F98 HydrophobicContact CG-CD2 3.91Å; P95-F98 HydrophobicContact CG-CE2 4.26Å; P95-F98 PolarHBondContact O-N 2.92Å; P95-F98 VanDerWaalsContact O-N 3.16Å
96	P	77.8	Confident	85.5	Confident	26 Å²	26	50.6 Å²	50.6	17%	0.169	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-53.9	-35.8	-179	-30.6	37.2	0	0	0	115.8	S69 F98 G99 F274 L325	S69-P96 VanDerWaalsContact O-CG 3.27Å; S69-P96 WeakPolarHBondContact O-CG 3.27Å; P96-F98 PolarHBondContact O-N 2.95Å; P96-G99 PolarHBondContact O-N 3.01Å; P96-F274 HydrophobicContact CB-CE2 3.56Å; P96-F274 HydrophobicContact CB-CZ 4.27Å; P96-F274 HydrophobicContact CG-CD2 4.47Å; P96-F274 HydrophobicContact CG-CE2 3.87Å; P96-L325 HydrophobicContact CB-CD2 3.66Å; P96-L325 HydrophobicContact CG-CD2 3.86Å
97	E	72.8	Confident	85.3	Confident	114 Å²	114	50.1 Å²	50.1	53%	0.533	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-59.7	-25.9	-179.2	60.2	-90.5	-148.7	0	0	112.9	P95 H100	P95-E97 HydrophobicContact CB-CG 4.11Å; P95-E97 WeakPolarHBondContact CB-OE1 3.44Å; P95-E97 WeakPolarHBondContact CB-OE2 3.01Å; P95-E97 PolarHBondContact O-N 3.48Å; E97-H100 PolarHBondContact O-CE1 2.97Å; E97-H100 PolarHBondContact O-ND1 3.15Å
98	F	71.2	Confident	85.1	Confident	68 Å²	68	49.9 Å²	49.9	30%	0.298	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-98.3	8.7	178.8	-58.7	-57.2	0	0	0	113.3	P95 P96 H100 R101 Y102	P95-F98 HydrophobicContact CB-CD2 3.88Å; P95-F98 HydrophobicContact CB-CE2 4.3Å; P95-F98 HydrophobicContact CG-CD2 3.91Å; P95-F98 HydrophobicContact CG-CE2 4.26Å; P95-F98 PolarHBondContact O-N 2.92Å; P95-F98 VanDerWaalsContact O-N 3.16Å; P96-F98 PolarHBondContact O-N 2.95Å; F98-H100 PolarHBondContact O-N 3.31Å; F98-R101 WeakPolarHBondContact O-CB 3.4Å; F98-R101 PolarHBondContact O-N 3.49Å; F98-Y102 HydrophobicContact CB-CE2 3.68Å; F98-Y102 WeakPolarHBondContact O-CD2 2.92Å; F98-Y102 WeakPolarHBondContact O-CE2 3.35Å
99	G	68.3	Low	84.9	Confident	3 Å²	3	52.9 Å²	52.9	3%	0.031	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.5	-174.3	0	0	0	0	0	115.9	Y68 P96 R101	Y68-G99 VanDerWaalsContact CE1-CA 3.4Å; Y68-G99 PolarHBondContact OH-O 3.11Å; P96-G99 PolarHBondContact O-N 3.01Å; G99-R101 VanDerWaalsContact C-N 3.28Å; G99-R101 PolarHBondContact O-N 3.07Å
100	H	66.8	Low	84.8	Confident	86 Å²	86	54.4 Å²	54.4	40%	0.398	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-16.1	174	61.4	-85.6	0	0	0	114.2	E97 F98 R323	E97-H100 PolarHBondContact O-CE1 2.97Å; E97-H100 PolarHBondContact O-ND1 3.15Å; F98-H100 PolarHBondContact O-N 3.31Å; H100-R323 HydrophobicContact CB-CB 4.29Å; H100-R323 VanDerWaalsContact O-CD 3.32Å; H100-R323 WeakPolarHBondContact O-CD 3.45Å; H100-R323 PolarHBondContact O-NH1 3.22Å; H100-R323 VanDerWaalsContact O-NH1 3.09Å
101	R	72.8	Confident	84.8	Confident	158 Å²	158	53.5 Å²	53.5	60%	0.596	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-19.8	-174.9	-57.8	-171.4	178.1	-177.7	-2.8	114.4	F98 G99	F98-R101 WeakPolarHBondContact O-CB 3.4Å; F98-R101 PolarHBondContact O-N 3.49Å; G99-R101 VanDerWaalsContact C-N 3.28Å; G99-R101 PolarHBondContact O-N 3.07Å
102	Y	78.2	Confident	84.8	Confident	67 Å²	67	52.6 Å²	52.6	26%	0.263	26%	0.26	S	S	.	.			trans	-104.1	135	-174.3	-54.2	-68.7	0	0	0	111.4	Y94 F98	Y94-Y102 AromaticContact CD1-CD1 3.95Å; Y94-Y102 HydrophobicContact CD1-CD1 3.95Å; Y94-Y102 AromaticContact CD1-CD2 3.69Å; Y94-Y102 HydrophobicContact CD1-CD2 3.69Å; Y94-Y102 AromaticContact CD1-CE1 3.57Å; Y94-Y102 HydrophobicContact CD1-CE1 3.57Å; Y94-Y102 AromaticContact CD1-CE2 3.28Å; Y94-Y102 HydrophobicContact CD1-CE2 3.28Å; Y94-Y102 AromaticContact CD1-CG 3.99Å; Y94-Y102 HydrophobicContact CD1-CG 3.99Å; Y94-Y102 AromaticContact CD1-CZ 3.2Å; Y94-Y102 HydrophobicContact CD2-CD1 4.27Å; Y94-Y102 AromaticContact CD2-CD2 3.58Å; Y94-Y102 HydrophobicContact CD2-CD2 3.58Å; Y94-Y102 HydrophobicContact CD2-CE2 4.05Å; Y94-Y102 AromaticContact CD2-CG 3.69Å; Y94-Y102 HydrophobicContact CD2-CG 3.69Å; Y94-Y102 AromaticContact CE1-CD1 3.42Å; Y94-Y102 HydrophobicContact CE1-CD1 3.42Å; Y94-Y102 VanDerWaalsContact CE1-CD1 3.42Å; Y94-Y102 HydrophobicContact CE1-CD2 4.04Å; Y94-Y102 AromaticContact CE1-CE1 3.16Å; Y94-Y102 HydrophobicContact CE1-CE1 3.16Å; Y94-Y102 AromaticContact CE1-CE2 3.82Å; Y94-Y102 HydrophobicContact CE1-CE2 3.82Å; Y94-Y102 AromaticContact CE1-CG 3.84Å; Y94-Y102 HydrophobicContact CE1-CG 3.84Å; Y94-Y102 AromaticContact CE1-CZ 3.37Å; Y94-Y102 AromaticContact CE2-CD1 3.78Å; Y94-Y102 HydrophobicContact CE2-CD1 3.78Å; Y94-Y102 AromaticContact CE2-CD2 3.93Å; Y94-Y102 HydrophobicContact CE2-CD2 3.93Å; Y94-Y102 HydrophobicContact CE2-CE1 4.37Å; Y94-Y102 HydrophobicContact CE2-CE2 4.49Å; Y94-Y102 AromaticContact CE2-CG 3.52Å; Y94-Y102 HydrophobicContact CE2-CG 3.52Å; Y94-Y102 HydrophobicContact CG-CD1 4.34Å; Y94-Y102 AromaticContact CG-CD2 3.45Å; Y94-Y102 HydrophobicContact CG-CD2 3.45Å; Y94-Y102 VanDerWaalsContact CG-CD2 3.45Å; Y94-Y102 HydrophobicContact CG-CE1 4.33Å; Y94-Y102 AromaticContact CG-CE2 3.42Å; Y94-Y102 HydrophobicContact CG-CE2 3.42Å; Y94-Y102 VanDerWaalsContact CG-CE2 3.42Å; Y94-Y102 AromaticContact CG-CG 3.92Å; Y94-Y102 HydrophobicContact CG-CG 3.92Å; Y94-Y102 AromaticContact CG-CZ 3.88Å; Y94-Y102 AromaticContact CZ-CD1 3.3Å; Y94-Y102 AromaticContact CZ-CE1 3.61Å; Y94-Y102 AromaticContact CZ-CG 3.58Å; F98-Y102 HydrophobicContact CB-CE2 3.68Å; F98-Y102 WeakPolarHBondContact O-CD2 2.92Å; F98-Y102 WeakPolarHBondContact O-CE2 3.35Å
103	D	83	Confident	85	Confident	64 Å²	64	55.1 Å²	55.1	34%	0.342	27%	0.271	S	S	.	.			trans	-135.4	-167.5	176	71.4	10.7	0	0	0	111.6	H105 S106 Y107	D103-H105 VanDerWaalsContact C-N 3.26Å; D103-H105 PolarHBondContact O-N 3.17Å; D103-H105 WeakPolarHBondContact OD1-CA 3.29Å; D103-H105 VanDerWaalsContact OD1-CB 3.29Å; D103-H105 WeakPolarHBondContact OD1-CB 3.26Å; D103-H105 IonicContact OD1-CD2 3.55Å; D103-H105 IonicContact OD1-CG 3.28Å; D103-H105 PolarHBondContact OD1-N 3.26Å; D103-H105 IonicContact OD2-CD2 2.78Å; D103-S106 PolarHBondContact N-OG 2.97Å; D103-S106 PolarHBondContact O-N 3.06Å; D103-S106 PolarHBondContact OD1-N 3.15Å; D103-S106 PolarHBondContact OD1-OG 3.41Å; D103-Y107 PolarHBondContact O-N 3.08Å
104	V	86.9	Confident	85.3	Confident	10 Å²	10	53.1 Å²	53.1	6%	0.061	26%	0.262	C	S	.	.	H	α-helix	trans	-64.8	-28.5	179.1	64.5	0	0	0	0	113.1	R108 Y134 Y135 A138 F144 L145	V104-R108 WeakPolarHBondContact O-CB 3.33Å; V104-R108 PolarHBondContact O-N 2.95Å; V104-Y134 HydrophobicContact CB-CD1 4.36Å; V104-Y134 HydrophobicContact CB-CE1 3.8Å; V104-Y134 HydrophobicContact CG1-CE1 3.77Å; V104-Y134 HydrophobicContact CG2-CD1 4.13Å; V104-Y134 HydrophobicContact CG2-CE1 3.82Å; V104-Y135 HydrophobicContact CB-CD1 4.09Å; V104-Y135 HydrophobicContact CB-CE1 3.77Å; V104-Y135 HydrophobicContact CG2-CD1 3.82Å; V104-Y135 HydrophobicContact CG2-CE1 4.04Å; V104-Y135 HydrophobicContact CG2-CG 4.35Å; V104-A138 HydrophobicContact CG2-CB 3.68Å; V104-F144 HydrophobicContact CG2-CE1 4.09Å; V104-L145 HydrophobicContact CB-CD1 4.44Å; V104-L145 HydrophobicContact CG1-CD1 3.4Å; V104-L145 HydrophobicContact CG2-CD1 4.2Å
105	H	86.5	Confident	85.7	Confident	58 Å²	58	52.2 Å²	52.2	27%	0.269	26%	0.258	S	S	.	.	H	α-helix	trans	-72.5	-49.1	176.6	-63.6	-87.7	0	0	0	109.6	D103 Y107 R108 D109	D103-H105 VanDerWaalsContact C-N 3.26Å; D103-H105 PolarHBondContact O-N 3.17Å; D103-H105 WeakPolarHBondContact OD1-CA 3.29Å; D103-H105 VanDerWaalsContact OD1-CB 3.29Å; D103-H105 WeakPolarHBondContact OD1-CB 3.26Å; D103-H105 IonicContact OD1-CD2 3.55Å; D103-H105 IonicContact OD1-CG 3.28Å; D103-H105 PolarHBondContact OD1-N 3.26Å; D103-H105 IonicContact OD2-CD2 2.78Å; H105-Y107 VanDerWaalsContact C-N 3.26Å; H105-Y107 PolarHBondContact O-N 3.12Å; H105-R108 WeakPolarHBondContact O-CB 3.47Å; H105-R108 PolarHBondContact O-N 3.45Å; H105-D109 VanDerWaalsContact O-CG 3.23Å; H105-D109 PolarHBondContact O-N 2.94Å
106	S	88.9	Confident	86.2	Confident	35 Å²	35	52.7 Å²	52.7	25%	0.245	26%	0.257	C	S	.	.	H	α-helix	trans	-56.6	-41.7	175.1	-43.8	0	0	0	0	112	D103 D109 I110	D103-S106 PolarHBondContact N-OG 2.97Å; D103-S106 PolarHBondContact O-N 3.06Å; D103-S106 PolarHBondContact OD1-N 3.15Å; D103-S106 PolarHBondContact OD1-OG 3.41Å; S106-D109 PolarHBondContact O-N 3.5Å; S106-I110 PolarHBondContact O-N 2.81Å
107	Y	93	Very high	87.1	Confident	1 Å²	1	53.8 Å²	53.8	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-62.4	-46.2	174.9	173.9	-99.7	0	0	0	112.2	N61 F62 L67 L90 D103 H105 D109 I110 C111 Y135 I139	N61-Y107 WeakPolarHBondContact O-CE2 3.48Å; N61-Y107 PolarHBondContact O-OH 3.4Å; F62-Y107 VanDerWaalsContact CA-OH 3.3Å; F62-Y107 WeakPolarHBondContact CA-OH 3.34Å; F62-Y107 HydrophobicContact CB-CE1 4.37Å; F62-Y107 WeakPolarHBondContact CB-OH 3.34Å; L67-Y107 HydrophobicContact CD1-CD2 3.96Å; L67-Y107 HydrophobicContact CD2-CD2 3.94Å; L67-Y107 HydrophobicContact CD2-CE2 4.1Å; L90-Y107 HydrophobicContact CD1-CD2 4.29Å; L90-Y107 HydrophobicContact CD1-CE2 3.56Å; D103-Y107 PolarHBondContact O-N 3.08Å; H105-Y107 VanDerWaalsContact C-N 3.26Å; H105-Y107 PolarHBondContact O-N 3.12Å; Y107-D109 VanDerWaalsContact C-N 3.33Å; Y107-D109 PolarHBondContact O-N 3.24Å; Y107-I110 VanDerWaalsContact O-CG1 3.28Å; Y107-I110 WeakPolarHBondContact O-CG1 3.41Å; Y107-I110 PolarHBondContact O-N 2.89Å; Y107-C111 HydrophobicContact CD1-CB 4.46Å; Y107-C111 HydrophobicContact CE1-CB 4.08Å; Y107-C111 HydrophobicContact CE2-CB 4.27Å; Y107-C111 WeakPolarHBondContact O-CB 3.47Å; Y107-C111 PolarHBondContact O-N 3.09Å; Y107-C111 PolarHBondContact OH-SG 3.05Å; Y107-C111 VanDerWaalsContact OH-SG 3.4Å; Y107-Y135 AromaticContact CD1-CD2 3.48Å; Y107-Y135 HydrophobicContact CD1-CD2 3.48Å; Y107-Y135 VanDerWaalsContact CD1-CD2 3.48Å; Y107-Y135 HydrophobicContact CD1-CE2 4.24Å; Y107-Y135 HydrophobicContact CD1-CG 4.02Å; Y107-Y135 AromaticContact CD2-CD2 3.97Å; Y107-Y135 HydrophobicContact CD2-CD2 3.97Å; Y107-Y135 HydrophobicContact CD2-CE2 4.3Å; Y107-Y135 AromaticContact CE1-CD2 3.98Å; Y107-Y135 HydrophobicContact CE1-CD2 3.98Å; Y107-Y135 HydrophobicContact CE1-CG 4.38Å; Y107-Y135 HydrophobicContact CE2-CD2 4.41Å; Y107-Y135 AromaticContact CG-CD2 3.49Å; Y107-Y135 HydrophobicContact CG-CD2 3.49Å; Y107-Y135 VanDerWaalsContact CG-CD2 3.49Å; Y107-Y135 AromaticContact CG-CE2 3.83Å; Y107-Y135 HydrophobicContact CG-CE2 3.83Å; Y107-Y135 HydrophobicContact CG-CG 4.44Å; Y107-I139 HydrophobicContact CD1-CD1 4.18Å; Y107-I139 HydrophobicContact CD1-CG1 4.43Å; Y107-I139 HydrophobicContact CE1-CD1 3.78Å; Y107-I139 HydrophobicContact CE1-CG1 3.66Å
108	R	93.8	Very high	88.2	Confident	55 Å²	55	48.3 Å²	48.3	21%	0.208	24%	0.235	C	C	.	.	H	α-helix	trans	-59.3	-44.7	178	176.6	-176.9	162.3	-164.2	-7.2	111.5	V104 H105 I110 C111 L112 I139 F144	V104-R108 WeakPolarHBondContact O-CB 3.33Å; V104-R108 PolarHBondContact O-N 2.95Å; H105-R108 WeakPolarHBondContact O-CB 3.47Å; H105-R108 PolarHBondContact O-N 3.45Å; R108-I110 VanDerWaalsContact C-N 3.29Å; R108-I110 PolarHBondContact O-N 3.2Å; R108-C111 PolarHBondContact O-N 3.31Å; R108-L112 HydrophobicContact CG-CD1 3.6Å; R108-L112 HydrophobicContact CG-CG 4.03Å; R108-L112 WeakPolarHBondContact O-CG 3.48Å; R108-L112 PolarHBondContact O-N 2.96Å; R108-I139 HydrophobicContact CB-CD1 4.34Å; R108-I139 HydrophobicContact CG-CD1 4.38Å; R108-F144 PolarHBondContact NH1-O 3.35Å
109	D	93	Very high	89.1	Confident	108 Å²	108	45.4 Å²	45.4	58%	0.578	22%	0.222	S	C	*	.	H	α-helix	trans	-64.4	-32.3	-175.2	-66.3	-19.7	0	0	0	112.8	H105 S106 Y107 P113	H105-D109 VanDerWaalsContact O-CG 3.23Å; H105-D109 PolarHBondContact O-N 2.94Å; S106-D109 PolarHBondContact O-N 3.5Å; Y107-D109 VanDerWaalsContact C-N 3.33Å; Y107-D109 PolarHBondContact O-N 3.24Å; D109-P113 WeakPolarHBondContact O-CD 3.44Å; D109-P113 VanDerWaalsContact O-CG 3.26Å; D109-P113 WeakPolarHBondContact O-CG 3.2Å
110	I	95.5	Very high	90.2	Very high	65 Å²	65	47.6 Å²	47.6	33%	0.333	23%	0.233	S	C	.	.	H	α-helix	trans	-88.7	-31	175.2	67	175	0	0	0	113	L90 I93 Y94 S106 Y107 R108 L114	L90-I110 HydrophobicContact CD2-CD1 3.81Å; L90-I110 HydrophobicContact CD2-CG1 4.2Å; I93-I110 HydrophobicContact CD1-CD1 3.39Å; Y94-I110 WeakPolarHBondContact OH-CD1 3.48Å; S106-I110 PolarHBondContact O-N 2.81Å; Y107-I110 VanDerWaalsContact O-CG1 3.28Å; Y107-I110 WeakPolarHBondContact O-CG1 3.41Å; Y107-I110 PolarHBondContact O-N 2.89Å; R108-I110 VanDerWaalsContact C-N 3.29Å; R108-I110 PolarHBondContact O-N 3.2Å; I110-L114 WeakPolarHBondContact O-CB 2.81Å
111	C	97.5	Very high	91.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-78	-39.1	-173.8	-175.4	0	0	0	0	112.2	L90 Y107 R108 L114 I115 I139	L90-C111 HydrophobicContact CD1-CB 3.7Å; Y107-C111 HydrophobicContact CD1-CB 4.46Å; Y107-C111 HydrophobicContact CE1-CB 4.08Å; Y107-C111 HydrophobicContact CE2-CB 4.27Å; Y107-C111 WeakPolarHBondContact O-CB 3.47Å; Y107-C111 PolarHBondContact O-N 3.09Å; Y107-C111 PolarHBondContact OH-SG 3.05Å; Y107-C111 VanDerWaalsContact OH-SG 3.4Å; R108-C111 PolarHBondContact O-N 3.31Å; C111-L114 WeakPolarHBondContact O-CB 3.22Å; C111-L114 PolarHBondContact O-N 3.08Å; C111-I115 WeakPolarHBondContact O-CG1 3.21Å; C111-I115 PolarHBondContact O-N 3.27Å; C111-I139 HydrophobicContact CB-CD1 3.66Å
112	L	96.5	Very high	92.3	Very high	28 Å²	28	47.2 Å²	47.2	15%	0.147	24%	0.236	C	C	.	.	H	α-helix	trans	-63.2	-50.7	-179.7	-67.7	178.7	0	0	0	112.9	R108 L114 I115 E116 I139 R234	R108-L112 HydrophobicContact CG-CD1 3.6Å; R108-L112 HydrophobicContact CG-CG 4.03Å; R108-L112 WeakPolarHBondContact O-CG 3.48Å; R108-L112 PolarHBondContact O-N 2.96Å; L112-L114 PolarHBondContact O-N 2.77Å; L112-I115 PolarHBondContact O-N 3.42Å; L112-E116 WeakPolarHBondContact O-CG 3.27Å; L112-E116 PolarHBondContact O-N 2.84Å; L112-I139 HydrophobicContact CD2-CD1 4.12Å; L112-I139 HydrophobicContact CD2-CG2 4.11Å; L112-I139 HydrophobicContact CG-CD1 4.27Å; L112-R234 VanDerWaalsContact CD2-CD 3.42Å
113	P	97.4	Very high	92.8	Very high	81 Å²	81	49.8 Å²	49.8	53%	0.526	25%	0.249	S	C	.	.	H	α-helix	trans	-60.1	-34.3	176	-23.4	35	0	0	0	112.9	D109 E116 N117	D109-P113 WeakPolarHBondContact O-CD 3.44Å; D109-P113 VanDerWaalsContact O-CG 3.26Å; D109-P113 WeakPolarHBondContact O-CG 3.2Å; P113-E116 PolarHBondContact O-N 2.94Å; P113-N117 WeakPolarHBondContact O-CB 3.31Å; P113-N117 PolarHBondContact O-N 2.62Å
114	L	98.1	Very high	93.3	Very high	26 Å²	26	51 Å²	51	14%	0.136	25%	0.251	C	S	.	.	H	α-helix	trans	-63.6	-48.3	175.6	172.2	67.8	0	0	0	111.7	V60 H89 L90 I110 C111 L112 E116 N117 I118	V60-L114 HydrophobicContact CG1-CD2 3.94Å; V60-L114 HydrophobicContact CG2-CD2 4.16Å; H89-L114 HydrophobicContact CB-CD1 4.47Å; H89-L114 HydrophobicContact CB-CD2 3.48Å; H89-L114 VanDerWaalsContact CB-CD2 3.48Å; L90-L114 HydrophobicContact CD1-CD2 4.05Å; L90-L114 HydrophobicContact CD2-CD2 4.02Å; L90-L114 HydrophobicContact CG-CD2 3.8Å; I110-L114 WeakPolarHBondContact O-CB 2.81Å; C111-L114 WeakPolarHBondContact O-CB 3.22Å; C111-L114 PolarHBondContact O-N 3.08Å; L112-L114 PolarHBondContact O-N 2.77Å; L114-E116 VanDerWaalsContact C-N 3.31Å; L114-E116 PolarHBondContact O-N 2.72Å; L114-N117 WeakPolarHBondContact O-CB 3.08Å; L114-N117 PolarHBondContact O-N 2.97Å; L114-I118 HydrophobicContact CD1-CD1 3.95Å; L114-I118 HydrophobicContact CD1-CG1 4.26Å; L114-I118 HydrophobicContact CG-CD1 3.94Å; L114-I118 VanDerWaalsContact O-CG1 3.32Å; L114-I118 WeakPolarHBondContact O-CG1 3.35Å; L114-I118 PolarHBondContact O-N 3.26Å
115	I	97.4	Very high	93.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-59.5	-44.8	177.2	-69.3	166	0	0	0	110.2	V33 C111 L112 N117 I118 R119 P126 L128 I139 Y235	V33-I115 HydrophobicContact CG2-CG2 3.92Å; C111-I115 WeakPolarHBondContact O-CG1 3.21Å; C111-I115 PolarHBondContact O-N 3.27Å; L112-I115 PolarHBondContact O-N 3.42Å; I115-N117 VanDerWaalsContact C-N 3.34Å; I115-N117 PolarHBondContact O-N 3.47Å; I115-I118 PolarHBondContact O-N 3.41Å; I115-R119 HydrophobicContact CG2-CG 4.35Å; I115-R119 WeakPolarHBondContact O-CB 3.28Å; I115-R119 VanDerWaalsContact O-CG 3.23Å; I115-R119 WeakPolarHBondContact O-CG 3.48Å; I115-R119 PolarHBondContact O-N 2.84Å; I115-P126 HydrophobicContact CG2-CB 4.32Å; I115-P126 HydrophobicContact CG2-CG 4.26Å; I115-L128 HydrophobicContact CD1-CD1 4.22Å; I115-L128 HydrophobicContact CD1-CD2 3.69Å; I115-L128 HydrophobicContact CG1-CD2 3.97Å; I115-I139 HydrophobicContact CD1-CG2 3.36Å; I115-Y235 WeakPolarHBondContact CG2-OH 3.45Å
116	E	95.5	Very high	94.2	Very high	54 Å²	54	48 Å²	48	25%	0.252	24%	0.237	S	C	.	.	H	α-helix	trans	-65	-36.5	177.2	-63.5	-46.5	125.8	0	0	112.5	L112 P113 L114 R119 N120 Y235	L112-E116 WeakPolarHBondContact O-CG 3.27Å; L112-E116 PolarHBondContact O-N 2.84Å; P113-E116 PolarHBondContact O-N 2.94Å; L114-E116 VanDerWaalsContact C-N 3.31Å; L114-E116 PolarHBondContact O-N 2.72Å; E116-R119 IonicContact OE1-NH1 3.16Å; E116-R119 PolarHBondContact OE1-NH1 2.89Å; E116-R119 IonicContact OE2-NH1 2.95Å; E116-N120 WeakPolarHBondContact O-CB 3.47Å; E116-N120 PolarHBondContact O-N 3.04Å; E116-N120 PolarHBondContact O-ND2 3.37Å; E116-N120 PolarHBondContact OE2-ND2 3.16Å; E116-Y235 WeakPolarHBondContact OE1-CE1 3.34Å; E116-Y235 PolarHBondContact OE1-OH 2.86Å
117	N	96.3	Very high	94.6	Very high	48 Å²	48	46.3 Å²	46.3	26%	0.257	23%	0.225	S	C	.	.	I	π-helix	trans	-62.8	-48.3	173.6	-176	-85	0	0	0	111.6	P113 L114 I115 R119 I121 R122	P113-N117 WeakPolarHBondContact O-CB 3.31Å; P113-N117 PolarHBondContact O-N 2.62Å; L114-N117 WeakPolarHBondContact O-CB 3.08Å; L114-N117 PolarHBondContact O-N 2.97Å; I115-N117 VanDerWaalsContact C-N 3.34Å; I115-N117 PolarHBondContact O-N 3.47Å; N117-R119 PolarHBondContact O-N 3.2Å; N117-I121 HydrophobicContact CB-CD1 4.46Å; N117-I121 VanDerWaalsContact ND2-CD1 3.34Å; N117-I121 WeakPolarHBondContact ND2-CD1 3.44Å; N117-I121 WeakPolarHBondContact O-CA 3.25Å; N117-I121 WeakPolarHBondContact O-CB 3.34Å; N117-I121 PolarHBondContact O-N 3.08Å; N117-R122 PolarHBondContact O-N 3.25Å; N117-R122 PolarHBondContact OD1-NE 3.1Å
118	I	95.5	Very high	94.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.225	C	C	.	.	I	π-helix	trans	-58	-48.7	178.2	-68.5	167.5	0	0	0	110.2	E58 V60 L114 I115 K123 K124 P126	E58-I118 HydrophobicContact CB-CD1 4.17Å; E58-I118 HydrophobicContact CB-CG1 4.48Å; E58-I118 HydrophobicContact CB-CG2 4.19Å; V60-I118 HydrophobicContact CG2-CD1 3.63Å; L114-I118 HydrophobicContact CD1-CD1 3.95Å; L114-I118 HydrophobicContact CD1-CG1 4.26Å; L114-I118 HydrophobicContact CG-CD1 3.94Å; L114-I118 VanDerWaalsContact O-CG1 3.32Å; L114-I118 WeakPolarHBondContact O-CG1 3.35Å; L114-I118 PolarHBondContact O-N 3.26Å; I115-I118 PolarHBondContact O-N 3.41Å; I118-K123 PolarHBondContact O-N 2.87Å; I118-K123 VanDerWaalsContact O-N 3.15Å; I118-K124 HydrophobicContact CG2-CB 3.94Å; I118-K124 WeakPolarHBondContact CG2-O 3.44Å; I118-K124 PolarHBondContact O-N 2.98Å; I118-P126 HydrophobicContact CB-CB 4.49Å; I118-P126 HydrophobicContact CG2-CB 3.94Å
119	R	91.1	Very high	95.1	Very high	7 Å²	7	44.1 Å²	44.1	3%	0.026	22%	0.218	C	C	.	.	I	π-helix	trans	-71.6	-50.2	-176.8	-66.2	168.3	82.2	-151.5	-0.8	113.2	L31 I115 E116 N117 K123 P126	L31-R119 PolarHBondContact O-NE 3.46Å; L31-R119 PolarHBondContact O-NH2 3.36Å; I115-R119 HydrophobicContact CG2-CG 4.35Å; I115-R119 WeakPolarHBondContact O-CB 3.28Å; I115-R119 VanDerWaalsContact O-CG 3.23Å; I115-R119 WeakPolarHBondContact O-CG 3.48Å; I115-R119 PolarHBondContact O-N 2.84Å; E116-R119 IonicContact OE1-NH1 3.16Å; E116-R119 PolarHBondContact OE1-NH1 2.89Å; E116-R119 IonicContact OE2-NH1 2.95Å; N117-R119 PolarHBondContact O-N 3.2Å; R119-K123 WeakPolarHBondContact O-CA 3.24Å; R119-P126 HydrophobicContact CG-CB 4.42Å; R119-P126 HydrophobicContact CG-CG 3.43Å; R119-P126 VanDerWaalsContact CG-CG 3.43Å
120	N	90.2	Very high	95.3	Very high	48 Å²	48	39.2 Å²	39.2	26%	0.257	19%	0.193	S	C	.	.	I	π-helix	trans	-95.5	-34.5	-164	-58.8	-39.3	0	0	0	112.7	Q30 E116 K123	Q30-N120 PolarHBondContact NE2-OD1 3.01Å; E116-N120 WeakPolarHBondContact O-CB 3.47Å; E116-N120 PolarHBondContact O-N 3.04Å; E116-N120 PolarHBondContact O-ND2 3.37Å; E116-N120 PolarHBondContact OE2-ND2 3.16Å; N120-K123 WeakPolarHBondContact O-CD 3.36Å; N120-K123 WeakPolarHBondContact O-CE 3.43Å; N120-K123 PolarHBondContact O-NZ 3.4Å
121	I	91.8	Very high	95.3	Very high	125 Å²	125	36.2 Å²	36.2	64%	0.641	18%	0.178	S	C	*	.	I	π-helix	trans	-95.6	-54.5	-177	-62	169.8	0	0	0	110	N117 K123	N117-I121 HydrophobicContact CB-CD1 4.46Å; N117-I121 VanDerWaalsContact ND2-CD1 3.34Å; N117-I121 WeakPolarHBondContact ND2-CD1 3.44Å; N117-I121 WeakPolarHBondContact O-CA 3.25Å; N117-I121 WeakPolarHBondContact O-CB 3.34Å; N117-I121 PolarHBondContact O-N 3.08Å; I121-K123 VanDerWaalsContact C-N 3.31Å; I121-K123 PolarHBondContact O-N 3.41Å
122	R	92.2	Very high	95.1	Very high	111 Å²	111	37.4 Å²	37.4	42%	0.419	19%	0.185	S	C	.	.	S	Bend	trans	-78	-17.7	-178.5	-55.1	-177.3	-168.7	-168.7	-4.5	113.4	E58 N117 K124	E58-R122 WeakPolarHBondContact OE1-CD 3.31Å; E58-R122 IonicContact OE1-NH1 3.4Å; E58-R122 PolarHBondContact OE1-NH1 3.43Å; E58-R122 IonicContact OE2-CZ 2.76Å; E58-R122 IonicContact OE2-NH1 3.42Å; E58-R122 PolarHBondContact OE2-NH1 2.79Å; N117-R122 PolarHBondContact O-N 3.25Å; N117-R122 PolarHBondContact OD1-NE 3.1Å; R122-K124 VanDerWaalsContact C-N 3.28Å; R122-K124 HydrophobicContact CB-CB 4.4Å; R122-K124 HydrophobicContact CB-CG 3.94Å; R122-K124 PolarHBondContact O-N 3.5Å
123	K	89.8	Confident	95	Very high	121 Å²	121	36.4 Å²	36.4	53%	0.526	18%	0.18	S	C	.	.			trans	54.9	42.7	-174.4	-55.4	-56.8	-167.3	-167.7	0	112.3	I118 R119 N120 I121	I118-K123 PolarHBondContact O-N 2.87Å; I118-K123 VanDerWaalsContact O-N 3.15Å; R119-K123 WeakPolarHBondContact O-CA 3.24Å; N120-K123 WeakPolarHBondContact O-CD 3.36Å; N120-K123 WeakPolarHBondContact O-CE 3.43Å; N120-K123 PolarHBondContact O-NZ 3.4Å; I121-K123 VanDerWaalsContact C-N 3.31Å; I121-K123 PolarHBondContact O-N 3.41Å
124	K	92.6	Very high	94.7	Very high	90 Å²	90	36.4 Å²	36.4	39%	0.391	17%	0.17	S	C	.	.			trans	-114.3	155.6	179.4	-63.3	-71.3	172.9	-179.9	0	110.5	L31 G56 E58 I118 R122 P126	L31-K124 VanDerWaalsContact CD1-C 3.41Å; L31-K124 VanDerWaalsContact CD1-O 3.28Å; L31-K124 WeakPolarHBondContact CD1-O 3.27Å; G56-K124 WeakPolarHBondContact O-CD 3.38Å; E58-K124 HydrophobicContact CG-CB 4.2Å; E58-K124 HydrophobicContact CG-CG 4.49Å; I118-K124 HydrophobicContact CG2-CB 3.94Å; I118-K124 WeakPolarHBondContact CG2-O 3.44Å; I118-K124 PolarHBondContact O-N 2.98Å; R122-K124 VanDerWaalsContact C-N 3.28Å; R122-K124 HydrophobicContact CB-CB 4.4Å; R122-K124 HydrophobicContact CB-CG 3.94Å; R122-K124 PolarHBondContact O-N 3.5Å; K124-P126 VanDerWaalsContact O-CD 3.28Å; K124-P126 WeakPolarHBondContact O-CD 3.26Å
125	L	94.3	Very high	94.6	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.026	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	114.6	180	-175.1	68.8	0	0	0	110.5	L31 P32 I34 F55 G57 E58 I127 I420 L424	L31-L125 HydrophobicContact CB-CD1 4.45Å; P32-L125 HydrophobicContact CG-CD1 3.91Å; P32-L125 VanDerWaalsContact O-CD1 3.25Å; P32-L125 WeakPolarHBondContact O-CD1 3.45Å; I34-L125 HydrophobicContact CG1-CD1 4.02Å; I34-L125 HydrophobicContact CG1-CD2 4.03Å; I34-L125 HydrophobicContact CG1-CG 4.15Å; F55-L125 HydrophobicContact CB-CD2 3.76Å; F55-L125 HydrophobicContact CD2-CD2 4.4Å; F55-L125 HydrophobicContact CG-CD2 4.22Å; G57-L125 CarbonylContact C-O 3.59Å; G57-L125 WeakPolarHBondContact CA-O 3.39Å; E58-L125 PolarHBondContact N-O 3.41Å; L125-I127 HydrophobicContact CD2-CD1 4.39Å; L125-I127 HydrophobicContact CD2-CG1 4.33Å; L125-I127 HydrophobicContact CG-CG1 4.31Å; L125-I127 PolarHBondContact O-N 3.39Å; L125-I420 HydrophobicContact CD2-CG2 4.12Å; L125-L424 HydrophobicContact CD1-CD2 4.26Å
126	P	97.3	Very high	94.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	124.5	174.5	32.3	-37.1	0	0	0	110.8	V33 I34 I115 I118 R119 K124	V33-P126 HydrophobicContact CB-CG 4.4Å; V33-P126 HydrophobicContact CG1-CG 4.47Å; V33-P126 HydrophobicContact CG2-CG 3.95Å; I34-P126 PolarHBondContact N-O 3.44Å; I34-P126 VanDerWaalsContact N-O 3.13Å; I115-P126 HydrophobicContact CG2-CB 4.32Å; I115-P126 HydrophobicContact CG2-CG 4.26Å; I118-P126 HydrophobicContact CB-CB 4.49Å; I118-P126 HydrophobicContact CG2-CB 3.94Å; R119-P126 HydrophobicContact CG-CB 4.42Å; R119-P126 HydrophobicContact CG-CG 3.43Å; R119-P126 VanDerWaalsContact CG-CG 3.43Å; K124-P126 VanDerWaalsContact O-CD 3.28Å; K124-P126 WeakPolarHBondContact O-CD 3.26Å
127	I	98.4	Very high	94.3	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	101.4	178.1	-61.2	165.9	0	0	0	108.4	I34 I36 A48 L51 A52 E58 V59 V60 L125	I34-I127 HydrophobicContact CB-CG1 4.36Å; I34-I127 CarbonylContact O-C 3.45Å; I34-I127 WeakPolarHBondContact O-CA 3.35Å; I36-I127 HydrophobicContact CD1-CG2 3.55Å; I36-I127 HydrophobicContact CG1-CG2 4.24Å; A48-I127 HydrophobicContact CB-CG2 3.99Å; L51-I127 HydrophobicContact CB-CD1 3.87Å; A52-I127 HydrophobicContact CB-CD1 3.83Å; E58-I127 PolarHBondContact O-N 2.92Å; V59-I127 CarbonylContact C-O 3.49Å; V59-I127 WeakPolarHBondContact CA-O 3.43Å; V60-I127 PolarHBondContact N-O 2.65Å; L125-I127 HydrophobicContact CD2-CD1 4.39Å; L125-I127 HydrophobicContact CD2-CG1 4.33Å; L125-I127 HydrophobicContact CG-CG1 4.31Å; L125-I127 PolarHBondContact O-N 3.39Å
128	L	98.7	Very high	94.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	129.1	177.5	-46.4	-174.6	0	0	0	109.4	V33 I34 A35 I36 V60 F62 I115 L136 I139 L140	V33-L128 HydrophobicContact CG1-CD1 3.63Å; V33-L128 HydrophobicContact CG1-CD2 4.35Å; V33-L128 HydrophobicContact CG1-CG 3.77Å; I34-L128 PolarHBondContact O-N 3.35Å; A35-L128 CarbonylContact C-O 3.47Å; A35-L128 WeakPolarHBondContact CA-O 3.49Å; A35-L128 HydrophobicContact CB-CB 4.3Å; I36-L128 PolarHBondContact N-O 3.4Å; V60-L128 HydrophobicContact CB-CD2 3.65Å; V60-L128 HydrophobicContact CG1-CD2 4.08Å; V60-L128 HydrophobicContact CG2-CD2 4.15Å; V60-L128 CarbonylContact O-C 3.56Å; V60-L128 VanDerWaalsContact O-CA 3.31Å; V60-L128 WeakPolarHBondContact O-CA 3.39Å; F62-L128 HydrophobicContact CD1-CB 3.91Å; F62-L128 HydrophobicContact CE1-CB 4.13Å; I115-L128 HydrophobicContact CD1-CD1 4.22Å; I115-L128 HydrophobicContact CD1-CD2 3.69Å; I115-L128 HydrophobicContact CG1-CD2 3.97Å; L128-L136 HydrophobicContact CB-CD1 4.28Å; L128-L136 HydrophobicContact CD1-CD1 3.83Å; L128-I139 HydrophobicContact CD1-CG2 3.77Å; L128-L140 HydrophobicContact CD1-CD2 4.1Å
129	V	98.6	Very high	94.1	Very high	9 Å²	9	31.8 Å²	31.8	6%	0.055	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	139.1	178.8	71.4	0	0	0	0	112	I36 K44 A48 V59 V60 N61 F62	I36-V129 HydrophobicContact CB-CG2 4.24Å; I36-V129 HydrophobicContact CG2-CG2 4.44Å; K44-V129 HydrophobicContact CB-CG2 3.72Å; A48-V129 HydrophobicContact CB-CB 3.96Å; A48-V129 HydrophobicContact CB-CG1 4.18Å; A48-V129 HydrophobicContact CB-CG2 4Å; V59-V129 HydrophobicContact CG1-CB 4.35Å; V59-V129 HydrophobicContact CG1-CG1 3.31Å; V60-V129 PolarHBondContact O-N 3.33Å; N61-V129 CarbonylContact C-O 3.33Å; N61-V129 WeakPolarHBondContact CA-O 3.48Å; F62-V129 VanDerWaalsContact CD1-O 3.31Å; F62-V129 WeakPolarHBondContact CD1-O 3.35Å; F62-V129 PolarHBondContact N-O 3.41Å
130	G	97.1	Very high	94.2	Very high	6 Å²	6	31.5 Å²	31.5	6%	0.062	14%	0.144	C	C	.	.			trans	166	173.2	-179.9	0	0	0	0	0	115.3	K44 F62	K44-G130 WeakPolarHBondContact CE-O 3.43Å; F62-G130 VanDerWaalsContact CE2-CA 3.44Å; F62-G130 WeakPolarHBondContact CE2-O 3.33Å; F62-G130 VanDerWaalsContact CZ-C 3.49Å; F62-G130 WeakPolarHBondContact CZ-O 3.26Å
131	G	94.3	Very high	94.2	Very high	2 Å²	2	29.3 Å²	29.3	2%	0.021	13%	0.132	C	C	.	.	S	Bend	trans	-100.1	-16	177.6	0	0	0	0	0	115.1	D63 H133 Y368 Q372	D63-G131 PolarHBondContact OD2-N 3.17Å; G131-H133 PolarHBondContact O-CE1 3.24Å; G131-H133 VanDerWaalsContact O-CE1 3.3Å; G131-H133 PolarHBondContact O-N 3.1Å; G131-H133 PolarHBondContact O-ND1 3.24Å; G131-Y368 PolarHBondContact O-OH 2.72Å; G131-Q372 PolarHBondContact O-NE2 3.45Å
132	T	94.7	Very high	94.1	Very high	25 Å²	25	27 Å²	27	15%	0.153	12%	0.119	C	C	.	.			trans	-90.9	78.2	-174.5	-46.2	0	0	0	0	110.8	F62 A64 Y134 Y135 L136	F62-T132 VanDerWaalsContact O-CB 3.29Å; F62-T132 WeakPolarHBondContact O-CB 3.5Å; A64-T132 HydrophobicContact CB-CG2 3.95Å; A64-T132 PolarHBondContact N-OG1 3.24Å; T132-Y134 PolarHBondContact O-N 3.13Å; T132-Y135 HydrophobicContact CG2-CD1 3.62Å; T132-Y135 HydrophobicContact CG2-CE1 4.13Å; T132-Y135 HydrophobicContact CG2-CG 3.95Å; T132-Y135 WeakPolarHBondContact O-CB 3.01Å; T132-Y135 PolarHBondContact O-N 3.27Å; T132-L136 PolarHBondContact O-N 3.47Å
133	H	94.1	Very high	93.6	Very high	6 Å²	6	24.2 Å²	24.2	3%	0.028	11%	0.112	C	C	.	.	H	α-helix	trans	-57.7	-23.9	-176.6	-55.1	109.1	0	0	0	114.5	G38 G131 Y135 L136 E137 W375 F380	G38-H133 PolarHBondContact O-CE1 3.19Å; G131-H133 PolarHBondContact O-CE1 3.24Å; G131-H133 VanDerWaalsContact O-CE1 3.3Å; G131-H133 PolarHBondContact O-N 3.1Å; G131-H133 PolarHBondContact O-ND1 3.24Å; H133-Y135 VanDerWaalsContact C-N 3.32Å; H133-Y135 PolarHBondContact O-N 3Å; H133-L136 PolarHBondContact O-N 2.93Å; H133-E137 PolarHBondContact O-N 3.13Å; H133-W375 HydrophobicContact CB-CG 3.88Å; H133-F380 HydrophobicContact CB-CE2 3.91Å; H133-F380 HydrophobicContact CB-CZ 3.83Å
134	Y	91.4	Very high	93	Very high	81 Å²	81	19.1 Å²	19.1	32%	0.318	9%	0.09	S	C	.	.	H	α-helix	trans	-62	-36.8	171	-178.9	-109.2	0	0	0	112.7	V104 T132 A138 F144 W375	V104-Y134 HydrophobicContact CB-CD1 4.36Å; V104-Y134 HydrophobicContact CB-CE1 3.8Å; V104-Y134 HydrophobicContact CG1-CE1 3.77Å; V104-Y134 HydrophobicContact CG2-CD1 4.13Å; V104-Y134 HydrophobicContact CG2-CE1 3.82Å; T132-Y134 PolarHBondContact O-N 3.13Å; Y134-A138 PolarHBondContact O-N 3.46Å; Y134-F144 HydrophobicContact CD2-CE2 4.23Å; Y134-F144 AromaticContact CD2-CZ 3.62Å; Y134-F144 HydrophobicContact CD2-CZ 3.62Å; Y134-F144 HydrophobicContact CE1-CZ 4.33Å; Y134-F144 HydrophobicContact CE2-CE1 4.27Å; Y134-F144 HydrophobicContact CE2-CE2 4.02Å; Y134-F144 AromaticContact CE2-CZ 3.33Å; Y134-F144 HydrophobicContact CE2-CZ 3.33Å; Y134-F144 HydrophobicContact CG-CZ 4.27Å; Y134-F144 AromaticContact CZ-CZ 3.69Å; Y134-F144 WeakPolarHBondContact O-CZ 3.48Å; Y134-W375 AromaticContact CD2-CH2 3.56Å; Y134-W375 HydrophobicContact CD2-CH2 3.56Å; Y134-W375 AromaticContact CD2-CZ2 3.74Å; Y134-W375 HydrophobicContact CD2-CZ2 3.74Å; Y134-W375 HydrophobicContact CE2-CH2 4.49Å; Y134-W375 HydrophobicContact CG-CH2 4.23Å; Y134-W375 HydrophobicContact CG-CZ2 4.31Å
135	Y	94.5	Very high	91.7	Very high	30 Å²	30	16.6 Å²	16.6	12%	0.118	8%	0.081	C	C	.	.	H	α-helix	trans	-75.2	-39.1	176.9	-79	31.8	0	0	0	110.1	A64 L67 V104 Y107 T132 H133 E137 A138 I139	A64-Y135 HydrophobicContact CB-CD2 4.23Å; A64-Y135 HydrophobicContact CB-CE1 4.24Å; A64-Y135 HydrophobicContact CB-CE2 3.73Å; L67-Y135 HydrophobicContact CD1-CE2 3.94Å; V104-Y135 HydrophobicContact CB-CD1 4.09Å; V104-Y135 HydrophobicContact CB-CE1 3.77Å; V104-Y135 HydrophobicContact CG2-CD1 3.82Å; V104-Y135 HydrophobicContact CG2-CE1 4.04Å; V104-Y135 HydrophobicContact CG2-CG 4.35Å; Y107-Y135 AromaticContact CD1-CD2 3.48Å; Y107-Y135 HydrophobicContact CD1-CD2 3.48Å; Y107-Y135 VanDerWaalsContact CD1-CD2 3.48Å; Y107-Y135 HydrophobicContact CD1-CE2 4.24Å; Y107-Y135 HydrophobicContact CD1-CG 4.02Å; Y107-Y135 AromaticContact CD2-CD2 3.97Å; Y107-Y135 HydrophobicContact CD2-CD2 3.97Å; Y107-Y135 HydrophobicContact CD2-CE2 4.3Å; Y107-Y135 AromaticContact CE1-CD2 3.98Å; Y107-Y135 HydrophobicContact CE1-CD2 3.98Å; Y107-Y135 HydrophobicContact CE1-CG 4.38Å; Y107-Y135 HydrophobicContact CE2-CD2 4.41Å; Y107-Y135 AromaticContact CG-CD2 3.49Å; Y107-Y135 HydrophobicContact CG-CD2 3.49Å; Y107-Y135 VanDerWaalsContact CG-CD2 3.49Å; Y107-Y135 AromaticContact CG-CE2 3.83Å; Y107-Y135 HydrophobicContact CG-CE2 3.83Å; Y107-Y135 HydrophobicContact CG-CG 4.44Å; T132-Y135 HydrophobicContact CG2-CD1 3.62Å; T132-Y135 HydrophobicContact CG2-CE1 4.13Å; T132-Y135 HydrophobicContact CG2-CG 3.95Å; T132-Y135 WeakPolarHBondContact O-CB 3.01Å; T132-Y135 PolarHBondContact O-N 3.27Å; H133-Y135 VanDerWaalsContact C-N 3.32Å; H133-Y135 PolarHBondContact O-N 3Å; Y135-E137 VanDerWaalsContact C-N 3.26Å; Y135-E137 PolarHBondContact O-N 2.72Å; Y135-A138 VanDerWaalsContact O-CB 3.29Å; Y135-A138 WeakPolarHBondContact O-CB 3.46Å; Y135-A138 PolarHBondContact O-N 3.49Å; Y135-A138 VanDerWaalsContact O-N 3.08Å; Y135-I139 WeakPolarHBondContact O-CG1 3.46Å; Y135-I139 PolarHBondContact O-N 3.24Å
136	L	95.5	Very high	90	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-58.7	-40	173	-175.7	64	0	0	0	111.7	A35 C37 F62 L128 T132 H133 A138 I139 L140 F380	A35-L136 HydrophobicContact CB-CD1 3.74Å; A35-L136 HydrophobicContact CB-CD2 4.05Å; A35-L136 HydrophobicContact CB-CG 4.47Å; C37-L136 HydrophobicContact CB-CD2 4.2Å; F62-L136 HydrophobicContact CD1-CD1 4.07Å; F62-L136 HydrophobicContact CD2-CB 3.94Å; F62-L136 HydrophobicContact CE1-CB 4.5Å; F62-L136 HydrophobicContact CE1-CD1 3.92Å; F62-L136 HydrophobicContact CE1-CD2 4.23Å; F62-L136 HydrophobicContact CE1-CG 4.45Å; F62-L136 HydrophobicContact CE2-CB 3.9Å; F62-L136 HydrophobicContact CE2-CD2 4.29Å; F62-L136 HydrophobicContact CG-CB 4.31Å; F62-L136 HydrophobicContact CZ-CB 4.19Å; F62-L136 HydrophobicContact CZ-CD1 4.32Å; F62-L136 HydrophobicContact CZ-CD2 3.85Å; F62-L136 HydrophobicContact CZ-CG 4.35Å; L128-L136 HydrophobicContact CB-CD1 4.28Å; L128-L136 HydrophobicContact CD1-CD1 3.83Å; T132-L136 PolarHBondContact O-N 3.47Å; H133-L136 PolarHBondContact O-N 2.93Å; L136-A138 VanDerWaalsContact C-N 3.27Å; L136-A138 PolarHBondContact O-N 3.46Å; L136-I139 PolarHBondContact O-N 3.3Å; L136-L140 HydrophobicContact CD1-CD1 3.7Å; L136-L140 HydrophobicContact CD1-CG 3.8Å; L136-L140 HydrophobicContact CD2-CD1 4.24Å; L136-L140 HydrophobicContact CG-CD1 3.8Å; L136-L140 HydrophobicContact CG-CG 4.18Å; L136-L140 WeakPolarHBondContact O-CB 3.41Å; L136-L140 PolarHBondContact O-N 3.46Å; L136-F380 HydrophobicContact CB-CZ 4.37Å; L136-F380 HydrophobicContact CD2-CE2 3.91Å; L136-F380 HydrophobicContact CD2-CZ 3.98Å; L136-F380 HydrophobicContact CG-CZ 4.35Å
137	E	91.4	Very high	87.8	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-59.6	-38.8	175.4	-161	176.6	171	0	0	111.8	H133 Y135 I139 W141 F144 W375 F380 R383	H133-E137 PolarHBondContact O-N 3.13Å; Y135-E137 VanDerWaalsContact C-N 3.26Å; Y135-E137 PolarHBondContact O-N 2.72Å; E137-I139 VanDerWaalsContact C-N 3.29Å; E137-I139 PolarHBondContact O-N 3.23Å; E137-W141 HydrophobicContact CB-CE3 4.23Å; E137-W141 HydrophobicContact CB-CZ3 4.43Å; E137-W141 HydrophobicContact CG-CD2 4.35Å; E137-W141 HydrophobicContact CG-CE3 3.75Å; E137-W141 HydrophobicContact CG-CZ3 4.17Å; E137-W141 PolarHBondContact O-N 2.79Å; E137-W141 VanDerWaalsContact O-N 3.08Å; E137-F144 HydrophobicContact CB-CD2 3.99Å; E137-F144 HydrophobicContact CB-CE2 3.75Å; E137-F144 HydrophobicContact CB-CZ 4.22Å; E137-F144 VanDerWaalsContact CD-CE2 3.49Å; E137-F144 HydrophobicContact CG-CD2 3.51Å; E137-F144 HydrophobicContact CG-CE2 3.61Å; E137-F144 HydrophobicContact CG-CG 4.39Å; E137-W375 WeakPolarHBondContact OE2-CZ2 3.48Å; E137-F380 HydrophobicContact CB-CE1 4.24Å; E137-F380 HydrophobicContact CG-CE1 4.45Å; E137-R383 IonicContact OE1-CZ 3.31Å; E137-R383 IonicContact OE1-NH1 2.67Å; E137-R383 IonicContact OE1-NH2 3.85Å; E137-R383 PolarHBondContact OE1-NH2 2.97Å; E137-R383 IonicContact OE2-NH2 3.71Å
138	A	91.7	Very high	85.2	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64	-31.7	177	0	0	0	0	0	114.7	V104 Y134 Y135 L136 F144 R234	V104-A138 HydrophobicContact CG2-CB 3.68Å; Y134-A138 PolarHBondContact O-N 3.46Å; Y135-A138 VanDerWaalsContact O-CB 3.29Å; Y135-A138 WeakPolarHBondContact O-CB 3.46Å; Y135-A138 PolarHBondContact O-N 3.49Å; Y135-A138 VanDerWaalsContact O-N 3.08Å; L136-A138 VanDerWaalsContact C-N 3.27Å; L136-A138 PolarHBondContact O-N 3.46Å; A138-F144 HydrophobicContact CB-CD1 3.36Å; A138-F144 HydrophobicContact CB-CE1 3.37Å; A138-F144 HydrophobicContact CB-CG 4.3Å; A138-F144 HydrophobicContact CB-CZ 4.36Å; A138-R234 PolarHBondContact O-NH2 3.02Å
139	I	95.6	Very high	82.2	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-84	-46.8	-179.8	-60.2	-51.1	0	0	0	110.7	Y107 R108 C111 L112 I115 L128 Y135 L136 E137 R234	Y107-I139 HydrophobicContact CD1-CD1 4.18Å; Y107-I139 HydrophobicContact CD1-CG1 4.43Å; Y107-I139 HydrophobicContact CE1-CD1 3.78Å; Y107-I139 HydrophobicContact CE1-CG1 3.66Å; R108-I139 HydrophobicContact CB-CD1 4.34Å; R108-I139 HydrophobicContact CG-CD1 4.38Å; C111-I139 HydrophobicContact CB-CD1 3.66Å; L112-I139 HydrophobicContact CD2-CD1 4.12Å; L112-I139 HydrophobicContact CD2-CG2 4.11Å; L112-I139 HydrophobicContact CG-CD1 4.27Å; I115-I139 HydrophobicContact CD1-CG2 3.36Å; L128-I139 HydrophobicContact CD1-CG2 3.77Å; Y135-I139 WeakPolarHBondContact O-CG1 3.46Å; Y135-I139 PolarHBondContact O-N 3.24Å; L136-I139 PolarHBondContact O-N 3.3Å; E137-I139 VanDerWaalsContact C-N 3.29Å; E137-I139 PolarHBondContact O-N 3.23Å; I139-R234 WeakPolarHBondContact O-CD 3.48Å; I139-R234 PolarHBondContact O-NE 3.47Å
140	L	94.4	Very high	79.2	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-82.1	-21.1	-170.8	-72	-171.1	0	0	0	114.2	V33 A35 L128 L136 P233 R234 Y235 I241 I389	V33-L140 HydrophobicContact CG1-CD2 4.11Å; A35-L140 HydrophobicContact CB-CD1 3.92Å; L128-L140 HydrophobicContact CD1-CD2 4.1Å; L136-L140 HydrophobicContact CD1-CD1 3.7Å; L136-L140 HydrophobicContact CD1-CG 3.8Å; L136-L140 HydrophobicContact CD2-CD1 4.24Å; L136-L140 HydrophobicContact CG-CD1 3.8Å; L136-L140 HydrophobicContact CG-CG 4.18Å; L136-L140 WeakPolarHBondContact O-CB 3.41Å; L136-L140 PolarHBondContact O-N 3.46Å; L140-P233 WeakPolarHBondContact O-CA 3.33Å; L140-R234 WeakPolarHBondContact O-CB 3.25Å; L140-R234 PolarHBondContact O-N 3.09Å; L140-Y235 HydrophobicContact CD2-CD2 4.38Å; L140-I241 HydrophobicContact CD1-CD1 3.84Å; L140-I241 HydrophobicContact CD1-CG1 3.75Å; L140-I389 HydrophobicContact CB-CD1 3.61Å; L140-I389 HydrophobicContact CD1-CD1 4.13Å; L140-I389 HydrophobicContact CG-CD1 4.32Å; L140-I389 WeakPolarHBondContact O-CD1 3.23Å
141	W	90.6	Very high	76.3	Confident	2 Å²	2	47 Å²	47	1%	0.008	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-113.6	133.3	176.9	-73	-93.1	0	0	0	112	E137 F144 S230 I231 K232 R234 I241 F380 R383 I389	E137-W141 HydrophobicContact CB-CE3 4.23Å; E137-W141 HydrophobicContact CB-CZ3 4.43Å; E137-W141 HydrophobicContact CG-CD2 4.35Å; E137-W141 HydrophobicContact CG-CE3 3.75Å; E137-W141 HydrophobicContact CG-CZ3 4.17Å; E137-W141 PolarHBondContact O-N 2.79Å; E137-W141 VanDerWaalsContact O-N 3.08Å; W141-F144 HydrophobicContact CB-CB 4.3Å; W141-S230 VanDerWaalsContact CB-CB 3.45Å; W141-I231 PolarHBondContact NE1-O 3.09Å; W141-K232 CarbonylContact C-O 3.58Å; W141-K232 WeakPolarHBondContact CA-O 3.38Å; W141-R234 PolarHBondContact O-NH2 3.42Å; W141-I241 HydrophobicContact CH2-CD1 3.88Å; W141-F380 AromaticContact CH2-CD1 3.54Å; W141-F380 HydrophobicContact CH2-CD1 3.54Å; W141-F380 AromaticContact CH2-CE1 3.76Å; W141-F380 HydrophobicContact CH2-CE1 3.76Å; W141-F380 HydrophobicContact CH2-CG 4.37Å; W141-F380 HydrophobicContact CZ2-CD1 4.5Å; W141-F380 AromaticContact CZ3-CD1 3.91Å; W141-F380 HydrophobicContact CZ3-CD1 3.91Å; W141-F380 AromaticContact CZ3-CE1 3.6Å; W141-F380 HydrophobicContact CZ3-CE1 3.6Å; W141-F380 HydrophobicContact CZ3-CZ 4.41Å; W141-R383 VanDerWaalsContact CD2-NH1 3.33Å; W141-I389 HydrophobicContact CD2-CD1 4.24Å; W141-I389 HydrophobicContact CE3-CD1 4.41Å; W141-I389 HydrophobicContact CH2-CD1 4.11Å; W141-I389 HydrophobicContact CZ2-CB 4.34Å; W141-I389 HydrophobicContact CZ2-CD1 3.87Å; W141-I389 HydrophobicContact CZ2-CG1 4.23Å; W141-I389 HydrophobicContact CZ3-CD1 4.36Å
142	E	88.1	Confident	73.7	Confident	77 Å²	77	51.5 Å²	51.5	36%	0.36	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-39.8	-174.9	-169.3	-173.8	147	0	0	112.4	F144 K232 R234	E142-F144 VanDerWaalsContact C-N 3.25Å; E142-F144 PolarHBondContact O-N 3.34Å; E142-K232 HydrophobicContact CB-CD 4.25Å; E142-K232 HydrophobicContact CB-CG 4.41Å; E142-K232 PolarHBondContact N-O 3.07Å; E142-K232 IonicContact OE1-NZ 3.42Å; E142-K232 PolarHBondContact OE1-NZ 3.27Å; E142-K232 WeakPolarHBondContact OE2-CD 3.37Å; E142-K232 WeakPolarHBondContact OE2-CE 3.46Å; E142-K232 IonicContact OE2-NZ 3.61Å; E142-K232 PolarHBondContact OE2-NZ 3.33Å; E142-R234 HydrophobicContact CB-CB 4.43Å
143	D	81.8	Confident	71.2	Confident	53 Å²	53	58 Å²	58	28%	0.283	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-1.1	-177.7	57.8	5.5	0	0	0	113.5	L145 A146 S230 I231 K232	D143-L145 PolarHBondContact O-N 3.44Å; D143-A146 WeakPolarHBondContact O-CB 3.41Å; D143-A146 PolarHBondContact O-N 3.43Å; D143-S230 VanDerWaalsContact OD1-CA 3.22Å; D143-S230 WeakPolarHBondContact OD1-CA 3.22Å; D143-S230 WeakPolarHBondContact OD1-CB 3.21Å; D143-S230 PolarHBondContact OD1-OG 2.96Å; D143-I231 PolarHBondContact OD1-N 3.43Å; D143-I231 PolarHBondContact OD2-N 3.49Å; D143-K232 HydrophobicContact CB-CB 4.47Å; D143-K232 PolarHBondContact OD2-N 3.47Å
144	F	77.7	Confident	68.7	Low	13 Å²	13	61.3 Å²	61.3	6%	0.057	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	124.6	177.6	-171.9	-95.8	0	0	0	111.3	V104 R108 Y134 E137 A138 W141 E142 A146 S230	V104-F144 HydrophobicContact CG2-CE1 4.09Å; R108-F144 PolarHBondContact NH1-O 3.35Å; Y134-F144 HydrophobicContact CD2-CE2 4.23Å; Y134-F144 AromaticContact CD2-CZ 3.62Å; Y134-F144 HydrophobicContact CD2-CZ 3.62Å; Y134-F144 HydrophobicContact CE1-CZ 4.33Å; Y134-F144 HydrophobicContact CE2-CE1 4.27Å; Y134-F144 HydrophobicContact CE2-CE2 4.02Å; Y134-F144 AromaticContact CE2-CZ 3.33Å; Y134-F144 HydrophobicContact CE2-CZ 3.33Å; Y134-F144 HydrophobicContact CG-CZ 4.27Å; Y134-F144 AromaticContact CZ-CZ 3.69Å; Y134-F144 WeakPolarHBondContact O-CZ 3.48Å; E137-F144 HydrophobicContact CB-CD2 3.99Å; E137-F144 HydrophobicContact CB-CE2 3.75Å; E137-F144 HydrophobicContact CB-CZ 4.22Å; E137-F144 VanDerWaalsContact CD-CE2 3.49Å; E137-F144 HydrophobicContact CG-CD2 3.51Å; E137-F144 HydrophobicContact CG-CE2 3.61Å; E137-F144 HydrophobicContact CG-CG 4.39Å; A138-F144 HydrophobicContact CB-CD1 3.36Å; A138-F144 HydrophobicContact CB-CE1 3.37Å; A138-F144 HydrophobicContact CB-CG 4.3Å; A138-F144 HydrophobicContact CB-CZ 4.36Å; W141-F144 HydrophobicContact CB-CB 4.3Å; E142-F144 VanDerWaalsContact C-N 3.25Å; E142-F144 PolarHBondContact O-N 3.34Å; F144-A146 PolarHBondContact O-N 3.36Å; F144-S230 WeakPolarHBondContact CA-OG 3.06Å; F144-S230 WeakPolarHBondContact CB-OG 3.49Å; F144-S230 WeakPolarHBondContact CD2-OG 3.42Å; F144-S230 PolarHBondContact N-OG 3.42Å; F144-S230 VanDerWaalsContact N-OG 3.16Å
145	L	66.2	Low	66.9	Low	38 Å²	38	60 Å²	60	20%	0.199	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	36	-175.9	-60.3	167.8	0	0	0	112.3	V104 D143 S147	V104-L145 HydrophobicContact CB-CD1 4.44Å; V104-L145 HydrophobicContact CG1-CD1 3.4Å; V104-L145 HydrophobicContact CG2-CD1 4.2Å; D143-L145 PolarHBondContact O-N 3.44Å; L145-S147 PolarHBondContact O-N 3.41Å
146	A	58.4	Low	65.2	Low	76 Å²	76	63.1 Å²	63.1	63%	0.628	37%	0.371	S	S	*	.			trans	-65.2	75.4	169.1	0	0	0	0	0	109.6	D143 F144	D143-A146 WeakPolarHBondContact O-CB 3.41Å; D143-A146 PolarHBondContact O-N 3.43Å; F144-A146 PolarHBondContact O-N 3.36Å
147	S	49.4	Very low	63.6	Low	82 Å²	82	70 Å²	70	57%	0.573	40%	0.403	S	S	*	.			trans	-73.3	120	160.1	53	0	0	0	0	106.5	L145 H149	L145-S147 PolarHBondContact O-N 3.41Å; S147-H149 PolarHBondContact O-N 3.03Å
148	K	44.9	Very low	62.4	Low	149 Å²	149	72.5 Å²	72.5	65%	0.648	41%	0.414	S	S	*	.			trans	-45.7	126.8	166.2	-68.5	178.5	177.1	179.2	0	107.4	A150	K148-A150 VanDerWaalsContact C-N 3.34Å; K148-A150 PolarHBondContact O-N 2.57Å
149	H	35.7	Very low	61.3	Low	194 Å²	194	75.2 Å²	75.2	90%	0.898	43%	0.429	S	S	*	.			trans	-49.7	97.2	178.6	-77.5	-80	0	0	0	109.8	S147	S147-H149 PolarHBondContact O-N 3.03Å
150	A	35.9	Very low	60.2	Low	47 Å²	47	77.9 Å²	77.9	39%	0.388	45%	0.447	S	S	.	.			trans	-95.9	105	173.1	0	0	0	0	0	106.6	K148 Q206	K148-A150 VanDerWaalsContact C-N 3.34Å; K148-A150 PolarHBondContact O-N 2.57Å; A150-Q206 VanDerWaalsContact CB-NE2 3.33Å
151	T	36.7	Very low	59.3	Low	111 Å²	111	83.3 Å²	83.3	68%	0.681	47%	0.473	S	S	*	.			trans	-29.9	129	166.4	45.3	0	0	0	0	113.5	D153	T151-D153 VanDerWaalsContact C-N 3.34Å; T151-D153 PolarHBondContact O-N 2.67Å
152	S	38.5	Very low	58.5	Low	95 Å²	95	83.2 Å²	83.2	66%	0.664	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	18.2	-164.3	51.9	0	0	0	0	117.5
153	D	42.5	Very low	57.8	Low	161 Å²	161	81.3 Å²	81.3	86%	0.861	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	-9	-169.4	-81.8	-11.1	0	0	0	116.5	T151	T151-D153 VanDerWaalsContact C-N 3.34Å; T151-D153 PolarHBondContact O-N 2.67Å
154	S	42.7	Very low	57.5	Low	77 Å²	77	87 Å²	87	54%	0.538	49%	0.49	S	S	.	.	S	Bend	trans	-112.7	10.8	176.7	59.2	0	0	0	0	114.3	S156	S154-S156 PolarHBondContact O-N 3.36Å
155	T	52.7	Low	57.5	Low	53 Å²	53	88.1 Å²	88.1	33%	0.325	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-18.1	-163.2	44	0	0	0	0	115.7	D159	T155-D159 WeakPolarHBondContact O-CB 3.25Å
156	S	58.5	Low	58.2	Low	96 Å²	96	91.2 Å²	91.2	67%	0.671	51%	0.509	S	S	*	.	H	α-helix	trans	-78.9	-29.7	-168.9	60.6	0	0	0	0	114.9	S154 S160	S154-S156 PolarHBondContact O-N 3.36Å; S156-S160 PolarHBondContact O-N 2.87Å; S156-S160 PolarHBondContact O-OG 3.06Å
157	E	61.7	Low	59.2	Low	144 Å²	144	88.2 Å²	88.2	67%	0.673	48%	0.483	S	S	*	.	H	α-helix	trans	-72.1	-55.8	-170.1	-163.7	170.5	-165.2	0	0	111.7	D159 S160 E161	E157-D159 VanDerWaalsContact C-N 3.34Å; E157-D159 PolarHBondContact O-N 3.02Å; E157-S160 PolarHBondContact O-N 3.49Å; E157-S160 PolarHBondContact O-OG 3.37Å; E157-E161 PolarHBondContact O-N 2.81Å
158	F	66.2	Low	60.7	Low	53 Å²	53	87 Å²	87	23%	0.232	48%	0.475	C	S	.	.	H	α-helix	trans	-64.3	-36.6	178	-62.1	-66.4	0	0	0	113.3	S160 E161 V162 L198 L201 V205	F158-S160 VanDerWaalsContact C-N 3.27Å; F158-S160 PolarHBondContact O-N 3.42Å; F158-E161 PolarHBondContact O-N 3.21Å; F158-V162 WeakPolarHBondContact O-CG2 3.5Å; F158-V162 PolarHBondContact O-N 3.4Å; F158-L198 HydrophobicContact CB-CD2 3.99Å; F158-L198 WeakPolarHBondContact O-CD2 3.45Å; F158-L201 HydrophobicContact CD1-CB 4.28Å; F158-L201 HydrophobicContact CD1-CD1 4.21Å; F158-V205 HydrophobicContact CE2-CG2 3.67Å; F158-V205 HydrophobicContact CZ-CG2 3.72Å
159	D	68.8	Low	62.6	Low	57 Å²	57	84.8 Å²	84.8	31%	0.305	47%	0.467	S	S	.	.	H	α-helix	trans	-60.8	-41.2	179.2	-79	1.8	0	0	0	110.4	T155 E157 S163 L198 R202	T155-D159 WeakPolarHBondContact O-CB 3.25Å; E157-D159 VanDerWaalsContact C-N 3.34Å; E157-D159 PolarHBondContact O-N 3.02Å; D159-S163 WeakPolarHBondContact O-CB 3.31Å; D159-S163 PolarHBondContact O-N 3.38Å; D159-S163 VanDerWaalsContact O-N 3.08Å; D159-L198 WeakPolarHBondContact OD1-CD2 3.42Å; D159-R202 VanDerWaalsContact CG-NH2 3.28Å; D159-R202 IonicContact OD1-CZ 3.65Å; D159-R202 IonicContact OD1-NE 3.9Å; D159-R202 IonicContact OD1-NH2 2.7Å; D159-R202 PolarHBondContact OD1-NH2 3.42Å; D159-R202 IonicContact OD2-NH2 3.07Å; D159-R202 PolarHBondContact OD2-NH2 3.15Å
160	S	72.4	Confident	65	Low	57 Å²	57	75.6 Å²	75.6	40%	0.399	42%	0.424	S	S	.	.	H	α-helix	trans	-65.6	-50.8	175.5	73.3	0	0	0	0	111.6	S156 E157 F158 V162 S163 F164	S156-S160 PolarHBondContact O-N 2.87Å; S156-S160 PolarHBondContact O-OG 3.06Å; E157-S160 PolarHBondContact O-N 3.49Å; E157-S160 PolarHBondContact O-OG 3.37Å; F158-S160 VanDerWaalsContact C-N 3.27Å; F158-S160 PolarHBondContact O-N 3.42Å; S160-V162 PolarHBondContact O-N 2.79Å; S160-S163 WeakPolarHBondContact O-CB 3.4Å; S160-S163 PolarHBondContact O-N 2.87Å; S160-S163 VanDerWaalsContact O-N 3.16Å; S160-F164 WeakPolarHBondContact O-CD2 3.32Å; S160-F164 PolarHBondContact O-N 3.1Å
161	E	74.9	Confident	67.4	Low	114 Å²	114	73.9 Å²	73.9	53%	0.533	41%	0.408	S	S	.	.	H	α-helix	trans	-58.7	-53	-177.5	-169.7	177.9	-172.1	0	0	111.9	E157 F158 S163 F164 M165	E157-E161 PolarHBondContact O-N 2.81Å; F158-E161 PolarHBondContact O-N 3.21Å; E161-S163 VanDerWaalsContact C-N 3.26Å; E161-S163 PolarHBondContact O-N 3.04Å; E161-F164 PolarHBondContact O-N 2.68Å; E161-F164 VanDerWaalsContact O-N 3.11Å; E161-M165 WeakPolarHBondContact O-CG 3.32Å; E161-M165 PolarHBondContact O-N 2.74Å
162	V	75.3	Confident	69.8	Low	1 Å²	1	71.7 Å²	71.7	1%	0.006	39%	0.392	C	S	.	.	H	α-helix	trans	-66.1	-29.9	179.1	177.7	0	0	0	0	111.9	F158 S160 F164 M165 K194 L197 L198 L201	F158-V162 WeakPolarHBondContact O-CG2 3.5Å; F158-V162 PolarHBondContact O-N 3.4Å; S160-V162 PolarHBondContact O-N 2.79Å; V162-F164 VanDerWaalsContact C-N 3.34Å; V162-M165 HydrophobicContact CG2-SD 4.43Å; V162-K194 HydrophobicContact CG1-CB 3.85Å; V162-K194 HydrophobicContact CG1-CD 4.27Å; V162-K194 HydrophobicContact CG1-CG 3.87Å; V162-K194 WeakPolarHBondContact O-CD 3.26Å; V162-K194 VanDerWaalsContact O-CE 3.27Å; V162-K194 WeakPolarHBondContact O-CE 3.16Å; V162-K194 PolarHBondContact O-NZ 3.45Å; V162-L197 HydrophobicContact CG1-CD2 3.97Å; V162-L197 HydrophobicContact CG1-CG 4.46Å; V162-L197 HydrophobicContact CG2-CD2 4.01Å; V162-L197 HydrophobicContact CG2-CG 4.2Å; V162-L198 HydrophobicContact CB-CD2 3.74Å; V162-L198 HydrophobicContact CB-CG 4.01Å; V162-L198 HydrophobicContact CG1-CD1 4.47Å; V162-L198 HydrophobicContact CG1-CD2 4.29Å; V162-L198 HydrophobicContact CG1-CG 3.99Å; V162-L198 HydrophobicContact CG2-CD2 3.59Å; V162-L198 HydrophobicContact CG2-CG 4.1Å; V162-L201 HydrophobicContact CG2-CD1 3.71Å
163	S	73.7	Confident	72.2	Confident	36 Å²	36	70 Å²	70	25%	0.252	38%	0.375	S	S	.	.	H	α-helix	trans	-65	-38.7	174.2	-167.9	0	0	0	0	111.5	D159 S160 E161 K194	D159-S163 WeakPolarHBondContact O-CB 3.31Å; D159-S163 PolarHBondContact O-N 3.38Å; D159-S163 VanDerWaalsContact O-N 3.08Å; S160-S163 WeakPolarHBondContact O-CB 3.4Å; S160-S163 PolarHBondContact O-N 2.87Å; S160-S163 VanDerWaalsContact O-N 3.16Å; E161-S163 VanDerWaalsContact C-N 3.26Å; E161-S163 PolarHBondContact O-N 3.04Å; S163-K194 PolarHBondContact O-NZ 2.7Å
164	F	74.9	Confident	74.4	Confident	174 Å²	174	62.3 Å²	62.3	76%	0.763	33%	0.334	S	S	*	.	H	α-helix	trans	-82.3	-22.5	178.7	-66.5	-65.1	0	0	0	114.6	S160 E161 V162	S160-F164 WeakPolarHBondContact O-CD2 3.32Å; S160-F164 PolarHBondContact O-N 3.1Å; E161-F164 PolarHBondContact O-N 2.68Å; E161-F164 VanDerWaalsContact O-N 3.11Å; V162-F164 VanDerWaalsContact C-N 3.34Å
165	M	77.3	Confident	76.6	Confident	35 Å²	35	64.2 Å²	64.2	17%	0.172	33%	0.329	C	S	.	.	S	Bend	trans	-59.1	145.8	178.4	-76	179	80.6	0	0	113.5	E161 V162 E169 C170 L173 K194 L197	E161-M165 WeakPolarHBondContact O-CG 3.32Å; E161-M165 PolarHBondContact O-N 2.74Å; V162-M165 HydrophobicContact CG2-SD 4.43Å; M165-E169 HydrophobicContact CE-CB 3.92Å; M165-C170 WeakPolarHBondContact CB-SG 3.35Å; M165-L173 HydrophobicContact CE-CB 4.44Å; M165-L173 HydrophobicContact CE-CD2 3.85Å; M165-L173 HydrophobicContact SD-CD2 4.33Å; M165-K194 PolarHBondContact O-NZ 3.07Å; M165-L197 HydrophobicContact SD-CD2 4.4Å
166	H	81.1	Confident	78.4	Confident	104 Å²	104	66.9 Å²	66.9	48%	0.481	35%	0.345	S	S	.	.			trans	-68.7	139.5	175.2	-172.3	-93.8	0	0	0	110	S168 E169 C170	H166-S168 VanDerWaalsContact C-N 3.26Å; H166-S168 PolarHBondContact CE1-OG 3.27Å; H166-S168 PolarHBondContact ND1-N 3.31Å; H166-S168 PolarHBondContact ND1-OG 2.87Å; H166-S168 PolarHBondContact O-N 3.48Å; H166-S168 VanDerWaalsContact O-N 3.11Å; H166-E169 HydrophobicContact CB-CB 4.48Å; H166-E169 HydrophobicContact CB-CG 4.01Å; H166-E169 PolarHBondContact N-OE2 3.19Å; H166-E169 WeakPolarHBondContact O-CA 3.45Å; H166-E169 VanDerWaalsContact O-CB 3.32Å; H166-E169 WeakPolarHBondContact O-CB 3.43Å; H166-E169 PolarHBondContact O-N 3.16Å; H166-C170 PolarHBondContact O-N 3.01Å; H166-C170 PolarHBondContact O-SG 2.96Å
167	P	79.4	Confident	79.8	Confident	13 Å²	13	66 Å²	66	8%	0.084	33%	0.333	C	S	.	.	H	α-helix	trans	-52	-37.4	-176.3	-23.8	22.5	0	0	0	115.6	Y171 V190 V316	P167-Y171 PolarHBondContact O-N 2.7Å; P167-Y171 VanDerWaalsContact O-N 3.17Å; P167-V190 HydrophobicContact CB-CG1 3.81Å; P167-V190 HydrophobicContact CB-CG2 4.1Å; P167-V190 HydrophobicContact CG-CG1 4.1Å; P167-V190 HydrophobicContact CG-CG2 4.48Å; P167-V316 HydrophobicContact CB-CB 4.46Å; P167-V316 HydrophobicContact CB-CG1 3.64Å; P167-V316 HydrophobicContact CG-CB 3.38Å; P167-V316 HydrophobicContact CG-CG1 3.06Å; P167-V316 HydrophobicContact CG-CG2 4.46Å
168	S	81.1	Confident	81.1	Confident	57 Å²	57	61.9 Å²	61.9	40%	0.399	31%	0.313	S	S	.	.	H	α-helix	trans	-67.6	-41.1	175.7	60.9	0	0	0	0	111.5	H166 C170 Y171 D172	H166-S168 VanDerWaalsContact C-N 3.26Å; H166-S168 PolarHBondContact CE1-OG 3.27Å; H166-S168 PolarHBondContact ND1-N 3.31Å; H166-S168 PolarHBondContact ND1-OG 2.87Å; H166-S168 PolarHBondContact O-N 3.48Å; H166-S168 VanDerWaalsContact O-N 3.11Å; S168-C170 VanDerWaalsContact C-N 3.34Å; S168-C170 PolarHBondContact O-N 3.45Å; S168-Y171 PolarHBondContact O-N 3.42Å; S168-Y171 VanDerWaalsContact O-N 3.17Å; S168-D172 WeakPolarHBondContact O-CB 3.5Å; S168-D172 PolarHBondContact O-N 3.39Å
169	E	85.8	Confident	82	Confident	102 Å²	102	62.9 Å²	62.9	48%	0.477	32%	0.324	S	S	.	.	H	α-helix	trans	-64.1	-40.5	176.8	-61	169.9	174.6	0	0	110.8	M165 H166 Y171 D172 L173	M165-E169 HydrophobicContact CE-CB 3.92Å; H166-E169 HydrophobicContact CB-CB 4.48Å; H166-E169 HydrophobicContact CB-CG 4.01Å; H166-E169 PolarHBondContact N-OE2 3.19Å; H166-E169 WeakPolarHBondContact O-CA 3.45Å; H166-E169 VanDerWaalsContact O-CB 3.32Å; H166-E169 WeakPolarHBondContact O-CB 3.43Å; H166-E169 PolarHBondContact O-N 3.16Å; E169-Y171 VanDerWaalsContact C-N 3.29Å; E169-Y171 PolarHBondContact O-N 3.03Å; E169-D172 PolarHBondContact O-N 3.43Å; E169-L173 VanDerWaalsContact O-CB 3.26Å; E169-L173 WeakPolarHBondContact O-CB 3.38Å; E169-L173 PolarHBondContact O-N 3.41Å
170	C	85.2	Confident	82.6	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-59.4	-42.1	173.8	-60.4	0	0	0	0	111.7	M165 H166 S168 L174 V193 K194 L197	M165-C170 WeakPolarHBondContact CB-SG 3.35Å; H166-C170 PolarHBondContact O-N 3.01Å; H166-C170 PolarHBondContact O-SG 2.96Å; S168-C170 VanDerWaalsContact C-N 3.34Å; S168-C170 PolarHBondContact O-N 3.45Å; C170-L174 VanDerWaalsContact O-CB 3.26Å; C170-L174 WeakPolarHBondContact O-CB 3.35Å; C170-L174 PolarHBondContact O-N 3.09Å; C170-V193 HydrophobicContact CB-CG1 4Å; C170-K194 HydrophobicContact CB-CG 4.29Å; C170-L197 HydrophobicContact CB-CD2 3.94Å
171	Y	86.1	Confident	83.1	Confident	12 Å²	12	63.4 Å²	63.4	5%	0.047	32%	0.324	C	S	.	.	H	α-helix	trans	-70.3	-42.4	178.1	-172.7	-96.1	0	0	0	112.1	P167 S168 E169 L173 L174 R175 A182 L185 P187 V193	P167-Y171 PolarHBondContact O-N 2.7Å; P167-Y171 VanDerWaalsContact O-N 3.17Å; S168-Y171 PolarHBondContact O-N 3.42Å; S168-Y171 VanDerWaalsContact O-N 3.17Å; E169-Y171 VanDerWaalsContact C-N 3.29Å; E169-Y171 PolarHBondContact O-N 3.03Å; Y171-L173 VanDerWaalsContact C-N 3.34Å; Y171-L174 PolarHBondContact O-N 3.39Å; Y171-R175 VanDerWaalsContact O-CB 3.27Å; Y171-R175 WeakPolarHBondContact O-CB 3.34Å; Y171-R175 PolarHBondContact O-N 3.22Å; Y171-A182 HydrophobicContact CE2-CB 4.2Å; Y171-A182 WeakPolarHBondContact CE2-O 3.49Å; Y171-A182 PolarHBondContact OH-O 3.1Å; Y171-L185 WeakPolarHBondContact CE2-O 3.36Å; Y171-P187 HydrophobicContact CD1-CB 4.07Å; Y171-P187 HydrophobicContact CD1-CG 3.77Å; Y171-P187 HydrophobicContact CD2-CB 3.95Å; Y171-P187 HydrophobicContact CD2-CG 3.9Å; Y171-P187 HydrophobicContact CE1-CB 4.43Å; Y171-P187 HydrophobicContact CE1-CG 3.64Å; Y171-P187 HydrophobicContact CE2-CB 4.32Å; Y171-P187 HydrophobicContact CE2-CG 3.78Å; Y171-P187 HydrophobicContact CG-CB 3.8Å; Y171-P187 HydrophobicContact CG-CG 3.89Å; Y171-V193 HydrophobicContact CD2-CG1 4.11Å; Y171-V193 HydrophobicContact CD2-CG2 3.87Å
172	D	88.2	Confident	83.5	Confident	65 Å²	65	58 Å²	58	35%	0.348	30%	0.3	S	S	.	.	H	α-helix	trans	-64.2	-40.1	178.3	-72.8	-37	0	0	0	111.3	S168 E169 R175 T176	S168-D172 WeakPolarHBondContact O-CB 3.5Å; S168-D172 PolarHBondContact O-N 3.39Å; E169-D172 PolarHBondContact O-N 3.43Å; D172-R175 PolarHBondContact O-N 3.14Å; D172-R175 IonicContact OD1-CZ 3.31Å; D172-R175 VanDerWaalsContact OD1-CZ 3.31Å; D172-R175 IonicContact OD1-NH1 3.57Å; D172-R175 IonicContact OD1-NH2 2.72Å; D172-R175 PolarHBondContact OD1-NH2 3.48Å; D172-T176 WeakPolarHBondContact O-CB 3.41Å; D172-T176 PolarHBondContact O-N 3.09Å; D172-T176 PolarHBondContact O-OG1 3.13Å
173	L	88.9	Confident	83.7	Confident	59 Å²	59	59.2 Å²	59.2	31%	0.309	31%	0.309	S	S	.	.	H	α-helix	trans	-66.7	-46	173.9	-174.7	58.7	0	0	0	111.2	M165 E169 Y171 R175 T176 L177 L197	M165-L173 HydrophobicContact CE-CB 4.44Å; M165-L173 HydrophobicContact CE-CD2 3.85Å; M165-L173 HydrophobicContact SD-CD2 4.33Å; E169-L173 VanDerWaalsContact O-CB 3.26Å; E169-L173 WeakPolarHBondContact O-CB 3.38Å; E169-L173 PolarHBondContact O-N 3.41Å; Y171-L173 VanDerWaalsContact C-N 3.34Å; L173-R175 VanDerWaalsContact C-N 3.31Å; L173-R175 PolarHBondContact O-N 3.14Å; L173-T176 WeakPolarHBondContact O-CB 3.4Å; L173-T176 PolarHBondContact O-N 3.37Å; L173-T176 VanDerWaalsContact O-N 3.1Å; L173-L177 HydrophobicContact CD1-CD1 4.02Å; L173-L177 HydrophobicContact CD1-CG 4.14Å; L173-L177 HydrophobicContact CG-CD1 3.95Å; L173-L177 HydrophobicContact CG-CG 4.44Å; L173-L177 WeakPolarHBondContact O-CG 3.38Å; L173-L177 PolarHBondContact O-N 3.29Å; L173-L197 HydrophobicContact CB-CD1 4.25Å; L173-L197 HydrophobicContact CB-CD2 4.45Å; L173-L197 HydrophobicContact CD2-CD1 3.83Å; L173-L197 HydrophobicContact CD2-CD2 4.06Å; L173-L197 HydrophobicContact CG-CD1 3.77Å
174	L	88.5	Confident	83.8	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59.6	-42.8	175.5	-179.3	62.9	0	0	0	111.5	C170 Y171 T176 L177 K178 V181 A182 L185 V193 A196 L197 V200	C170-L174 VanDerWaalsContact O-CB 3.26Å; C170-L174 WeakPolarHBondContact O-CB 3.35Å; C170-L174 PolarHBondContact O-N 3.09Å; Y171-L174 PolarHBondContact O-N 3.39Å; L174-T176 VanDerWaalsContact C-N 3.27Å; L174-T176 PolarHBondContact O-N 3.44Å; L174-L177 PolarHBondContact O-N 2.85Å; L174-K178 CarbonylContact O-C 3.56Å; L174-K178 PolarHBondContact O-N 2.86Å; L174-V181 HydrophobicContact CD1-CG1 4.48Å; L174-A182 HydrophobicContact CD2-CB 4.37Å; L174-A182 HydrophobicContact CG-CB 4.06Å; L174-L185 HydrophobicContact CD2-CD1 4.01Å; L174-V193 HydrophobicContact CD2-CG1 4.14Å; L174-A196 HydrophobicContact CD1-CB 4.11Å; L174-A196 HydrophobicContact CD2-CB 3.77Å; L174-L197 HydrophobicContact CB-CB 4.46Å; L174-L197 HydrophobicContact CB-CD1 4.49Å; L174-V200 HydrophobicContact CD1-CG2 4.07Å
175	R	89	Confident	84	Confident	117 Å²	117	54.5 Å²	54.5	44%	0.442	29%	0.286	S	S	.	.	H	α-helix	trans	-62.9	-34.5	176.2	-174.1	-178.7	66.5	-153.7	-12	112.1	Y171 D172 L173 P179 A182	Y171-R175 VanDerWaalsContact O-CB 3.27Å; Y171-R175 WeakPolarHBondContact O-CB 3.34Å; Y171-R175 PolarHBondContact O-N 3.22Å; D172-R175 PolarHBondContact O-N 3.14Å; D172-R175 IonicContact OD1-CZ 3.31Å; D172-R175 VanDerWaalsContact OD1-CZ 3.31Å; D172-R175 IonicContact OD1-NH1 3.57Å; D172-R175 IonicContact OD1-NH2 2.72Å; D172-R175 PolarHBondContact OD1-NH2 3.48Å; L173-R175 VanDerWaalsContact C-N 3.31Å; L173-R175 PolarHBondContact O-N 3.14Å; R175-P179 WeakPolarHBondContact O-CA 3.47Å; R175-P179 WeakPolarHBondContact O-CB 3.32Å; R175-A182 HydrophobicContact CB-CB 3.88Å; R175-A182 HydrophobicContact CG-CB 4.36Å
176	T	90.3	Very high	84	Confident	108 Å²	108	55.4 Å²	55.4	66%	0.663	29%	0.29	S	S	*	.	H	α-helix	trans	-72.2	-41	177.3	-56.4	0	0	0	0	111.5	D172 L173 L174	D172-T176 WeakPolarHBondContact O-CB 3.41Å; D172-T176 PolarHBondContact O-N 3.09Å; D172-T176 PolarHBondContact O-OG1 3.13Å; L173-T176 WeakPolarHBondContact O-CB 3.4Å; L173-T176 PolarHBondContact O-N 3.37Å; L173-T176 VanDerWaalsContact O-N 3.1Å; L174-T176 VanDerWaalsContact C-N 3.27Å; L174-T176 PolarHBondContact O-N 3.44Å
177	L	88.4	Confident	84	Confident	79 Å²	79	51.4 Å²	51.4	41%	0.414	27%	0.273	S	S	.	.	H	α-helix	trans	-82.4	-43.6	-176.6	-63.7	174.8	0	0	0	113.5	L173 L174 L197 V200 L201	L173-L177 HydrophobicContact CD1-CD1 4.02Å; L173-L177 HydrophobicContact CD1-CG 4.14Å; L173-L177 HydrophobicContact CG-CD1 3.95Å; L173-L177 HydrophobicContact CG-CG 4.44Å; L173-L177 WeakPolarHBondContact O-CG 3.38Å; L173-L177 PolarHBondContact O-N 3.29Å; L174-L177 PolarHBondContact O-N 2.85Å; L177-L197 HydrophobicContact CD1-CD1 3.94Å; L177-V200 HydrophobicContact CB-CG1 3.81Å; L177-V200 HydrophobicContact CD1-CG1 4.05Å; L177-L201 HydrophobicContact CD1-CD2 3.91Å
178	K	88.1	Confident	83.9	Confident	57 Å²	57	56.9 Å²	56.9	25%	0.248	30%	0.301	C	S	.	.			trans	-141.6	83.5	179.2	-71.4	-152.2	-172.4	175.1	0	111.2	L174 D180 V181 A182 V200 E203	L174-K178 CarbonylContact O-C 3.56Å; L174-K178 PolarHBondContact O-N 2.86Å; K178-D180 VanDerWaalsContact C-N 3.29Å; K178-D180 PolarHBondContact O-N 3.44Å; K178-V181 HydrophobicContact CB-CB 4.09Å; K178-V181 HydrophobicContact CB-CG2 4.03Å; K178-V181 HydrophobicContact CD-CG2 4Å; K178-V181 PolarHBondContact O-N 3.24Å; K178-A182 PolarHBondContact O-N 3.38Å; K178-V200 HydrophobicContact CB-CG2 4.19Å; K178-V200 HydrophobicContact CD-CG1 4.45Å; K178-V200 HydrophobicContact CD-CG2 3.56Å; K178-V200 HydrophobicContact CG-CG1 4.03Å; K178-V200 HydrophobicContact CG-CG2 3.77Å; K178-E203 IonicContact NZ-OE2 2.62Å; K178-E203 PolarHBondContact NZ-OE2 3.07Å
179	P	85.5	Confident	83.8	Confident	73 Å²	73	57.1 Å²	57.1	47%	0.474	30%	0.298	S	S	.	.	H	α-helix	trans	-63.5	-32	-175.4	23.4	-33.2	0	0	0	113.6	R175 A182 A183	R175-P179 WeakPolarHBondContact O-CA 3.47Å; R175-P179 WeakPolarHBondContact O-CB 3.32Å; P179-A182 PolarHBondContact O-N 3.33Å; P179-A183 WeakPolarHBondContact O-CB 3.33Å; P179-A183 PolarHBondContact O-N 3.16Å
180	D	80.9	Confident	83.5	Confident	84 Å²	84	53.2 Å²	53.2	45%	0.449	28%	0.281	S	S	.	.	H	α-helix	trans	-61.5	-48.6	175.1	61.2	-44.2	0	0	0	111.8	K178 A183	K178-D180 VanDerWaalsContact C-N 3.29Å; K178-D180 PolarHBondContact O-N 3.44Å; D180-A183 PolarHBondContact O-N 3.05Å
181	V	82.2	Confident	82.9	Confident	42 Å²	42	61.7 Å²	61.7	26%	0.255	31%	0.313	S	S	.	.	H	α-helix	trans	-66.2	-42.5	176	179.6	0	0	0	0	110.5	L174 K178 A183 Q184 L185 A196	L174-V181 HydrophobicContact CD1-CG1 4.48Å; K178-V181 HydrophobicContact CB-CB 4.09Å; K178-V181 HydrophobicContact CB-CG2 4.03Å; K178-V181 HydrophobicContact CD-CG2 4Å; K178-V181 PolarHBondContact O-N 3.24Å; V181-A183 VanDerWaalsContact C-N 3.34Å; V181-A183 PolarHBondContact O-N 3.08Å; V181-Q184 PolarHBondContact O-N 3.46Å; V181-L185 HydrophobicContact CG1-CD1 4.45Å; V181-A196 HydrophobicContact CG1-CB 3.98Å
182	A	83.3	Confident	82.5	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.008	33%	0.331	C	S	.	.	H	α-helix	trans	-62.5	-38	178.3	0	0	0	0	0	112.7	Y171 L174 R175 K178 P179 Q184 L185	Y171-A182 HydrophobicContact CE2-CB 4.2Å; Y171-A182 WeakPolarHBondContact CE2-O 3.49Å; Y171-A182 PolarHBondContact OH-O 3.1Å; L174-A182 HydrophobicContact CD2-CB 4.37Å; L174-A182 HydrophobicContact CG-CB 4.06Å; R175-A182 HydrophobicContact CB-CB 3.88Å; R175-A182 HydrophobicContact CG-CB 4.36Å; K178-A182 PolarHBondContact O-N 3.38Å; P179-A182 PolarHBondContact O-N 3.33Å; A182-Q184 PolarHBondContact O-N 3.41Å; A182-L185 PolarHBondContact O-N 3.45Å; A182-L185 VanDerWaalsContact O-N 3.13Å
183	A	80.7	Confident	82.2	Confident	25 Å²	25	62.7 Å²	62.7	21%	0.207	32%	0.315	C	S	.	.	H	α-helix	trans	-63.6	-30.4	179.7	0	0	0	0	0	112.7	P179 D180 V181 L185	P179-A183 WeakPolarHBondContact O-CB 3.33Å; P179-A183 PolarHBondContact O-N 3.16Å; D180-A183 PolarHBondContact O-N 3.05Å; V181-A183 VanDerWaalsContact C-N 3.34Å; V181-A183 PolarHBondContact O-N 3.08Å; A183-L185 VanDerWaalsContact C-N 3.31Å; A183-L185 PolarHBondContact O-N 2.64Å
184	Q	76	Confident	82	Confident	96 Å²	96	60.3 Å²	60.3	45%	0.449	30%	0.302	S	S	.	.	H	α-helix	trans	-77.7	-15.3	177.2	-61.4	-177.2	18.8	0	0	113.5	V181 A182	V181-Q184 PolarHBondContact O-N 3.46Å; A182-Q184 PolarHBondContact O-N 3.41Å
185	L	77.8	Confident	81.6	Confident	16 Å²	16	64.8 Å²	64.8	8%	0.084	32%	0.322	C	S	.	.	S	Bend	trans	-108.2	131.3	-175.9	-62.6	179.8	0	0	0	110.9	Y171 L174 V181 A182 A183 K192 V193 A196	Y171-L185 WeakPolarHBondContact CE2-O 3.36Å; L174-L185 HydrophobicContact CD2-CD1 4.01Å; V181-L185 HydrophobicContact CG1-CD1 4.45Å; A182-L185 PolarHBondContact O-N 3.45Å; A182-L185 VanDerWaalsContact O-N 3.13Å; A183-L185 VanDerWaalsContact C-N 3.31Å; A183-L185 PolarHBondContact O-N 2.64Å; L185-K192 HydrophobicContact CD1-CB 4.34Å; L185-K192 HydrophobicContact CD2-CB 3.93Å; L185-K192 HydrophobicContact CD2-CD 3.99Å; L185-V193 HydrophobicContact CB-CG2 4.24Å; L185-V193 HydrophobicContact CD1-CG2 4.43Å; L185-A196 HydrophobicContact CD1-CB 3.75Å
186	H	77.5	Confident	81.4	Confident	54 Å²	54	59.9 Å²	59.9	25%	0.25	31%	0.306	C	S	.	.			trans	-70.9	134.5	169.3	-173.9	-62	0	0	0	108.8	N188 N189 I484 T486	H186-N188 VanDerWaalsContact C-N 3.3Å; H186-N188 VanDerWaalsContact CE1-CG 3.5Å; H186-N188 PolarHBondContact CE1-ND2 3.29Å; H186-N188 WeakPolarHBondContact ND1-CB 3.4Å; H186-N188 PolarHBondContact ND1-N 2.92Å; H186-N188 PolarHBondContact O-N 3.46Å; H186-N189 WeakPolarHBondContact O-CA 3.34Å; H186-N189 VanDerWaalsContact O-CB 3.25Å; H186-N189 WeakPolarHBondContact O-CB 3.47Å; H186-N189 PolarHBondContact O-N 2.85Å; H186-I484 PolarHBondContact CD2-O 2.96Å; H186-I484 PolarHBondContact NE2-O 3.05Å; H186-I484 VanDerWaalsContact NE2-O 3.15Å; H186-T486 HydrophobicContact CB-CG2 4.25Å
187	P	80.6	Confident	81.2	Confident	19 Å²	19	54.8 Å²	54.8	12%	0.123	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-41.6	-177.9	-30.2	36.7	0	0	0	114.2	Y171 N189 I484	Y171-P187 HydrophobicContact CD1-CB 4.07Å; Y171-P187 HydrophobicContact CD1-CG 3.77Å; Y171-P187 HydrophobicContact CD2-CB 3.95Å; Y171-P187 HydrophobicContact CD2-CG 3.9Å; Y171-P187 HydrophobicContact CE1-CB 4.43Å; Y171-P187 HydrophobicContact CE1-CG 3.64Å; Y171-P187 HydrophobicContact CE2-CB 4.32Å; Y171-P187 HydrophobicContact CE2-CG 3.78Å; Y171-P187 HydrophobicContact CG-CB 3.8Å; Y171-P187 HydrophobicContact CG-CG 3.89Å; P187-N189 PolarHBondContact O-N 3.43Å; P187-N189 VanDerWaalsContact O-N 3.12Å; P187-I484 HydrophobicContact CB-CD1 4.28Å; P187-I484 HydrophobicContact CG-CD1 3.57Å
188	N	77.2	Confident	81	Confident	128 Å²	128	52.3 Å²	52.3	68%	0.684	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-3.6	175.1	-57.5	-5.4	0	0	0	114.9	H186 V190	H186-N188 VanDerWaalsContact C-N 3.3Å; H186-N188 VanDerWaalsContact CE1-CG 3.5Å; H186-N188 PolarHBondContact CE1-ND2 3.29Å; H186-N188 WeakPolarHBondContact ND1-CB 3.4Å; H186-N188 PolarHBondContact ND1-N 2.92Å; H186-N188 PolarHBondContact O-N 3.46Å; N188-V190 PolarHBondContact O-N 3.28Å
189	N	79.1	Confident	80.7	Confident	63 Å²	63	52.4 Å²	52.4	34%	0.337	27%	0.265	S	S	.	.			trans	-85.2	58.6	171.4	-160.1	-20.5	0	0	0	110.3	H186 P187 R191 K192 V193	H186-N189 WeakPolarHBondContact O-CA 3.34Å; H186-N189 VanDerWaalsContact O-CB 3.25Å; H186-N189 WeakPolarHBondContact O-CB 3.47Å; H186-N189 PolarHBondContact O-N 2.85Å; P187-N189 PolarHBondContact O-N 3.43Å; P187-N189 VanDerWaalsContact O-N 3.12Å; N189-R191 PolarHBondContact O-N 2.91Å; N189-R191 VanDerWaalsContact O-N 3.09Å; N189-K192 HydrophobicContact CB-CB 4.46Å; N189-K192 WeakPolarHBondContact ND2-CD 3.4Å; N189-K192 PolarHBondContact O-N 3.34Å; N189-K192 WeakPolarHBondContact OD1-CG 3.39Å; N189-V193 WeakPolarHBondContact O-CG2 3.39Å; N189-V193 PolarHBondContact O-N 2.94Å
190	V	79.6	Confident	80.7	Confident	20 Å²	20	49.6 Å²	49.6	12%	0.121	25%	0.247	C	C	.	.	H	α-helix	trans	-51.6	-42.6	-166.1	-164.8	0	0	0	0	112.4	P167 N188 K192 V193 K194 V316	P167-V190 HydrophobicContact CB-CG1 3.81Å; P167-V190 HydrophobicContact CB-CG2 4.1Å; P167-V190 HydrophobicContact CG-CG1 4.1Å; P167-V190 HydrophobicContact CG-CG2 4.48Å; N188-V190 PolarHBondContact O-N 3.28Å; V190-K192 VanDerWaalsContact C-N 3.35Å; V190-K192 PolarHBondContact O-N 3.29Å; V190-V193 PolarHBondContact O-N 3.44Å; V190-K194 HydrophobicContact CG1-CD 4.11Å; V190-K194 HydrophobicContact CG1-CG 4.07Å; V190-K194 WeakPolarHBondContact O-CB 3.47Å; V190-K194 WeakPolarHBondContact O-CG 3.37Å; V190-K194 PolarHBondContact O-N 2.97Å; V190-V316 VanDerWaalsContact CG1-O 3.24Å; V190-V316 WeakPolarHBondContact CG1-O 3.28Å; V190-V316 HydrophobicContact CG2-CG1 3.37Å
191	R	73.3	Confident	80.9	Confident	177 Å²	177	46.9 Å²	46.9	67%	0.668	23%	0.232	S	C	*	.	H	α-helix	trans	-59.9	-44.4	178.9	-177.8	178.1	174.9	170.5	0.4	112.1	N189 K195	N189-R191 PolarHBondContact O-N 2.91Å; N189-R191 VanDerWaalsContact O-N 3.09Å; R191-K195 VanDerWaalsContact O-CB 3.28Å; R191-K195 WeakPolarHBondContact O-CB 3.41Å; R191-K195 PolarHBondContact O-N 2.65Å
192	K	78.2	Confident	80.9	Confident	99 Å²	99	48.4 Å²	48.4	43%	0.43	23%	0.233	S	C	.	.	H	α-helix	trans	-71.7	-37.4	177.7	-69.6	-165.2	-176.1	-175.2	0	111.6	L185 N189 V190 A196	L185-K192 HydrophobicContact CD1-CB 4.34Å; L185-K192 HydrophobicContact CD2-CB 3.93Å; L185-K192 HydrophobicContact CD2-CD 3.99Å; N189-K192 HydrophobicContact CB-CB 4.46Å; N189-K192 WeakPolarHBondContact ND2-CD 3.4Å; N189-K192 PolarHBondContact O-N 3.34Å; N189-K192 WeakPolarHBondContact OD1-CG 3.39Å; V190-K192 VanDerWaalsContact C-N 3.35Å; V190-K192 PolarHBondContact O-N 3.29Å; K192-A196 VanDerWaalsContact O-CB 3.25Å; K192-A196 WeakPolarHBondContact O-CB 3.49Å; K192-A196 PolarHBondContact O-N 3.12Å
193	V	82.1	Confident	80.6	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-52.4	177.2	174.1	0	0	0	0	110.8	C170 Y171 L174 L185 N189 V190 K195 A196 L197	C170-V193 HydrophobicContact CB-CG1 4Å; Y171-V193 HydrophobicContact CD2-CG1 4.11Å; Y171-V193 HydrophobicContact CD2-CG2 3.87Å; L174-V193 HydrophobicContact CD2-CG1 4.14Å; L185-V193 HydrophobicContact CB-CG2 4.24Å; L185-V193 HydrophobicContact CD1-CG2 4.43Å; N189-V193 WeakPolarHBondContact O-CG2 3.39Å; N189-V193 PolarHBondContact O-N 2.94Å; V190-V193 PolarHBondContact O-N 3.44Å; V193-K195 VanDerWaalsContact C-N 3.34Å; V193-K195 PolarHBondContact O-N 2.87Å; V193-A196 PolarHBondContact O-N 3.18Å; V193-L197 WeakPolarHBondContact O-CB 3.12Å; V193-L197 PolarHBondContact O-N 3.33Å
194	K	83.7	Confident	80.2	Confident	8 Å²	8	54 Å²	54	4%	0.035	26%	0.261	C	S	.	.	H	α-helix	trans	-58.5	-44.1	176.1	-73.5	-167.6	176.9	-159.1	0	111.7	V162 S163 M165 C170 V190 L197 L198 S317	V162-K194 HydrophobicContact CG1-CB 3.85Å; V162-K194 HydrophobicContact CG1-CD 4.27Å; V162-K194 HydrophobicContact CG1-CG 3.87Å; V162-K194 WeakPolarHBondContact O-CD 3.26Å; V162-K194 VanDerWaalsContact O-CE 3.27Å; V162-K194 WeakPolarHBondContact O-CE 3.16Å; V162-K194 PolarHBondContact O-NZ 3.45Å; S163-K194 PolarHBondContact O-NZ 2.7Å; M165-K194 PolarHBondContact O-NZ 3.07Å; C170-K194 HydrophobicContact CB-CG 4.29Å; V190-K194 HydrophobicContact CG1-CD 4.11Å; V190-K194 HydrophobicContact CG1-CG 4.07Å; V190-K194 WeakPolarHBondContact O-CB 3.47Å; V190-K194 WeakPolarHBondContact O-CG 3.37Å; V190-K194 PolarHBondContact O-N 2.97Å; K194-L197 PolarHBondContact O-N 2.83Å; K194-L198 WeakPolarHBondContact O-CB 3.45Å; K194-L198 WeakPolarHBondContact O-CG 3.48Å; K194-L198 PolarHBondContact O-N 3.42Å; K194-S317 PolarHBondContact NZ-O 3.41Å
195	K	81.2	Confident	79.8	Confident	95 Å²	95	52.3 Å²	52.3	41%	0.413	26%	0.257	S	S	.	.	H	α-helix	trans	-61	-50.4	175.6	-179.9	172.6	179	171.7	0	111.8	R191 V193 L197 L198 D199	R191-K195 VanDerWaalsContact O-CB 3.28Å; R191-K195 WeakPolarHBondContact O-CB 3.41Å; R191-K195 PolarHBondContact O-N 2.65Å; V193-K195 VanDerWaalsContact C-N 3.34Å; V193-K195 PolarHBondContact O-N 2.87Å; K195-L197 VanDerWaalsContact C-N 3.27Å; K195-L197 PolarHBondContact O-N 2.78Å; K195-L198 PolarHBondContact O-N 2.88Å; K195-D199 VanDerWaalsContact O-CG 3.25Å; K195-D199 PolarHBondContact O-N 3.09Å
196	A	83.8	Confident	78.9	Confident	14 Å²	14	54 Å²	54	12%	0.116	26%	0.264	C	S	.	.	H	α-helix	trans	-60.3	-39.6	178.6	0	0	0	0	0	111.6	L174 V181 L185 K192 V193 D199 V200	L174-A196 HydrophobicContact CD1-CB 4.11Å; L174-A196 HydrophobicContact CD2-CB 3.77Å; V181-A196 HydrophobicContact CG1-CB 3.98Å; L185-A196 HydrophobicContact CD1-CB 3.75Å; K192-A196 VanDerWaalsContact O-CB 3.25Å; K192-A196 WeakPolarHBondContact O-CB 3.49Å; K192-A196 PolarHBondContact O-N 3.12Å; V193-A196 PolarHBondContact O-N 3.18Å; A196-D199 PolarHBondContact O-N 3.1Å; A196-V200 WeakPolarHBondContact O-CB 3.17Å; A196-V200 VanDerWaalsContact O-CG2 3.23Å; A196-V200 WeakPolarHBondContact O-CG2 3.4Å; A196-V200 PolarHBondContact O-N 3Å
197	L	86.2	Confident	77.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.5	-47.3	174.4	177.9	60.2	0	0	0	111.8	V162 M165 C170 L173 L174 L177 V193 K194 K195 D199 V200 L201	V162-L197 HydrophobicContact CG1-CD2 3.97Å; V162-L197 HydrophobicContact CG1-CG 4.46Å; V162-L197 HydrophobicContact CG2-CD2 4.01Å; V162-L197 HydrophobicContact CG2-CG 4.2Å; M165-L197 HydrophobicContact SD-CD2 4.4Å; C170-L197 HydrophobicContact CB-CD2 3.94Å; L173-L197 HydrophobicContact CB-CD1 4.25Å; L173-L197 HydrophobicContact CB-CD2 4.45Å; L173-L197 HydrophobicContact CD2-CD1 3.83Å; L173-L197 HydrophobicContact CD2-CD2 4.06Å; L173-L197 HydrophobicContact CG-CD1 3.77Å; L174-L197 HydrophobicContact CB-CB 4.46Å; L174-L197 HydrophobicContact CB-CD1 4.49Å; L177-L197 HydrophobicContact CD1-CD1 3.94Å; V193-L197 WeakPolarHBondContact O-CB 3.12Å; V193-L197 PolarHBondContact O-N 3.33Å; K194-L197 PolarHBondContact O-N 2.83Å; K195-L197 VanDerWaalsContact C-N 3.27Å; K195-L197 PolarHBondContact O-N 2.78Å; L197-D199 VanDerWaalsContact C-N 3.34Å; L197-D199 PolarHBondContact O-N 2.93Å; L197-V200 PolarHBondContact O-N 2.75Å; L197-L201 HydrophobicContact CD1-CD1 4.12Å; L197-L201 HydrophobicContact CD1-CG 4.12Å; L197-L201 HydrophobicContact CG-CD1 4.02Å; L197-L201 HydrophobicContact CG-CG 4.45Å; L197-L201 VanDerWaalsContact O-CG 3.29Å; L197-L201 WeakPolarHBondContact O-CG 3.37Å; L197-L201 PolarHBondContact O-N 3.13Å
198	L	84.5	Confident	76.3	Confident	27 Å²	27	63.1 Å²	63.1	14%	0.141	31%	0.309	C	S	.	.	H	α-helix	trans	-59.4	-44.3	175.5	-75.9	170.7	0	0	0	112.1	F158 D159 V162 K194 K195 V200 L201 R202	F158-L198 HydrophobicContact CB-CD2 3.99Å; F158-L198 WeakPolarHBondContact O-CD2 3.45Å; D159-L198 WeakPolarHBondContact OD1-CD2 3.42Å; V162-L198 HydrophobicContact CB-CD2 3.74Å; V162-L198 HydrophobicContact CB-CG 4.01Å; V162-L198 HydrophobicContact CG1-CD1 4.47Å; V162-L198 HydrophobicContact CG1-CD2 4.29Å; V162-L198 HydrophobicContact CG1-CG 3.99Å; V162-L198 HydrophobicContact CG2-CD2 3.59Å; V162-L198 HydrophobicContact CG2-CG 4.1Å; K194-L198 WeakPolarHBondContact O-CB 3.45Å; K194-L198 WeakPolarHBondContact O-CG 3.48Å; K194-L198 PolarHBondContact O-N 3.42Å; K195-L198 PolarHBondContact O-N 2.88Å; L198-V200 VanDerWaalsContact C-N 3.34Å; L198-V200 PolarHBondContact O-N 3.17Å; L198-L201 PolarHBondContact O-N 2.71Å; L198-R202 WeakPolarHBondContact O-CB 3.42Å; L198-R202 WeakPolarHBondContact O-CD 3.32Å; L198-R202 WeakPolarHBondContact O-CG 3.09Å; L198-R202 PolarHBondContact O-N 2.99Å
199	D	82.4	Confident	74.9	Confident	59 Å²	59	62.6 Å²	62.6	32%	0.316	31%	0.311	S	S	.	.	H	α-helix	trans	-61.2	-43.4	177.8	-67.1	-23	0	0	0	110.5	K195 A196 L197 R202 E203	K195-D199 VanDerWaalsContact O-CG 3.25Å; K195-D199 PolarHBondContact O-N 3.09Å; A196-D199 PolarHBondContact O-N 3.1Å; L197-D199 VanDerWaalsContact C-N 3.34Å; L197-D199 PolarHBondContact O-N 2.93Å; D199-R202 PolarHBondContact O-N 2.71Å; D199-E203 WeakPolarHBondContact O-CG 3.22Å; D199-E203 PolarHBondContact O-N 2.95Å
200	V	84.5	Confident	73.3	Confident	15 Å²	15	64.1 Å²	64.1	9%	0.091	32%	0.315	C	S	.	.	H	α-helix	trans	-64.1	-44.5	175.9	170.8	0	0	0	0	112.6	L174 L177 K178 A196 L197 L198 R202 E203 S204	L174-V200 HydrophobicContact CD1-CG2 4.07Å; L177-V200 HydrophobicContact CB-CG1 3.81Å; L177-V200 HydrophobicContact CD1-CG1 4.05Å; K178-V200 HydrophobicContact CB-CG2 4.19Å; K178-V200 HydrophobicContact CD-CG1 4.45Å; K178-V200 HydrophobicContact CD-CG2 3.56Å; K178-V200 HydrophobicContact CG-CG1 4.03Å; K178-V200 HydrophobicContact CG-CG2 3.77Å; A196-V200 WeakPolarHBondContact O-CB 3.17Å; A196-V200 VanDerWaalsContact O-CG2 3.23Å; A196-V200 WeakPolarHBondContact O-CG2 3.4Å; A196-V200 PolarHBondContact O-N 3Å; L197-V200 PolarHBondContact O-N 2.75Å; L198-V200 VanDerWaalsContact C-N 3.34Å; L198-V200 PolarHBondContact O-N 3.17Å; V200-R202 VanDerWaalsContact C-N 3.34Å; V200-R202 PolarHBondContact O-N 2.92Å; V200-E203 PolarHBondContact O-N 3.43Å; V200-S204 PolarHBondContact O-N 3.48Å; V200-S204 VanDerWaalsContact O-N 3.1Å
201	L	86	Confident	71.6	Confident	26 Å²	26	69 Å²	69	14%	0.136	35%	0.346	C	S	.	.	H	α-helix	trans	-63.6	-41.3	178	-69.3	172.6	0	0	0	111	F158 V162 L177 L197 L198 S204 V205	F158-L201 HydrophobicContact CD1-CB 4.28Å; F158-L201 HydrophobicContact CD1-CD1 4.21Å; V162-L201 HydrophobicContact CG2-CD1 3.71Å; L177-L201 HydrophobicContact CD1-CD2 3.91Å; L197-L201 HydrophobicContact CD1-CD1 4.12Å; L197-L201 HydrophobicContact CD1-CG 4.12Å; L197-L201 HydrophobicContact CG-CD1 4.02Å; L197-L201 HydrophobicContact CG-CG 4.45Å; L197-L201 VanDerWaalsContact O-CG 3.29Å; L197-L201 WeakPolarHBondContact O-CG 3.37Å; L197-L201 PolarHBondContact O-N 3.13Å; L198-L201 PolarHBondContact O-N 2.71Å; L201-S204 PolarHBondContact O-N 2.99Å; L201-S204 PolarHBondContact O-OG 3.48Å; L201-V205 PolarHBondContact O-N 3.09Å
202	R	80.6	Confident	70.2	Confident	74 Å²	74	69.7 Å²	69.7	28%	0.279	36%	0.357	S	S	.	.	H	α-helix	trans	-64.7	-42.3	176.8	-71.8	166.3	-177.9	-170.8	-3.9	112.4	D159 L198 D199 V200 S204 V205 Q206	D159-R202 VanDerWaalsContact CG-NH2 3.28Å; D159-R202 IonicContact OD1-CZ 3.65Å; D159-R202 IonicContact OD1-NE 3.9Å; D159-R202 IonicContact OD1-NH2 2.7Å; D159-R202 PolarHBondContact OD1-NH2 3.42Å; D159-R202 IonicContact OD2-NH2 3.07Å; D159-R202 PolarHBondContact OD2-NH2 3.15Å; L198-R202 WeakPolarHBondContact O-CB 3.42Å; L198-R202 WeakPolarHBondContact O-CD 3.32Å; L198-R202 WeakPolarHBondContact O-CG 3.09Å; L198-R202 PolarHBondContact O-N 2.99Å; D199-R202 PolarHBondContact O-N 2.71Å; V200-R202 VanDerWaalsContact C-N 3.34Å; V200-R202 PolarHBondContact O-N 2.92Å; R202-S204 VanDerWaalsContact C-N 3.28Å; R202-S204 PolarHBondContact O-N 2.92Å; R202-V205 PolarHBondContact O-N 3.14Å; R202-Q206 PolarHBondContact O-N 3.25Å
203	E	77.3	Confident	68.7	Low	86 Å²	86	71.7 Å²	71.7	40%	0.402	37%	0.371	S	S	.	.	H	α-helix	trans	-58.9	-41.2	174.3	-76.6	176.7	-176.5	0	0	111.4	K178 D199 V200 V205 Q206 T207	K178-E203 IonicContact NZ-OE2 2.62Å; K178-E203 PolarHBondContact NZ-OE2 3.07Å; D199-E203 WeakPolarHBondContact O-CG 3.22Å; D199-E203 PolarHBondContact O-N 2.95Å; V200-E203 PolarHBondContact O-N 3.43Å; E203-V205 PolarHBondContact O-N 3.05Å; E203-Q206 PolarHBondContact O-N 3.46Å; E203-Q206 VanDerWaalsContact O-N 3.13Å; E203-T207 PolarHBondContact O-N 3.06Å; E203-T207 PolarHBondContact O-OG1 3.34Å; E203-T207 VanDerWaalsContact O-OG1 3.1Å
204	S	72.8	Confident	66.6	Low	57 Å²	57	75.8 Å²	75.8	40%	0.399	39%	0.393	S	S	.	.	H	α-helix	trans	-62.1	-29.2	179.8	80.8	0	0	0	0	113.8	V200 L201 R202 T207	V200-S204 PolarHBondContact O-N 3.48Å; V200-S204 VanDerWaalsContact O-N 3.1Å; L201-S204 PolarHBondContact O-N 2.99Å; L201-S204 PolarHBondContact O-OG 3.48Å; R202-S204 VanDerWaalsContact C-N 3.28Å; R202-S204 PolarHBondContact O-N 2.92Å; S204-T207 WeakPolarHBondContact CA-OG1 3.5Å; S204-T207 PolarHBondContact O-OG1 3.45Å
205	V	67.2	Low	64.6	Low	62 Å²	62	84.2 Å²	84.2	38%	0.376	43%	0.433	S	S	.	.	H	α-helix	trans	-76.8	-41.4	175.2	178.9	0	0	0	0	111	F158 L201 R202 E203 K208	F158-V205 HydrophobicContact CE2-CG2 3.67Å; F158-V205 HydrophobicContact CZ-CG2 3.72Å; L201-V205 PolarHBondContact O-N 3.09Å; R202-V205 PolarHBondContact O-N 3.14Å; E203-V205 PolarHBondContact O-N 3.05Å; V205-K208 PolarHBondContact O-N 3.48Å
206	Q	58.7	Low	62.7	Low	50 Å²	50	90.4 Å²	90.4	23%	0.234	46%	0.455	C	S	.	.	H	α-helix	trans	-69.7	-32.5	179.4	-67.4	179.6	3.9	0	0	112.5	A150 R202 E203 K208 T209 Q210	A150-Q206 VanDerWaalsContact CB-NE2 3.33Å; R202-Q206 PolarHBondContact O-N 3.25Å; E203-Q206 PolarHBondContact O-N 3.46Å; E203-Q206 VanDerWaalsContact O-N 3.13Å; Q206-K208 PolarHBondContact O-N 3.38Å; Q206-T209 PolarHBondContact O-N 2.94Å; Q206-T209 VanDerWaalsContact O-N 3.13Å; Q206-T209 PolarHBondContact O-OG1 3.39Å; Q206-Q210 PolarHBondContact O-N 3.4Å
207	T	55.6	Low	60.9	Low	86 Å²	86	94 Å²	94	53%	0.528	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-18.8	175.4	44.6	0	0	0	0	113.9	E203 S204 T209	E203-T207 PolarHBondContact O-N 3.06Å; E203-T207 PolarHBondContact O-OG1 3.34Å; E203-T207 VanDerWaalsContact O-OG1 3.1Å; S204-T207 WeakPolarHBondContact CA-OG1 3.5Å; S204-T207 PolarHBondContact O-OG1 3.45Å; T207-T209 VanDerWaalsContact C-N 3.34Å
208	K	48.8	Very low	58.5	Low	179 Å²	179	101.3 Å²	101.3	78%	0.778	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-15	174.2	-72.6	-178.5	178.1	176	0	113.6	V205 Q206	V205-K208 PolarHBondContact O-N 3.48Å; Q206-K208 PolarHBondContact O-N 3.38Å
209	T	46.4	Very low	56.1	Low	118 Å²	118	107.9 Å²	107.9	72%	0.724	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	-8.1	-178	33.1	0	0	0	0	114.4	Q206 T207	Q206-T209 PolarHBondContact O-N 2.94Å; Q206-T209 VanDerWaalsContact O-N 3.13Å; Q206-T209 PolarHBondContact O-OG1 3.39Å; T207-T209 VanDerWaalsContact C-N 3.34Å
210	Q	45.4	Very low	54	Low	94 Å²	94	108.4 Å²	108.4	44%	0.439	55%	0.553	S	S	.	*			trans	-115.7	28.3	-174.9	-81.5	170.6	-3.8	0	0	114.7	Q206 E212 L213	Q206-Q210 PolarHBondContact O-N 3.4Å; Q210-E212 PolarHBondContact O-N 2.85Å; Q210-L213 PolarHBondContact O-N 3.28Å
211	T	45.1	Very low	52	Low	124 Å²	124	110.6 Å²	110.6	76%	0.761	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	3.3	175.3	-22.5	0	0	0	0	114.3
212	E	43.3	Very low	49.7	Very low	191 Å²	191	115.6 Å²	115.6	89%	0.893	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.9	8.7	-176.3	-65.2	-176	161	0	0	115.3	Q210	Q210-E212 PolarHBondContact O-N 2.85Å
213	L	46.7	Very low	47.6	Very low	141 Å²	141	120.4 Å²	120.4	74%	0.738	62%	0.616	S	S	*	*	S	Bend	trans	-133.1	4.1	-175.4	-105.9	127.2	0	0	0	117.1	Q210 E215	Q210-L213 PolarHBondContact O-N 3.28Å; L213-E215 PolarHBondContact O-N 3.12Å
214	N	38.9	Very low	45.9	Very low	86 Å²	86	122.5 Å²	122.5	46%	0.46	62%	0.624	S	S	.	*	G	3₁₀ helix	trans	-91.2	10.2	-167.6	-77	-21.1	0	0	0	117	Y216	N214-Y216 VanDerWaalsContact C-N 3.33Å; N214-Y216 PolarHBondContact O-N 3.47Å
215	E	40.3	Very low	44.4	Very low	185 Å²	185	125.4 Å²	125.4	86%	0.864	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-79.2	2.1	-179.1	-92.7	-174.5	164.6	0	0	116.3	L213	L213-E215 PolarHBondContact O-N 3.12Å
216	Y	42.5	Very low	43.1	Very low	224 Å²	224	127.6 Å²	127.6	88%	0.878	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-119.1	0.2	-175.3	-90.4	-89	0	0	0	116.9	N214	N214-Y216 VanDerWaalsContact C-N 3.33Å; N214-Y216 PolarHBondContact O-N 3.47Å
217	I	45.7	Very low	42.6	Very low	91 Å²	91	129 Å²	129	47%	0.467	65%	0.653	S	S	.	*	S	Bend	trans	-113.2	-10.1	-172.6	-60.7	177.6	0	0	0	113.4	N219 D221	I217-N219 VanDerWaalsContact C-N 3.31Å; I217-N219 PolarHBondContact O-N 2.88Å; I217-D221 WeakPolarHBondContact CG2-OD2 3.43Å
218	E	35.6	Very low	42.7	Very low	152 Å²	152	129.9 Å²	129.9	71%	0.71	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-1.6	-163.2	-76.8	-170.3	153	0	0	118.1
219	N	34.7	Very low	43.5	Very low	166 Å²	166	125 Å²	125	89%	0.888	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.9	2.1	-176.2	-72.2	-52.7	0	0	0	116.9	I217	I217-N219 VanDerWaalsContact C-N 3.31Å; I217-N219 PolarHBondContact O-N 2.88Å
220	A	38.1	Very low	44.8	Very low	69 Å²	69	119.8 Å²	119.8	57%	0.57	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.9	-8.5	-175.2	0	0	0	0	0	115.9
221	D	42.1	Very low	46.2	Very low	62 Å²	62	119.1 Å²	119.1	33%	0.332	60%	0.598	S	S	.	*	S	Bend	trans	-104.8	-8.1	-171.5	-81.3	-20.7	0	0	0	115.1	I217 K224	I217-D221 WeakPolarHBondContact CG2-OD2 3.43Å; D221-K224 PolarHBondContact O-N 2.9Å; D221-K224 IonicContact OD1-NZ 2.68Å; D221-K224 PolarHBondContact OD1-NZ 3.36Å
222	L	36.8	Very low	48.1	Very low	131 Å²	131	118.4 Å²	118.4	69%	0.686	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-31.4	177.8	-80.2	159.9	0	0	0	113.1
223	E	37.4	Very low	50.3	Low	175 Å²	175	110 Å²	110	82%	0.818	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-28.1	176.5	-72.1	-173.5	161.7	0	0	113
224	K	42.5	Very low	52.4	Low	130 Å²	130	105.3 Å²	105.3	57%	0.565	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-75.2	-26.3	-178.6	-67.7	179.4	-162.8	147.3	0	113	D221 V226	D221-K224 PolarHBondContact O-N 2.9Å; D221-K224 IonicContact OD1-NZ 2.68Å; D221-K224 PolarHBondContact OD1-NZ 3.36Å; K224-V226 PolarHBondContact O-N 3.48Å
225	Q	40.6	Very low	54.9	Low	117 Å²	117	101.9 Å²	101.9	55%	0.547	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-71	-19.1	-179	-74.3	-175.7	-1.8	0	0	113.6	L227	Q225-L227 VanDerWaalsContact C-N 3.27Å; Q225-L227 PolarHBondContact O-N 3.13Å
226	V	39.6	Very low	57.1	Low	109 Å²	109	97.9 Å²	97.9	66%	0.661	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-74.4	-18.8	-175.7	-175.4	0	0	0	0	112.3	K224	K224-V226 PolarHBondContact O-N 3.48Å
227	L	49.3	Very low	59	Low	78 Å²	78	91.5 Å²	91.5	41%	0.408	49%	0.492	S	S	.	.			trans	-122.4	112.4	179.5	-66.3	167.7	0	0	0	109.9	Q225 R229	Q225-L227 VanDerWaalsContact C-N 3.27Å; Q225-L227 PolarHBondContact O-N 3.13Å; L227-R229 HydrophobicContact CB-CB 4.31Å; L227-R229 HydrophobicContact CB-CG 4.49Å; L227-R229 PolarHBondContact O-N 3.35Å
228	N	56.8	Low	61	Low	105 Å²	105	87.6 Å²	87.6	56%	0.561	47%	0.474	S	S	*	.	S	Bend	trans	-65.7	47.7	166.6	-103.3	-54.1	0	0	0	111.7	R379	N228-R379 PolarHBondContact O-NH1 2.69Å; N228-R379 PolarHBondContact O-NH2 2.95Å
229	R	64.9	Low	63.8	Low	78 Å²	78	80.9 Å²	80.9	29%	0.294	44%	0.444	S	S	.	.	S	Bend	trans	-144.7	138.5	-170.6	-58.8	-175.1	-175.2	-175	5.4	109.5	L227 R382	L227-R229 HydrophobicContact CB-CB 4.31Å; L227-R229 HydrophobicContact CB-CG 4.49Å; L227-R229 PolarHBondContact O-N 3.35Å; R229-R382 PolarHBondContact NH1-O 3.44Å
230	S	74.9	Confident	66.7	Low	8 Å²	8	73.1 Å²	73.1	6%	0.056	40%	0.403	C	S	.	.			trans	-65	155.3	164.5	-79.3	0	0	0	0	111.7	W141 D143 F144 R383	W141-S230 VanDerWaalsContact CB-CB 3.45Å; D143-S230 VanDerWaalsContact OD1-CA 3.22Å; D143-S230 WeakPolarHBondContact OD1-CA 3.22Å; D143-S230 WeakPolarHBondContact OD1-CB 3.21Å; D143-S230 PolarHBondContact OD1-OG 2.96Å; F144-S230 WeakPolarHBondContact CA-OG 3.06Å; F144-S230 WeakPolarHBondContact CB-OG 3.49Å; F144-S230 WeakPolarHBondContact CD2-OG 3.42Å; F144-S230 PolarHBondContact N-OG 3.42Å; F144-S230 VanDerWaalsContact N-OG 3.16Å; S230-R383 VanDerWaalsContact CB-NH1 3.28Å; S230-R383 PolarHBondContact O-NH1 3.13Å
231	I	75.5	Confident	69.5	Low	80 Å²	80	69.9 Å²	69.9	41%	0.41	38%	0.376	S	S	.	.			trans	-134.5	-46.6	179.6	-56.2	178.2	0	0	0	109.7	W141 D143 P233	W141-I231 PolarHBondContact NE1-O 3.09Å; D143-I231 PolarHBondContact OD1-N 3.43Å; D143-I231 PolarHBondContact OD2-N 3.49Å; I231-P233 VanDerWaalsContact O-CD 3.23Å; I231-P233 WeakPolarHBondContact O-CD 3.29Å
232	K	83.8	Confident	72.1	Confident	108 Å²	108	66.9 Å²	66.9	47%	0.47	36%	0.36	S	S	.	.	S	Bend	trans	-74.6	111.9	-173.5	-169.5	-177.1	-177.8	-159.4	0	112.1	W141 E142 D143	W141-K232 CarbonylContact C-O 3.58Å; W141-K232 WeakPolarHBondContact CA-O 3.38Å; E142-K232 HydrophobicContact CB-CD 4.25Å; E142-K232 HydrophobicContact CB-CG 4.41Å; E142-K232 PolarHBondContact N-O 3.07Å; E142-K232 IonicContact OE1-NZ 3.42Å; E142-K232 PolarHBondContact OE1-NZ 3.27Å; E142-K232 WeakPolarHBondContact OE2-CD 3.37Å; E142-K232 WeakPolarHBondContact OE2-CE 3.46Å; E142-K232 IonicContact OE2-NZ 3.61Å; E142-K232 PolarHBondContact OE2-NZ 3.33Å; D143-K232 HydrophobicContact CB-CB 4.47Å; D143-K232 PolarHBondContact OD2-N 3.47Å
233	P	89.4	Confident	75	Confident	14 Å²	14	61 Å²	61	9%	0.091	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-62.9	139.9	172.2	-17.9	30.8	0	0	0	110.9	L140 I231 Y235 G387 I389	L140-P233 WeakPolarHBondContact O-CA 3.33Å; I231-P233 VanDerWaalsContact O-CD 3.23Å; I231-P233 WeakPolarHBondContact O-CD 3.29Å; P233-Y235 VanDerWaalsContact C-N 3.28Å; P233-G387 WeakPolarHBondContact CD-O 3.39Å; P233-G387 WeakPolarHBondContact CG-O 3.49Å; P233-I389 HydrophobicContact CB-CD1 4.02Å; P233-I389 HydrophobicContact CB-CG1 3.71Å; P233-I389 HydrophobicContact CG-CG1 3.95Å
234	R	92.1	Very high	77.8	Confident	43 Å²	43	52.6 Å²	52.6	16%	0.162	29%	0.289	C	S	.	.	S	Bend	trans	-69.4	-29.1	173.4	-172.2	174.9	-56.1	-72.1	0.2	112.5	L112 A138 I139 L140 W141 E142 P236	L112-R234 VanDerWaalsContact CD2-CD 3.42Å; A138-R234 PolarHBondContact O-NH2 3.02Å; I139-R234 WeakPolarHBondContact O-CD 3.48Å; I139-R234 PolarHBondContact O-NE 3.47Å; L140-R234 WeakPolarHBondContact O-CB 3.25Å; L140-R234 PolarHBondContact O-N 3.09Å; W141-R234 PolarHBondContact O-NH2 3.42Å; E142-R234 HydrophobicContact CB-CB 4.43Å; R234-P236 VanDerWaalsContact C-CD 3.5Å; R234-P236 WeakPolarHBondContact O-CD 3.07Å
235	Y	91.2	Very high	80.3	Confident	15 Å²	15	46.7 Å²	46.7	6%	0.059	26%	0.264	C	S	.	.	S	Bend	trans	-122.8	74.4	-179.8	-51.7	-62.3	0	0	0	110.2	V33 I115 E116 L140 P233 G237 G238 S239	V33-Y235 HydrophobicContact CB-CD2 4.01Å; V33-Y235 HydrophobicContact CB-CE2 4.28Å; V33-Y235 HydrophobicContact CG1-CE2 4.43Å; V33-Y235 HydrophobicContact CG2-CD1 4.5Å; V33-Y235 HydrophobicContact CG2-CD2 3.64Å; V33-Y235 HydrophobicContact CG2-CE2 3.67Å; V33-Y235 HydrophobicContact CG2-CG 4.05Å; I115-Y235 WeakPolarHBondContact CG2-OH 3.45Å; E116-Y235 WeakPolarHBondContact OE1-CE1 3.34Å; E116-Y235 PolarHBondContact OE1-OH 2.86Å; L140-Y235 HydrophobicContact CD2-CD2 4.38Å; P233-Y235 VanDerWaalsContact C-N 3.28Å; Y235-G237 PolarHBondContact O-N 3.24Å; Y235-G238 CarbonylContact O-C 3.49Å; Y235-G238 PolarHBondContact O-N 3.28Å; Y235-S239 PolarHBondContact O-N 3.44Å; Y235-S239 PolarHBondContact O-OG 3.35Å; Y235-S239 VanDerWaalsContact O-OG 3.1Å
236	P	85.6	Confident	82.9	Confident	101 Å²	101	41.7 Å²	41.7	66%	0.656	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	122.9	-179	-23.2	33.8	0	0	0	111.3	R234 G238	R234-P236 VanDerWaalsContact C-CD 3.5Å; R234-P236 WeakPolarHBondContact O-CD 3.07Å; P236-G238 PolarHBondContact O-N 3.01Å
237	G	82.5	Confident	85.4	Confident	89 Å²	89	38.3 Å²	38.3	92%	0.918	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.7	3.2	-175.8	0	0	0	0	0	115.3	Y235	Y235-G237 PolarHBondContact O-N 3.24Å
238	G	88.8	Confident	87.4	Confident	10 Å²	10	38.4 Å²	38.4	10%	0.103	23%	0.232	C	C	.	.	S	Bend	trans	-124.1	25	-175.8	0	0	0	0	0	112.8	P32 V33 Y235 P236	P32-G238 CarbonylContact C-O 3.57Å; P32-G238 VanDerWaalsContact CA-O 3.25Å; P32-G238 WeakPolarHBondContact CA-O 3.39Å; V33-G238 PolarHBondContact N-O 3.47Å; Y235-G238 CarbonylContact O-C 3.49Å; Y235-G238 PolarHBondContact O-N 3.28Å; P236-G238 PolarHBondContact O-N 3.01Å
239	S	93.5	Very high	89.2	Confident	11 Å²	11	38.4 Å²	38.4	8%	0.077	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	150.4	174	52	0	0	0	0	111.7	V33 Y235	V33-S239 VanDerWaalsContact O-CA 3.24Å; V33-S239 WeakPolarHBondContact O-CA 3.48Å; Y235-S239 PolarHBondContact O-N 3.44Å; Y235-S239 PolarHBondContact O-OG 3.35Å; Y235-S239 VanDerWaalsContact O-OG 3.1Å
240	L	94.8	Very high	90.7	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.016	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	155.6	172.5	68.6	89.9	0	0	0	111	V33 I34 A35 L242 P390 Y392 L419 E423	V33-L240 PolarHBondContact O-N 3.44Å; V33-L240 VanDerWaalsContact O-N 3.08Å; I34-L240 HydrophobicContact CD1-CD1 4.06Å; I34-L240 HydrophobicContact CD1-CD2 3.58Å; I34-L240 HydrophobicContact CD1-CG 3.61Å; I34-L240 HydrophobicContact CG2-CD1 4.08Å; A35-L240 PolarHBondContact N-O 2.88Å; L240-L242 HydrophobicContact CD1-CD2 3.68Å; L240-L242 HydrophobicContact CD1-CG 3.79Å; L240-P390 HydrophobicContact CB-CG 4.06Å; L240-Y392 HydrophobicContact CB-CD2 4.45Å; L240-Y392 HydrophobicContact CB-CE2 4.1Å; L240-Y392 HydrophobicContact CD1-CD2 4.41Å; L240-L419 HydrophobicContact CD1-CD2 3.83Å; L240-L419 HydrophobicContact CD2-CD2 3.56Å; L240-L419 HydrophobicContact CG-CD2 4.35Å; L240-E423 HydrophobicContact CD2-CB 4.34Å; L240-E423 HydrophobicContact CD2-CG 3.7Å
241	I	96.5	Very high	91.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120.3	179.1	-63	164.7	0	0	0	109.2	A35 C37 L140 W141 F380 I389 P390 V391 Y392	A35-I241 HydrophobicContact CB-CG1 4.1Å; A35-I241 CarbonylContact O-C 3.57Å; A35-I241 WeakPolarHBondContact O-CA 3.42Å; C37-I241 HydrophobicContact CB-CG2 4.33Å; C37-I241 WeakPolarHBondContact SG-CG2 3.48Å; L140-I241 HydrophobicContact CD1-CD1 3.84Å; L140-I241 HydrophobicContact CD1-CG1 3.75Å; W141-I241 HydrophobicContact CH2-CD1 3.88Å; I241-F380 HydrophobicContact CD1-CD2 4.43Å; I241-F380 HydrophobicContact CD1-CG 4.43Å; I241-I389 HydrophobicContact CD1-CB 4.34Å; I241-I389 HydrophobicContact CD1-CG2 3.88Å; I241-I389 HydrophobicContact CG1-CG2 3.83Å; I241-P390 PolarHBondContact N-O 3.3Å; I241-V391 HydrophobicContact CB-CB 4.5Å; I241-V391 HydrophobicContact CB-CG1 4.42Å; I241-V391 HydrophobicContact CB-CG2 4.15Å; I241-V391 HydrophobicContact CD1-CG2 4.1Å; I241-V391 HydrophobicContact CG2-CG1 4.14Å; I241-V391 HydrophobicContact CG2-CG2 4.46Å; I241-V391 CarbonylContact O-C 3.49Å; I241-V391 WeakPolarHBondContact O-CA 3.48Å; I241-Y392 PolarHBondContact O-N 3.23Å
242	L	97.9	Very high	92.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	116.4	165.1	-57.4	-179.3	0	0	0	108.4	I34 A35 I36 C37 L47 L51 L240 T416 L419 I420	I34-L242 HydrophobicContact CG2-CD1 4.12Å; I34-L242 HydrophobicContact CG2-CG 4.4Å; A35-L242 PolarHBondContact O-N 3.42Å; I36-L242 WeakPolarHBondContact CA-O 3.47Å; I36-L242 HydrophobicContact CG1-CB 4.41Å; I36-L242 HydrophobicContact CG1-CD1 4.28Å; C37-L242 PolarHBondContact N-O 2.82Å; L47-L242 HydrophobicContact CD2-CD1 4.32Å; L51-L242 HydrophobicContact CD1-CD1 3.79Å; L240-L242 HydrophobicContact CD1-CD2 3.68Å; L240-L242 HydrophobicContact CD1-CG 3.79Å; L242-T416 HydrophobicContact CD1-CG2 3.93Å; L242-T416 HydrophobicContact CD2-CG2 4.33Å; L242-L419 HydrophobicContact CD2-CD1 4.21Å; L242-L419 HydrophobicContact CD2-CD2 4.15Å; L242-I420 HydrophobicContact CD1-CD1 4.24Å
243	W	97	Very high	93.3	Very high	6 Å²	6	31.7 Å²	31.7	2%	0.023	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	107.3	176.1	171.8	23.9	0	0	0	110	D245 V373 I376 R377 L381 V391 Y392 R393 I394	W243-D245 HydrophobicContact CD2-CB 4.26Å; W243-D245 HydrophobicContact CH2-CB 4.37Å; W243-D245 HydrophobicContact CZ2-CB 3.79Å; W243-D245 VanDerWaalsContact CZ2-OD1 3.31Å; W243-D245 WeakPolarHBondContact CZ2-OD1 3.25Å; W243-D245 PolarHBondContact O-N 2.73Å; W243-V373 HydrophobicContact CZ2-CG1 4.35Å; W243-I376 HydrophobicContact CD2-CG2 3.7Å; W243-I376 HydrophobicContact CE3-CG2 4.13Å; W243-I376 HydrophobicContact CG-CD1 4.32Å; W243-I376 HydrophobicContact CG-CG2 3.87Å; W243-R377 HydrophobicContact CH2-CG 4.14Å; W243-L381 HydrophobicContact CE3-CD1 4.08Å; W243-L381 HydrophobicContact CE3-CD2 4.48Å; W243-L381 HydrophobicContact CH2-CD1 4.18Å; W243-L381 HydrophobicContact CZ3-CD1 3.51Å; W243-V391 HydrophobicContact CB-CG1 3.93Å; W243-Y392 PolarHBondContact N-O 3.1Å; W243-R393 HydrophobicContact CD2-CG 4.42Å; W243-R393 HydrophobicContact CE3-CB 3.99Å; W243-R393 HydrophobicContact CE3-CG 3.92Å; W243-R393 HydrophobicContact CZ3-CB 4.36Å; W243-R393 HydrophobicContact CZ3-CG 4.03Å; W243-R393 WeakPolarHBondContact O-CA 3.28Å; W243-I394 PolarHBondContact O-N 2.78Å
244	L	97.5	Very high	93.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	105.9	170	-58.8	-166.5	0	0	0	109.7	I36 C37 G38 T42 K44 L47 I394 V396	I36-L244 HydrophobicContact CG2-CD1 4.37Å; I36-L244 HydrophobicContact CG2-CG 4.36Å; C37-L244 PolarHBondContact O-N 2.87Å; G38-L244 WeakPolarHBondContact CA-O 3.41Å; T42-L244 VanDerWaalsContact O-CD1 3.25Å; T42-L244 WeakPolarHBondContact O-CD1 3.44Å; K44-L244 HydrophobicContact CG-CD1 4.11Å; L47-L244 HydrophobicContact CB-CD1 4.39Å; L47-L244 HydrophobicContact CD2-CD1 4.14Å; L47-L244 HydrophobicContact CD2-CD2 3.75Å; L47-L244 HydrophobicContact CD2-CG 4.29Å; L244-I394 WeakPolarHBondContact CA-O 3.46Å; L244-I394 HydrophobicContact CD2-CB 3.69Å; L244-I394 HydrophobicContact CD2-CG1 4.28Å; L244-I394 HydrophobicContact CD2-CG2 3.95Å; L244-V396 HydrophobicContact CB-CG1 4.04Å; L244-V396 HydrophobicContact CD1-CG1 4.36Å; L244-V396 HydrophobicContact CD2-CG1 3.94Å; L244-V396 HydrophobicContact CG-CG1 4.33Å
245	D	95	Very high	93.7	Very high	6 Å²	6	30.4 Å²	30.4	3%	0.032	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	150.5	179.4	-167.6	33.6	0	0	0	111.1	W243 R393 I394 V396	W243-D245 HydrophobicContact CD2-CB 4.26Å; W243-D245 HydrophobicContact CH2-CB 4.37Å; W243-D245 HydrophobicContact CZ2-CB 3.79Å; W243-D245 VanDerWaalsContact CZ2-OD1 3.31Å; W243-D245 WeakPolarHBondContact CZ2-OD1 3.25Å; W243-D245 PolarHBondContact O-N 2.73Å; D245-R393 HydrophobicContact CB-CG 3.85Å; D245-R393 IonicContact OD2-CZ 3.99Å; D245-R393 IonicContact OD2-NE 3.9Å; D245-R393 PolarHBondContact OD2-NE 3.39Å; D245-R393 IonicContact OD2-NH2 3.66Å; D245-R393 PolarHBondContact OD2-NH2 2.75Å; D245-I394 PolarHBondContact N-O 2.96Å; D245-V396 WeakPolarHBondContact O-CG2 3.45Å; D245-V396 PolarHBondContact O-N 3.42Å
246	C	94.8	Very high	94	Very high	12 Å²	12	31.9 Å²	31.9	8%	0.081	21%	0.214	C	C	.	.			trans	-149.4	142.9	-179.1	-176.9	0	0	0	0	110.6	T42 S248 L251 V396 T397 L400	T42-C246 HydrophobicContact CG2-CB 4.34Å; C246-S248 PolarHBondContact O-N 3.47Å; C246-L251 HydrophobicContact CB-CB 4.21Å; C246-V396 HydrophobicContact CB-CG2 3.89Å; C246-T397 WeakPolarHBondContact CA-OG1 3.2Å; C246-L400 HydrophobicContact CB-CD1 4.29Å
247	A	92.6	Very high	94.4	Very high	37 Å²	37	32 Å²	32	31%	0.306	20%	0.204	S	C	.	.			trans	-54.4	134	169.4	0	0	0	0	0	110.9	D249 V250 L251 T397	A247-D249 VanDerWaalsContact C-N 3.3Å; A247-D249 WeakPolarHBondContact CB-OD1 3.12Å; A247-D249 PolarHBondContact O-N 2.95Å; A247-V250 HydrophobicContact CB-CG2 4.38Å; A247-V250 PolarHBondContact O-N 2.81Å; A247-L251 WeakPolarHBondContact O-CB 3.44Å; A247-L251 PolarHBondContact O-N 2.73Å; A247-T397 HydrophobicContact CB-CG2 3.62Å; A247-T397 PolarHBondContact N-OG1 3.21Å
248	S	91.3	Very high	95	Very high	81 Å²	81	30.3 Å²	30.3	57%	0.566	17%	0.171	S	C	*	.	H	α-helix	trans	-66.3	-31	-165.8	64.4	0	0	0	0	114	C246 N252	C246-S248 PolarHBondContact O-N 3.47Å; S248-N252 VanDerWaalsContact O-CB 3.25Å; S248-N252 WeakPolarHBondContact O-CB 3.29Å; S248-N252 PolarHBondContact O-N 3.35Å; S248-N252 PolarHBondContact O-ND2 2.97Å; S248-N252 PolarHBondContact O-OD1 3.35Å
249	D	93.9	Very high	95.4	Very high	105 Å²	105	29.9 Å²	29.9	56%	0.561	17%	0.166	S	C	*	.	H	α-helix	trans	-69.5	-48.2	177	54.5	-40.5	0	0	0	111.9	A247 N252 T253	A247-D249 VanDerWaalsContact C-N 3.3Å; A247-D249 WeakPolarHBondContact CB-OD1 3.12Å; A247-D249 PolarHBondContact O-N 2.95Å; D249-N252 PolarHBondContact O-N 3.29Å; D249-T253 PolarHBondContact O-N 3.44Å; D249-T253 VanDerWaalsContact O-N 3.11Å; D249-T253 PolarHBondContact O-OG1 3.33Å
250	V	95.6	Very high	95.5	Very high	16 Å²	16	32.5 Å²	32.5	10%	0.097	18%	0.179	C	C	.	.	H	α-helix	trans	-61.7	-47.4	173.7	179.8	0	0	0	0	110.1	A247 N252 T253 Q254 T397 L400 D401	A247-V250 HydrophobicContact CB-CG2 4.38Å; A247-V250 PolarHBondContact O-N 2.81Å; V250-N252 PolarHBondContact O-N 3.35Å; V250-T253 WeakPolarHBondContact O-CB 3.33Å; V250-T253 PolarHBondContact O-N 3.33Å; V250-Q254 PolarHBondContact O-N 3.43Å; V250-T397 HydrophobicContact CB-CG2 4.21Å; V250-T397 HydrophobicContact CG1-CG2 4.45Å; V250-T397 HydrophobicContact CG2-CG2 3.81Å; V250-L400 HydrophobicContact CG1-CB 3.82Å; V250-D401 HydrophobicContact CG1-CB 4.14Å
251	L	95.8	Very high	95.5	Very high	8 Å²	8	39.1 Å²	39.1	4%	0.042	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-46.4	177.6	-175.8	61.5	0	0	0	112	A39 T42 C246 A247 T253 Q254 L255 A369 L400	A39-L251 HydrophobicContact CB-CD2 3.68Å; T42-L251 HydrophobicContact CG2-CD1 3.92Å; C246-L251 HydrophobicContact CB-CB 4.21Å; A247-L251 WeakPolarHBondContact O-CB 3.44Å; A247-L251 PolarHBondContact O-N 2.73Å; L251-T253 VanDerWaalsContact C-N 3.27Å; L251-T253 PolarHBondContact O-N 2.87Å; L251-Q254 PolarHBondContact O-N 3.06Å; L251-L255 HydrophobicContact CD1-CD1 4.45Å; L251-L255 HydrophobicContact CD1-CG 4.24Å; L251-L255 HydrophobicContact CG-CD1 4.01Å; L251-L255 HydrophobicContact CG-CG 4.24Å; L251-L255 WeakPolarHBondContact O-CB 3.44Å; L251-L255 WeakPolarHBondContact O-CG 3.23Å; L251-L255 PolarHBondContact O-N 2.85Å; L251-A369 HydrophobicContact CD2-CB 4.17Å; L251-L400 HydrophobicContact CD1-CD1 4.37Å
252	N	96.5	Very high	95.4	Very high	33 Å²	33	39.9 Å²	39.9	18%	0.176	21%	0.212	C	C	.	.	H	α-helix	trans	-60.9	-38	179.6	-72.6	-29.8	0	0	0	111.8	S248 D249 V250 N256 R366	S248-N252 VanDerWaalsContact O-CB 3.25Å; S248-N252 WeakPolarHBondContact O-CB 3.29Å; S248-N252 PolarHBondContact O-N 3.35Å; S248-N252 PolarHBondContact O-ND2 2.97Å; S248-N252 PolarHBondContact O-OD1 3.35Å; D249-N252 PolarHBondContact O-N 3.29Å; V250-N252 PolarHBondContact O-N 3.35Å; N252-N256 PolarHBondContact O-N 2.89Å; N252-N256 VanDerWaalsContact O-N 3.08Å; N252-N256 PolarHBondContact O-ND2 3.28Å; N252-N256 PolarHBondContact O-OD1 3.19Å; N252-R366 HydrophobicContact CB-CG 4.35Å; N252-R366 WeakPolarHBondContact OD1-CD 3.48Å; N252-R366 WeakPolarHBondContact OD1-CG 3.36Å
253	T	96.2	Very high	95.3	Very high	76 Å²	76	41.9 Å²	41.9	47%	0.466	22%	0.222	S	C	.	.	H	α-helix	trans	-63	-47.7	176.1	-59.2	0	0	0	0	110.8	D249 V250 L251 L255 N256 K257	D249-T253 PolarHBondContact O-N 3.44Å; D249-T253 VanDerWaalsContact O-N 3.11Å; D249-T253 PolarHBondContact O-OG1 3.33Å; V250-T253 WeakPolarHBondContact O-CB 3.33Å; V250-T253 PolarHBondContact O-N 3.33Å; L251-T253 VanDerWaalsContact C-N 3.27Å; L251-T253 PolarHBondContact O-N 2.87Å; T253-L255 PolarHBondContact O-N 3.11Å; T253-N256 PolarHBondContact O-N 2.92Å; T253-K257 PolarHBondContact O-N 2.8Å; T253-K257 VanDerWaalsContact O-N 3.07Å
254	Q	95.2	Very high	95.2	Very high	28 Å²	28	48.2 Å²	48.2	13%	0.131	26%	0.257	C	S	.	.	H	α-helix	trans	-66.5	-37	178.6	-71.7	-61.9	-13.3	0	0	113.1	V250 L251 N256 K257 R258 L400 E403	V250-Q254 PolarHBondContact O-N 3.43Å; L251-Q254 PolarHBondContact O-N 3.06Å; Q254-N256 VanDerWaalsContact C-N 3.33Å; Q254-N256 PolarHBondContact O-N 3.38Å; Q254-K257 PolarHBondContact O-N 3.28Å; Q254-R258 WeakPolarHBondContact O-CB 3.29Å; Q254-R258 PolarHBondContact O-N 3.11Å; Q254-L400 HydrophobicContact CG-CB 4.14Å; Q254-L400 HydrophobicContact CG-CD2 4.42Å; Q254-L400 PolarHBondContact NE2-O 3.22Å; Q254-E403 PolarHBondContact NE2-OE1 3.19Å
255	L	96.3	Very high	95.1	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-61.6	-40.6	173.1	-70.9	177.5	0	0	0	112.1	T40 L251 T253 R258 V259 T365 R366 A369	T40-L255 HydrophobicContact CG2-CD2 3.63Å; T40-L255 WeakPolarHBondContact O-CD2 2.94Å; L251-L255 HydrophobicContact CD1-CD1 4.45Å; L251-L255 HydrophobicContact CD1-CG 4.24Å; L251-L255 HydrophobicContact CG-CD1 4.01Å; L251-L255 HydrophobicContact CG-CG 4.24Å; L251-L255 WeakPolarHBondContact O-CB 3.44Å; L251-L255 WeakPolarHBondContact O-CG 3.23Å; L251-L255 PolarHBondContact O-N 2.85Å; T253-L255 PolarHBondContact O-N 3.11Å; L255-R258 PolarHBondContact O-N 2.75Å; L255-V259 WeakPolarHBondContact O-CG2 3.45Å; L255-V259 PolarHBondContact O-N 3.37Å; L255-T365 HydrophobicContact CB-CG2 4.28Å; L255-T365 HydrophobicContact CD1-CG2 4.23Å; L255-T365 HydrophobicContact CD2-CG2 3.81Å; L255-T365 HydrophobicContact CG-CG2 4.32Å; L255-R366 HydrophobicContact CD1-CG 4.32Å; L255-A369 HydrophobicContact CD1-CB 3.72Å
256	N	96.6	Very high	95.1	Very high	46 Å²	46	52 Å²	52	25%	0.246	29%	0.286	C	S	.	.	H	α-helix	trans	-65.9	-46	177.1	-67.6	-11.7	0	0	0	111.8	N252 T253 Q254 R258 V259 N260 K362 R366	N252-N256 PolarHBondContact O-N 2.89Å; N252-N256 VanDerWaalsContact O-N 3.08Å; N252-N256 PolarHBondContact O-ND2 3.28Å; N252-N256 PolarHBondContact O-OD1 3.19Å; T253-N256 PolarHBondContact O-N 2.92Å; Q254-N256 VanDerWaalsContact C-N 3.33Å; Q254-N256 PolarHBondContact O-N 3.38Å; N256-R258 VanDerWaalsContact C-N 3.27Å; N256-R258 PolarHBondContact O-N 2.94Å; N256-V259 PolarHBondContact O-N 2.93Å; N256-N260 PolarHBondContact O-N 3.25Å; N256-N260 VanDerWaalsContact O-N 3.14Å; N256-K362 HydrophobicContact CB-CD 4.35Å; N256-R366 PolarHBondContact ND2-NH1 2.78Å; N256-R366 PolarHBondContact OD1-NH1 3.34Å
257	K	95.2	Very high	95.1	Very high	103 Å²	103	51.4 Å²	51.4	45%	0.448	28%	0.282	S	S	.	.	H	α-helix	trans	-56.4	-43.7	174.6	-72.2	178.8	179.3	175.7	0	111.2	T253 Q254 N260 K261 E403	T253-K257 PolarHBondContact O-N 2.8Å; T253-K257 VanDerWaalsContact O-N 3.07Å; Q254-K257 PolarHBondContact O-N 3.28Å; K257-N260 WeakPolarHBondContact O-CB 3.5Å; K257-N260 PolarHBondContact O-N 3.18Å; K257-K261 PolarHBondContact O-N 3.36Å; K257-E403 IonicContact NZ-OE1 3.83Å; K257-E403 PolarHBondContact NZ-OE1 2.94Å
258	R	94.7	Very high	95.1	Very high	54 Å²	54	50.7 Å²	50.7	20%	0.204	27%	0.273	C	S	.	.	H	α-helix	trans	-62.7	-43.1	178.4	176.9	174.7	163.1	-153.8	-12.9	112.9	T40 G41 N76 Q254 L255 N256 N260 K261 M262	T40-R258 PolarHBondContact OG1-NH1 3.17Å; T40-R258 PolarHBondContact OG1-NH2 3.23Å; G41-R258 VanDerWaalsContact N-NH1 3.16Å; N76-R258 VanDerWaalsContact CG-NE 3.33Å; N76-R258 PolarHBondContact ND2-NH2 2.73Å; N76-R258 PolarHBondContact OD1-NE 3.19Å; N76-R258 PolarHBondContact OD1-NH2 2.85Å; Q254-R258 WeakPolarHBondContact O-CB 3.29Å; Q254-R258 PolarHBondContact O-N 3.11Å; L255-R258 PolarHBondContact O-N 2.75Å; N256-R258 VanDerWaalsContact C-N 3.27Å; N256-R258 PolarHBondContact O-N 2.94Å; R258-N260 VanDerWaalsContact C-N 3.3Å; R258-N260 PolarHBondContact O-N 2.88Å; R258-K261 PolarHBondContact O-N 3.2Å; R258-M262 HydrophobicContact CG-SD 4.3Å; R258-M262 WeakPolarHBondContact O-CG 3.35Å; R258-M262 PolarHBondContact O-N 3.2Å
259	V	95.7	Very high	95.2	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.012	27%	0.274	C	S	.	.	H	α-helix	trans	-61.6	-41.4	176.3	172.7	0	0	0	0	110.8	L255 N256 M262 L263 V361 K362	L255-V259 WeakPolarHBondContact O-CG2 3.45Å; L255-V259 PolarHBondContact O-N 3.37Å; N256-V259 PolarHBondContact O-N 2.93Å; V259-M262 WeakPolarHBondContact O-CB 3.49Å; V259-M262 PolarHBondContact O-N 3.45Å; V259-L263 HydrophobicContact CG1-CD1 4.43Å; V259-L263 WeakPolarHBondContact O-CG 3.35Å; V259-L263 PolarHBondContact O-N 2.63Å; V259-L263 VanDerWaalsContact O-N 3.1Å; V259-V361 HydrophobicContact CB-CG1 4.42Å; V259-V361 HydrophobicContact CG1-CB 4.18Å; V259-V361 HydrophobicContact CG1-CG1 3.62Å; V259-V361 HydrophobicContact CG2-CG1 3.84Å; V259-K362 HydrophobicContact CB-CG 3.85Å; V259-K362 HydrophobicContact CG1-CG 3.82Å; V259-K362 HydrophobicContact CG2-CG 4.08Å
260	N	96.5	Very high	95.2	Very high	66 Å²	66	48 Å²	48	35%	0.353	25%	0.252	S	S	.	.	H	α-helix	trans	-60.2	-47.9	174.3	-62.9	-17.2	0	0	0	110.9	N256 K257 R258 M262 L263 D264 K362	N256-N260 PolarHBondContact O-N 3.25Å; N256-N260 VanDerWaalsContact O-N 3.14Å; K257-N260 WeakPolarHBondContact O-CB 3.5Å; K257-N260 PolarHBondContact O-N 3.18Å; R258-N260 VanDerWaalsContact C-N 3.3Å; R258-N260 PolarHBondContact O-N 2.88Å; N260-M262 VanDerWaalsContact C-N 3.27Å; N260-M262 PolarHBondContact O-N 3.16Å; N260-L263 WeakPolarHBondContact O-CB 3.29Å; N260-L263 PolarHBondContact O-N 3.29Å; N260-D264 VanDerWaalsContact O-CG 3.27Å; N260-D264 PolarHBondContact O-N 3.31Å; N260-K362 WeakPolarHBondContact OD1-CE 3.4Å; N260-K362 PolarHBondContact OD1-NZ 2.82Å; N260-K362 VanDerWaalsContact OD1-NZ 3.07Å
261	K	95.2	Very high	94.9	Very high	141 Å²	141	47.3 Å²	47.3	61%	0.613	25%	0.248	S	C	*	.	H	α-helix	trans	-57.6	-38.5	176	-175.4	-179.4	178.5	-177.3	0	112.7	K257 R258 L263 D264 S265	K257-K261 PolarHBondContact O-N 3.36Å; R258-K261 PolarHBondContact O-N 3.2Å; K261-L263 VanDerWaalsContact C-N 3.34Å; K261-D264 PolarHBondContact O-N 3.38Å; K261-S265 WeakPolarHBondContact O-CB 3.35Å; K261-S265 PolarHBondContact O-N 3.49Å; K261-S265 PolarHBondContact O-OG 3.01Å
262	M	94.7	Very high	94.6	Very high	17 Å²	17	47.6 Å²	47.6	8%	0.084	25%	0.249	C	C	.	.	H	α-helix	trans	-61.9	-43.5	176	-71.8	169.7	58.5	0	0	111.1	I73 R258 V259 N260 S265 G266 L267	I73-M262 HydrophobicContact CG2-CB 3.97Å; I73-M262 HydrophobicContact CG2-CG 4.22Å; I73-M262 VanDerWaalsContact O-CE 3.29Å; I73-M262 WeakPolarHBondContact O-CE 3.33Å; R258-M262 HydrophobicContact CG-SD 4.3Å; R258-M262 WeakPolarHBondContact O-CG 3.35Å; R258-M262 PolarHBondContact O-N 3.2Å; V259-M262 WeakPolarHBondContact O-CB 3.49Å; V259-M262 PolarHBondContact O-N 3.45Å; N260-M262 VanDerWaalsContact C-N 3.27Å; N260-M262 PolarHBondContact O-N 3.16Å; M262-S265 PolarHBondContact O-N 3.01Å; M262-G266 PolarHBondContact O-N 3.38Å; M262-L267 HydrophobicContact CB-CB 4.43Å; M262-L267 HydrophobicContact CB-CD2 4.27Å; M262-L267 HydrophobicContact CE-CD1 4.21Å; M262-L267 HydrophobicContact CE-CD2 4.16Å; M262-L267 WeakPolarHBondContact O-CB 3.34Å; M262-L267 PolarHBondContact O-N 2.69Å; M262-L267 VanDerWaalsContact O-N 3.09Å
263	L	95	Very high	94.3	Very high	42 Å²	42	49.3 Å²	49.3	22%	0.22	26%	0.261	C	S	.	.	H	α-helix	trans	-61.3	-48.5	175.3	-66.3	165.6	0	0	0	111.2	V259 N260 K261 S265 G266 L267 V268 F334 A358	V259-L263 HydrophobicContact CG1-CD1 4.43Å; V259-L263 WeakPolarHBondContact O-CG 3.35Å; V259-L263 PolarHBondContact O-N 2.63Å; V259-L263 VanDerWaalsContact O-N 3.1Å; N260-L263 WeakPolarHBondContact O-CB 3.29Å; N260-L263 PolarHBondContact O-N 3.29Å; K261-L263 VanDerWaalsContact C-N 3.34Å; L263-S265 PolarHBondContact O-N 3.02Å; L263-G266 PolarHBondContact O-N 2.81Å; L263-G266 VanDerWaalsContact O-N 3.07Å; L263-L267 HydrophobicContact CD2-CB 4.37Å; L263-L267 HydrophobicContact CD2-CD2 3.96Å; L263-V268 HydrophobicContact CD2-CG2 4.28Å; L263-F334 HydrophobicContact CD2-CE1 4.23Å; L263-F334 HydrophobicContact CD2-CE2 4.18Å; L263-F334 HydrophobicContact CD2-CZ 3.53Å; L263-A358 HydrophobicContact CD1-CB 3.7Å
264	D	95.7	Very high	93.8	Very high	139 Å²	139	46.3 Å²	46.3	74%	0.743	24%	0.242	S	C	*	.	H	α-helix	trans	-62.6	-25	178.5	-58.3	-27.2	0	0	0	112.7	N260 K261 G266	N260-D264 VanDerWaalsContact O-CG 3.27Å; N260-D264 PolarHBondContact O-N 3.31Å; K261-D264 PolarHBondContact O-N 3.38Å; D264-G266 VanDerWaalsContact C-N 3.32Å
265	S	94.8	Very high	93.2	Very high	69 Å²	69	45.1 Å²	45.1	48%	0.483	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	1.4	178.6	-54.5	0	0	0	0	113.8	I73 K261 M262 L263	I73-S265 WeakPolarHBondContact CD1-O 3.1Å; K261-S265 WeakPolarHBondContact O-CB 3.35Å; K261-S265 PolarHBondContact O-N 3.49Å; K261-S265 PolarHBondContact O-OG 3.01Å; M262-S265 PolarHBondContact O-N 3.01Å; L263-S265 PolarHBondContact O-N 3.02Å
266	G	94.9	Very high	92.5	Very high	16 Å²	16	49.4 Å²	49.4	17%	0.165	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.5	30.4	179.1	0	0	0	0	0	114.9	M262 L263 D264 V268 D269 E270	M262-G266 PolarHBondContact O-N 3.38Å; L263-G266 PolarHBondContact O-N 2.81Å; L263-G266 VanDerWaalsContact O-N 3.07Å; D264-G266 VanDerWaalsContact C-N 3.32Å; G266-V268 VanDerWaalsContact C-N 3.26Å; G266-V268 PolarHBondContact O-N 3.43Å; G266-D269 PolarHBondContact O-N 2.9Å; G266-E270 PolarHBondContact O-N 3.21Å
267	L	94.1	Very high	91.7	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-53.2	-43.1	176.5	174.4	63.3	0	0	0	112.3	I73 A74 M262 L263 E270 L271 F334	I73-L267 HydrophobicContact CG2-CB 3.99Å; I73-L267 HydrophobicContact CG2-CD1 4.14Å; A74-L267 HydrophobicContact CB-CD1 3.6Å; M262-L267 HydrophobicContact CB-CB 4.43Å; M262-L267 HydrophobicContact CB-CD2 4.27Å; M262-L267 HydrophobicContact CE-CD1 4.21Å; M262-L267 HydrophobicContact CE-CD2 4.16Å; M262-L267 WeakPolarHBondContact O-CB 3.34Å; M262-L267 PolarHBondContact O-N 2.69Å; M262-L267 VanDerWaalsContact O-N 3.09Å; L263-L267 HydrophobicContact CD2-CB 4.37Å; L263-L267 HydrophobicContact CD2-CD2 3.96Å; L267-E270 PolarHBondContact O-N 3.23Å; L267-L271 HydrophobicContact CD1-CD1 4.18Å; L267-L271 HydrophobicContact CD1-CG 4.22Å; L267-L271 HydrophobicContact CG-CD1 4.14Å; L267-L271 VanDerWaalsContact O-CG 3.25Å; L267-L271 WeakPolarHBondContact O-CG 3.36Å; L267-L271 PolarHBondContact O-N 3.2Å; L267-L271 VanDerWaalsContact O-N 3.08Å; L267-F334 HydrophobicContact CD2-CD2 4.49Å; L267-F334 HydrophobicContact CD2-CE2 3.75Å; L267-F334 HydrophobicContact CD2-CZ 4.49Å; L267-F334 HydrophobicContact CG-CE2 4.49Å
268	V	93.3	Very high	90.7	Very high	21 Å²	21	51.3 Å²	51.3	13%	0.127	27%	0.267	C	S	.	.	H	α-helix	trans	-64	-46.3	-178.9	176.1	0	0	0	0	110.8	L263 G266 E270 L271 D272 F334 Y337 L354	L263-V268 HydrophobicContact CD2-CG2 4.28Å; G266-V268 VanDerWaalsContact C-N 3.26Å; G266-V268 PolarHBondContact O-N 3.43Å; V268-E270 VanDerWaalsContact C-N 3.29Å; V268-E270 PolarHBondContact O-N 2.9Å; V268-L271 PolarHBondContact O-N 3.26Å; V268-L271 VanDerWaalsContact O-N 3.08Å; V268-D272 PolarHBondContact O-N 3.45Å; V268-F334 HydrophobicContact CG2-CE1 4.47Å; V268-Y337 HydrophobicContact CG1-CD1 4.28Å; V268-Y337 HydrophobicContact CG1-CE1 3.66Å; V268-L354 HydrophobicContact CG2-CD1 3.88Å
269	D	93.6	Very high	89.5	Confident	107 Å²	107	55.1 Å²	55.1	57%	0.572	29%	0.292	S	S	*	.	H	α-helix	trans	-62.7	-37.1	179.5	-56.8	-36.3	0	0	0	112.1	G266 D272 T273	G266-D269 PolarHBondContact O-N 2.9Å; D269-D272 PolarHBondContact O-N 3.36Å; D269-T273 WeakPolarHBondContact O-CB 3.46Å; D269-T273 PolarHBondContact O-N 3.29Å; D269-T273 PolarHBondContact O-OG1 2.96Å
270	E	93.4	Very high	88	Confident	24 Å²	24	57.6 Å²	57.6	11%	0.112	31%	0.307	C	S	.	.	H	α-helix	trans	-61.7	-45.5	172.7	178.6	178.4	91.5	0	0	111.3	I71 D72 I73 A74 G266 L267 V268 T273 F274	I71-E270 VanDerWaalsContact CA-CD 3.45Å; I71-E270 WeakPolarHBondContact CA-OE1 3.45Å; I71-E270 HydrophobicContact CB-CG 4.37Å; I71-E270 HydrophobicContact CG2-CG 4.26Å; D72-E270 PolarHBondContact N-OE2 3.37Å; I73-E270 WeakPolarHBondContact CB-OE1 3.25Å; I73-E270 HydrophobicContact CD1-CB 4.3Å; I73-E270 WeakPolarHBondContact CG1-OE2 3.49Å; I73-E270 PolarHBondContact N-OE1 3.48Å; I73-E270 PolarHBondContact N-OE2 3.03Å; A74-E270 WeakPolarHBondContact CB-OE1 3.48Å; A74-E270 PolarHBondContact N-OE1 3.32Å; G266-E270 PolarHBondContact O-N 3.21Å; L267-E270 PolarHBondContact O-N 3.23Å; V268-E270 VanDerWaalsContact C-N 3.29Å; V268-E270 PolarHBondContact O-N 2.9Å; E270-T273 PolarHBondContact O-N 2.91Å; E270-F274 VanDerWaalsContact O-CB 3.29Å; E270-F274 WeakPolarHBondContact O-CB 3.38Å; E270-F274 PolarHBondContact O-N 3.43Å
271	L	89.9	Confident	86.1	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-68	-36.5	179.6	-64.1	174.6	0	0	0	112.2	A74 L267 V268 F274 L275 L331 F334 L338	A74-L271 HydrophobicContact CB-CD2 4.29Å; L267-L271 HydrophobicContact CD1-CD1 4.18Å; L267-L271 HydrophobicContact CD1-CG 4.22Å; L267-L271 HydrophobicContact CG-CD1 4.14Å; L267-L271 VanDerWaalsContact O-CG 3.25Å; L267-L271 WeakPolarHBondContact O-CG 3.36Å; L267-L271 PolarHBondContact O-N 3.2Å; L267-L271 VanDerWaalsContact O-N 3.08Å; V268-L271 PolarHBondContact O-N 3.26Å; V268-L271 VanDerWaalsContact O-N 3.08Å; L271-F274 WeakPolarHBondContact O-CB 3.19Å; L271-F274 PolarHBondContact O-N 3.07Å; L271-L275 WeakPolarHBondContact O-CB 3.31Å; L271-L275 PolarHBondContact O-N 3.08Å; L271-L331 HydrophobicContact CD2-CB 4.14Å; L271-L331 HydrophobicContact CD2-CD1 3.81Å; L271-F334 HydrophobicContact CD1-CB 4.1Å; L271-F334 HydrophobicContact CD1-CD2 3.65Å; L271-F334 HydrophobicContact CD1-CG 4.1Å; L271-L338 HydrophobicContact CB-CD1 3.93Å; L271-L338 HydrophobicContact CB-CD2 4.1Å; L271-L338 HydrophobicContact CD1-CD1 4.35Å
272	D	89.6	Confident	84	Confident	14 Å²	14	53.2 Å²	53.2	8%	0.075	29%	0.294	C	S	.	.	H	α-helix	trans	-65.9	-45.7	172.5	-84.7	-56.9	0	0	0	112.3	V268 D269 F274 L275 N276 R301 R345	V268-D272 PolarHBondContact O-N 3.45Å; D269-D272 PolarHBondContact O-N 3.36Å; D272-F274 PolarHBondContact O-N 3.43Å; D272-L275 PolarHBondContact O-N 3.42Å; D272-N276 WeakPolarHBondContact O-CB 3.38Å; D272-N276 PolarHBondContact O-N 3.02Å; D272-N276 PolarHBondContact O-ND2 3.37Å; D272-R301 IonicContact OD1-NH2 3.37Å; D272-R345 IonicContact OD1-CZ 2.64Å; D272-R345 IonicContact OD1-NH1 2.93Å; D272-R345 IonicContact OD1-NH2 2.71Å; D272-R345 PolarHBondContact OD1-NH2 2.96Å; D272-R345 IonicContact OD2-CZ 3.05Å; D272-R345 IonicContact OD2-NH1 3.79Å; D272-R345 PolarHBondContact OD2-NH1 3.04Å; D272-R345 IonicContact OD2-NH2 2.88Å; D272-R345 PolarHBondContact OD2-NH2 3.23Å
273	T	89.7	Confident	81.8	Confident	69 Å²	69	59 Å²	59	42%	0.423	33%	0.333	S	S	.	.	H	α-helix	trans	-58.2	-41.3	176.2	-61.6	0	0	0	0	110.5	D269 E270 K277	D269-T273 WeakPolarHBondContact O-CB 3.46Å; D269-T273 PolarHBondContact O-N 3.29Å; D269-T273 PolarHBondContact O-OG1 2.96Å; E270-T273 PolarHBondContact O-N 2.91Å; T273-K277 HydrophobicContact CG2-CD 4.3Å; T273-K277 WeakPolarHBondContact O-CG 3.05Å; T273-K277 PolarHBondContact O-N 3.07Å
274	F	85.5	Confident	79.8	Confident	14 Å²	14	67.5 Å²	67.5	6%	0.061	36%	0.362	C	S	.	.	H	α-helix	trans	-62.1	-51.8	174.2	175.1	-101.9	0	0	0	111.9	I71 P96 E270 L271 D272 N276 K277 V278 L325 L331	I71-F274 HydrophobicContact CG2-CB 3.92Å; I71-F274 HydrophobicContact CG2-CD2 3.69Å; I71-F274 HydrophobicContact CG2-CE2 4.42Å; I71-F274 HydrophobicContact CG2-CG 3.82Å; P96-F274 HydrophobicContact CB-CE2 3.56Å; P96-F274 HydrophobicContact CB-CZ 4.27Å; P96-F274 HydrophobicContact CG-CD2 4.47Å; P96-F274 HydrophobicContact CG-CE2 3.87Å; E270-F274 VanDerWaalsContact O-CB 3.29Å; E270-F274 WeakPolarHBondContact O-CB 3.38Å; E270-F274 PolarHBondContact O-N 3.43Å; L271-F274 WeakPolarHBondContact O-CB 3.19Å; L271-F274 PolarHBondContact O-N 3.07Å; D272-F274 PolarHBondContact O-N 3.43Å; F274-N276 VanDerWaalsContact C-N 3.27Å; F274-N276 PolarHBondContact O-N 2.97Å; F274-K277 PolarHBondContact O-N 2.89Å; F274-K277 VanDerWaalsContact O-N 3.12Å; F274-V278 HydrophobicContact CD1-CG2 4.38Å; F274-V278 HydrophobicContact CD2-CG2 3.96Å; F274-V278 HydrophobicContact CE1-CG2 3.96Å; F274-V278 HydrophobicContact CE2-CG2 3.47Å; F274-V278 VanDerWaalsContact CE2-CG2 3.47Å; F274-V278 HydrophobicContact CG-CG2 4.39Å; F274-V278 HydrophobicContact CZ-CG2 3.48Å; F274-V278 VanDerWaalsContact CZ-CG2 3.48Å; F274-V278 WeakPolarHBondContact O-CG2 3.22Å; F274-V278 PolarHBondContact O-N 3.36Å; F274-L325 HydrophobicContact CD2-CD2 4.18Å; F274-L325 HydrophobicContact CE2-CD2 3.35Å; F274-L325 HydrophobicContact CZ-CD2 3.54Å; F274-L325 HydrophobicContact CZ-CG 4.45Å; F274-L331 HydrophobicContact CD1-CD1 3.99Å; F274-L331 HydrophobicContact CD1-CD2 4.3Å; F274-L331 HydrophobicContact CE1-CD1 4.22Å; F274-L331 HydrophobicContact CE1-CD2 3.71Å
275	L	81.8	Confident	77.7	Confident	2 Å²	2	66 Å²	66	1%	0.01	35%	0.349	C	S	.	.	H	α-helix	trans	-60.5	-35.9	-179.3	-175.2	65.1	0	0	0	112.7	L271 D272 K304 L305 L308 L338	L271-L275 WeakPolarHBondContact O-CB 3.31Å; L271-L275 PolarHBondContact O-N 3.08Å; D272-L275 PolarHBondContact O-N 3.42Å; L275-K304 HydrophobicContact CD1-CB 4.31Å; L275-L305 HydrophobicContact CD1-CD2 3.8Å; L275-L305 HydrophobicContact CD1-CG 4.06Å; L275-L305 HydrophobicContact CD2-CD1 4.14Å; L275-L305 HydrophobicContact CD2-CD2 3.97Å; L275-L305 HydrophobicContact CD2-CG 4Å; L275-L308 HydrophobicContact CD1-CD1 3.61Å; L275-L338 HydrophobicContact CD2-CB 4.41Å
276	N	82	Confident	75.4	Confident	91 Å²	91	66.9 Å²	66.9	49%	0.487	36%	0.356	S	S	.	.	H	α-helix	trans	-69.4	-33	178	-70.2	-23.1	0	0	0	112.5	D272 F274 R301	D272-N276 WeakPolarHBondContact O-CB 3.38Å; D272-N276 PolarHBondContact O-N 3.02Å; D272-N276 PolarHBondContact O-ND2 3.37Å; F274-N276 VanDerWaalsContact C-N 3.27Å; F274-N276 PolarHBondContact O-N 2.97Å; N276-R301 PolarHBondContact OD1-NH1 3.4Å; N276-R301 PolarHBondContact OD1-NH2 2.91Å
277	K	80.8	Confident	73.1	Confident	167 Å²	167	75.9 Å²	75.9	73%	0.726	39%	0.393	S	S	*	.	H	α-helix	trans	-83.4	-28	-178.9	-73.7	177	-179.4	177.3	0	113.6	T273 F274 D279	T273-K277 HydrophobicContact CG2-CD 4.3Å; T273-K277 WeakPolarHBondContact O-CG 3.05Å; T273-K277 PolarHBondContact O-N 3.07Å; F274-K277 PolarHBondContact O-N 2.89Å; F274-K277 VanDerWaalsContact O-N 3.12Å; K277-D279 PolarHBondContact O-N 2.99Å
278	V	73.4	Confident	70.9	Confident	23 Å²	23	81.3 Å²	81.3	14%	0.139	43%	0.427	C	S	.	.			trans	-78	118	-176.8	172.2	0	0	0	0	110.2	F274 V280 L308	F274-V278 HydrophobicContact CD1-CG2 4.38Å; F274-V278 HydrophobicContact CD2-CG2 3.96Å; F274-V278 HydrophobicContact CE1-CG2 3.96Å; F274-V278 HydrophobicContact CE2-CG2 3.47Å; F274-V278 VanDerWaalsContact CE2-CG2 3.47Å; F274-V278 HydrophobicContact CG-CG2 4.39Å; F274-V278 HydrophobicContact CZ-CG2 3.48Å; F274-V278 VanDerWaalsContact CZ-CG2 3.48Å; F274-V278 WeakPolarHBondContact O-CG2 3.22Å; F274-V278 PolarHBondContact O-N 3.36Å; V278-V280 HydrophobicContact CG1-CB 4.34Å; V278-V280 HydrophobicContact CG1-CG1 3.38Å; V278-V280 HydrophobicContact CG1-CG2 4.27Å; V278-L308 HydrophobicContact CG1-CD2 4.17Å
279	D	68.8	Low	68.9	Low	134 Å²	134	87.1 Å²	87.1	72%	0.717	45%	0.452	S	S	*	.			trans	-98	101	173.9	-164	16.7	0	0	0	110.1	K277	K277-D279 PolarHBondContact O-N 2.99Å
280	V	64.4	Low	66.8	Low	54 Å²	54	89.5 Å²	89.5	33%	0.327	47%	0.471	S	S	.	.			trans	-118.8	-7.3	-176.9	-77.7	0	0	0	0	113.1	V278 K304 A307 L308	V278-V280 HydrophobicContact CG1-CB 4.34Å; V278-V280 HydrophobicContact CG1-CG1 3.38Å; V278-V280 HydrophobicContact CG1-CG2 4.27Å; V280-K304 HydrophobicContact CG2-CB 4.37Å; V280-K304 HydrophobicContact CG2-CG 4.34Å; V280-A307 HydrophobicContact CG2-CB 4.31Å; V280-L308 HydrophobicContact CB-CD2 4.28Å; V280-L308 HydrophobicContact CG1-CD2 3.67Å; V280-L308 HydrophobicContact CG2-CD2 4.02Å; V280-L308 HydrophobicContact CG2-CG 4.05Å
281	L	57.8	Low	65	Low	30 Å²	30	90.7 Å²	90.7	16%	0.157	48%	0.482	C	S	.	.	S	Bend	trans	-89.6	131.2	176	-68	175.6	0	0	0	108.4	F285 I300 E303 K304 A307	L281-F285 HydrophobicContact CD1-CD2 4.34Å; L281-F285 HydrophobicContact CD1-CE2 4.12Å; L281-I300 HydrophobicContact CD1-CG2 4.13Å; L281-E303 HydrophobicContact CD2-CB 4.37Å; L281-K304 HydrophobicContact CD1-CG 3.54Å; L281-K304 HydrophobicContact CG-CG 3.83Å; L281-A307 HydrophobicContact CD2-CB 3.97Å
282	P	50.5	Low	63.7	Low	84 Å²	84	96.5 Å²	96.5	55%	0.545	51%	0.513	S	S	.	.			trans	-58.7	153.7	167.1	24.9	-30.9	0	0	0	109.3	R284	P282-R284 PolarHBondContact O-N 3.48Å
283	P	49.2	Very low	62.6	Low	140 Å²	140	99.4 Å²	99.4	91%	0.909	54%	0.539	S	S	*	.	S	Bend	trans	-69.6	38.5	-171.1	26.9	-35.3	0	0	0	115.2
284	R	51.5	Low	61.6	Low	220 Å²	220	99.1 Å²	99.1	83%	0.83	54%	0.538	S	S	*	.			trans	-92.1	-4	-172.6	-70.3	-170	177.3	-171.8	0.3	115.2	P282 S286	P282-R284 PolarHBondContact O-N 3.48Å; R284-S286 VanDerWaalsContact C-N 3.34Å; R284-S286 PolarHBondContact O-N 3.3Å; R284-S286 VanDerWaalsContact O-N 3.1Å
285	F	51.9	Low	61.2	Low	107 Å²	107	102.4 Å²	102.4	47%	0.469	56%	0.556	S	S	.	*			trans	-81.7	83.2	169.1	-81.3	-77.6	0	0	0	109.5	L281 E303	L281-F285 HydrophobicContact CD1-CD2 4.34Å; L281-F285 HydrophobicContact CD1-CE2 4.12Å; F285-E303 VanDerWaalsContact CE2-OE2 3.25Å; F285-E303 WeakPolarHBondContact CE2-OE2 3.19Å; F285-E303 WeakPolarHBondContact CZ-OE2 3.3Å
286	S	46.2	Very low	61	Low	88 Å²	88	104.8 Å²	104.8	62%	0.615	57%	0.569	S	S	*	*			trans	-73.5	130.6	161.9	54.3	0	0	0	0	108.7	R284 T288	R284-S286 VanDerWaalsContact C-N 3.34Å; R284-S286 PolarHBondContact O-N 3.3Å; R284-S286 VanDerWaalsContact O-N 3.1Å; S286-T288 PolarHBondContact O-N 3.38Å
287	E	48	Very low	61	Low	205 Å²	205	104.7 Å²	104.7	96%	0.958	57%	0.565	S	S	*	*	S	Bend	trans	-64.9	45.1	-175.6	-62.4	175.2	155.1	0	0	114.9
288	T	47.6	Very low	61.1	Low	114 Å²	114	99.7 Å²	99.7	70%	0.699	54%	0.544	S	S	*	.			trans	-122.3	56.7	-175.8	50.8	0	0	0	0	111.6	S286	S286-T288 PolarHBondContact O-N 3.38Å
289	E	50.8	Low	61.5	Low	143 Å²	143	105 Å²	105	67%	0.668	56%	0.561	S	S	*	*			trans	-138.4	116.4	159.3	-73	-166.7	169.8	0	0	109.8	S291	E289-S291 VanDerWaalsContact C-N 3.33Å; E289-S291 PolarHBondContact O-N 2.83Å
290	T	49.1	Very low	62.1	Low	157 Å²	157	101 Å²	101	96%	0.963	54%	0.539	S	S	*	.			trans	-73	85	169.2	50.1	0	0	0	0	109
291	S	56.5	Low	63	Low	48 Å²	48	99.3 Å²	99.3	34%	0.336	53%	0.527	S	S	.	.	S	Bend	trans	-140	157.1	169	72.4	0	0	0	0	109.8	E289 A293 I296	E289-S291 VanDerWaalsContact C-N 3.33Å; E289-S291 PolarHBondContact O-N 2.83Å; S291-A293 PolarHBondContact O-N 3.3Å; S291-I296 WeakPolarHBondContact O-CD1 3.38Å; S291-I296 WeakPolarHBondContact OG-CG1 3.47Å
292	D	62.8	Low	64.2	Low	122 Å²	122	99.4 Å²	99.4	65%	0.652	53%	0.529	S	S	*	.			trans	-50.4	122.1	-173.3	-68.5	-42.4	0	0	0	111.5	P294 D295 I296	D292-P294 VanDerWaalsContact C-N 3.34Å; D292-P294 HydrophobicContact CB-CG 4.49Å; D292-P294 VanDerWaalsContact O-N 3.14Å; D292-D295 WeakPolarHBondContact O-CB 3.41Å; D292-D295 PolarHBondContact O-N 3.42Å; D292-I296 PolarHBondContact O-N 3.37Å
293	A	65.5	Low	65.6	Low	75 Å²	75	99 Å²	99	62%	0.62	52%	0.519	S	S	*	.	H	α-helix	trans	-45.2	-42.8	-176.2	0	0	0	0	0	115.8	S291 D295 I296 E297	S291-A293 PolarHBondContact O-N 3.3Å; A293-D295 VanDerWaalsContact C-N 3.35Å; A293-D295 PolarHBondContact O-N 2.63Å; A293-I296 PolarHBondContact O-N 2.91Å; A293-E297 PolarHBondContact O-N 3.23Å; A293-E297 VanDerWaalsContact O-N 3.13Å
294	P	69.2	Low	67	Low	64 Å²	64	94.2 Å²	94.2	42%	0.416	48%	0.484	S	S	.	.	H	α-helix	trans	-64.7	-35.3	178.3	23.3	-34.1	0	0	0	113.3	D292 I296 E297 K298 L341	D292-P294 VanDerWaalsContact C-N 3.34Å; D292-P294 HydrophobicContact CB-CG 4.49Å; D292-P294 VanDerWaalsContact O-N 3.14Å; P294-I296 VanDerWaalsContact C-N 3.31Å; P294-I296 PolarHBondContact O-N 3.08Å; P294-E297 PolarHBondContact O-N 3.08Å; P294-K298 WeakPolarHBondContact O-CB 3.4Å; P294-K298 PolarHBondContact O-N 2.68Å; P294-L341 HydrophobicContact CB-CD1 3.95Å; P294-L341 WeakPolarHBondContact O-CD1 3.12Å
295	D	76.5	Confident	68.3	Low	82 Å²	82	84.1 Å²	84.1	44%	0.439	45%	0.447	S	S	.	.	H	α-helix	trans	-66.5	-36.9	178.6	-84.5	-13.7	0	0	0	111.4	D292 A293 R299	D292-D295 WeakPolarHBondContact O-CB 3.41Å; D292-D295 PolarHBondContact O-N 3.42Å; A293-D295 VanDerWaalsContact C-N 3.35Å; A293-D295 PolarHBondContact O-N 2.63Å; D295-R299 WeakPolarHBondContact O-CB 3.37Å; D295-R299 WeakPolarHBondContact O-CG 3.36Å; D295-R299 PolarHBondContact O-N 3.37Å
296	I	78.9	Confident	69.4	Low	53 Å²	53	86.7 Å²	86.7	27%	0.272	45%	0.453	S	S	.	.	H	α-helix	trans	-64.4	-48.8	175	-60.7	175.8	0	0	0	110	S291 D292 A293 P294 K298 R299 I300	S291-I296 WeakPolarHBondContact O-CD1 3.38Å; S291-I296 WeakPolarHBondContact OG-CG1 3.47Å; D292-I296 PolarHBondContact O-N 3.37Å; A293-I296 PolarHBondContact O-N 2.91Å; P294-I296 VanDerWaalsContact C-N 3.31Å; P294-I296 PolarHBondContact O-N 3.08Å; I296-K298 PolarHBondContact O-N 3.04Å; I296-R299 PolarHBondContact O-N 3.5Å; I296-I300 HydrophobicContact CG2-CD1 3.82Å; I296-I300 HydrophobicContact CG2-CG1 4.44Å; I296-I300 VanDerWaalsContact O-CG1 3.32Å; I296-I300 WeakPolarHBondContact O-CG1 3.34Å; I296-I300 PolarHBondContact O-N 3.3Å
297	E	81.6	Confident	70.6	Confident	89 Å²	89	84.4 Å²	84.4	42%	0.416	44%	0.44	S	S	.	.	H	α-helix	trans	-60.9	-45.7	180	-171.5	-177.5	164.3	0	0	111.5	A293 P294 R299 I300 R301 L341	A293-E297 PolarHBondContact O-N 3.23Å; A293-E297 VanDerWaalsContact O-N 3.13Å; P294-E297 PolarHBondContact O-N 3.08Å; E297-R299 VanDerWaalsContact C-N 3.33Å; E297-R299 PolarHBondContact O-N 3.17Å; E297-I300 PolarHBondContact O-N 2.88Å; E297-R301 WeakPolarHBondContact O-CG 3.11Å; E297-R301 PolarHBondContact O-N 2.69Å; E297-R301 IonicContact OE1-NH1 3.63Å; E297-R301 PolarHBondContact OE1-NH1 2.93Å; E297-L341 HydrophobicContact CB-CD2 4.05Å; E297-L341 HydrophobicContact CG-CD2 3.79Å
298	K	83	Confident	71.7	Confident	62 Å²	62	75 Å²	75	27%	0.27	40%	0.396	S	S	.	.	H	α-helix	trans	-60.1	-43.8	178.1	-172.5	172.4	-178.7	169.6	0	111.5	P294 I296 R301 V302 L341 E344	P294-K298 WeakPolarHBondContact O-CB 3.4Å; P294-K298 PolarHBondContact O-N 2.68Å; I296-K298 PolarHBondContact O-N 3.04Å; K298-R301 PolarHBondContact O-N 2.94Å; K298-V302 HydrophobicContact CG-CG2 4.5Å; K298-V302 WeakPolarHBondContact O-CB 3.46Å; K298-V302 VanDerWaalsContact O-CG2 3.26Å; K298-V302 WeakPolarHBondContact O-CG2 3.22Å; K298-V302 PolarHBondContact O-N 3.19Å; K298-L341 HydrophobicContact CB-CD1 4.06Å; K298-L341 HydrophobicContact CB-CD2 4.2Å; K298-L341 HydrophobicContact CB-CG 3.95Å; K298-L341 HydrophobicContact CG-CG 4.37Å; K298-E344 WeakPolarHBondContact CE-OE2 3.44Å; K298-E344 IonicContact NZ-OE1 2.95Å; K298-E344 PolarHBondContact NZ-OE1 3.4Å; K298-E344 IonicContact NZ-OE2 3.48Å; K298-E344 PolarHBondContact NZ-OE2 2.93Å
299	R	81.7	Confident	72.7	Confident	135 Å²	135	70.5 Å²	70.5	51%	0.509	37%	0.367	S	S	.	.	H	α-helix	trans	-59.5	-46.7	174.5	-75.3	173.6	-171.4	-172.2	6.4	111.4	D295 I296 E297 R301 V302 E303	D295-R299 WeakPolarHBondContact O-CB 3.37Å; D295-R299 WeakPolarHBondContact O-CG 3.36Å; D295-R299 PolarHBondContact O-N 3.37Å; I296-R299 PolarHBondContact O-N 3.5Å; E297-R299 VanDerWaalsContact C-N 3.33Å; E297-R299 PolarHBondContact O-N 3.17Å; R299-R301 VanDerWaalsContact C-N 3.34Å; R299-R301 PolarHBondContact O-N 2.92Å; R299-V302 PolarHBondContact O-N 3.34Å; R299-E303 VanDerWaalsContact O-CB 3.31Å; R299-E303 WeakPolarHBondContact O-CB 3.36Å; R299-E303 WeakPolarHBondContact O-CG 3.36Å; R299-E303 PolarHBondContact O-N 3.49Å
300	I	81.6	Confident	73	Confident	48 Å²	48	66.5 Å²	66.5	25%	0.246	36%	0.358	C	S	.	.	H	α-helix	trans	-59.2	-44.7	176.7	-68.1	167.4	0	0	0	110.8	L281 I296 E297 E303 K304	L281-I300 HydrophobicContact CD1-CG2 4.13Å; I296-I300 HydrophobicContact CG2-CD1 3.82Å; I296-I300 HydrophobicContact CG2-CG1 4.44Å; I296-I300 VanDerWaalsContact O-CG1 3.32Å; I296-I300 WeakPolarHBondContact O-CG1 3.34Å; I296-I300 PolarHBondContact O-N 3.3Å; E297-I300 PolarHBondContact O-N 2.88Å; I300-E303 PolarHBondContact O-N 2.89Å; I300-K304 HydrophobicContact CG2-CD 4.27Å; I300-K304 HydrophobicContact CG2-CG 4.37Å; I300-K304 WeakPolarHBondContact O-CB 3.48Å; I300-K304 VanDerWaalsContact O-CG 3.31Å; I300-K304 WeakPolarHBondContact O-CG 3.29Å; I300-K304 PolarHBondContact O-N 3.44Å
301	R	84.3	Confident	73	Confident	19 Å²	19	63 Å²	63	7%	0.072	33%	0.331	C	S	.	.	H	α-helix	trans	-62.7	-48.3	177.9	-69.6	-178.6	106.3	80.2	11.7	112	D272 N276 E297 K298 R299 E303 K304 L305	D272-R301 IonicContact OD1-NH2 3.37Å; N276-R301 PolarHBondContact OD1-NH1 3.4Å; N276-R301 PolarHBondContact OD1-NH2 2.91Å; E297-R301 WeakPolarHBondContact O-CG 3.11Å; E297-R301 PolarHBondContact O-N 2.69Å; E297-R301 IonicContact OE1-NH1 3.63Å; E297-R301 PolarHBondContact OE1-NH1 2.93Å; K298-R301 PolarHBondContact O-N 2.94Å; R299-R301 VanDerWaalsContact C-N 3.34Å; R299-R301 PolarHBondContact O-N 2.92Å; R301-E303 VanDerWaalsContact C-N 3.3Å; R301-E303 PolarHBondContact O-N 2.86Å; R301-K304 PolarHBondContact O-N 3.43Å; R301-L305 WeakPolarHBondContact O-CG 3.43Å; R301-L305 PolarHBondContact O-N 2.9Å
302	V	82.5	Confident	72.5	Confident	32 Å²	32	65.6 Å²	65.6	19%	0.194	34%	0.338	C	S	.	.	H	α-helix	trans	-59.5	-43.1	176.5	170.9	0	0	0	0	110.6	K298 R299 L305 R306 A339	K298-V302 HydrophobicContact CG-CG2 4.5Å; K298-V302 WeakPolarHBondContact O-CB 3.46Å; K298-V302 VanDerWaalsContact O-CG2 3.26Å; K298-V302 WeakPolarHBondContact O-CG2 3.22Å; K298-V302 PolarHBondContact O-N 3.19Å; R299-V302 PolarHBondContact O-N 3.34Å; V302-L305 PolarHBondContact O-N 3.28Å; V302-R306 HydrophobicContact CG1-CG 4.44Å; V302-R306 WeakPolarHBondContact O-CB 3.12Å; V302-R306 VanDerWaalsContact O-CG 3.29Å; V302-R306 WeakPolarHBondContact O-CG 3.08Å; V302-R306 PolarHBondContact O-N 3.08Å; V302-A339 HydrophobicContact CG2-CB 3.99Å
303	E	79.9	Confident	71.3	Confident	75 Å²	75	68.4 Å²	68.4	35%	0.35	34%	0.344	S	S	.	.	H	α-helix	trans	-70.5	-35.3	178	-75.9	-172.8	-163.9	0	0	113	L281 F285 R299 I300 R301 R306 A307	L281-E303 HydrophobicContact CD2-CB 4.37Å; F285-E303 VanDerWaalsContact CE2-OE2 3.25Å; F285-E303 WeakPolarHBondContact CE2-OE2 3.19Å; F285-E303 WeakPolarHBondContact CZ-OE2 3.3Å; R299-E303 VanDerWaalsContact O-CB 3.31Å; R299-E303 WeakPolarHBondContact O-CB 3.36Å; R299-E303 WeakPolarHBondContact O-CG 3.36Å; R299-E303 PolarHBondContact O-N 3.49Å; I300-E303 PolarHBondContact O-N 2.89Å; R301-E303 VanDerWaalsContact C-N 3.3Å; R301-E303 PolarHBondContact O-N 2.86Å; E303-R306 CarbonylContact O-C 3.53Å; E303-R306 PolarHBondContact O-N 3.37Å; E303-A307 VanDerWaalsContact O-CB 3.27Å; E303-A307 WeakPolarHBondContact O-CB 3.33Å; E303-A307 PolarHBondContact O-N 3.36Å
304	K	78.4	Confident	69.9	Low	40 Å²	40	71.6 Å²	71.6	17%	0.174	35%	0.346	C	S	.	.	H	α-helix	trans	-61.3	-49.8	170.5	-79.5	-176.5	177.6	-166.8	0	110.6	L275 V280 L281 I300 R301 R306 A307 L308	L275-K304 HydrophobicContact CD1-CB 4.31Å; V280-K304 HydrophobicContact CG2-CB 4.37Å; V280-K304 HydrophobicContact CG2-CG 4.34Å; L281-K304 HydrophobicContact CD1-CG 3.54Å; L281-K304 HydrophobicContact CG-CG 3.83Å; I300-K304 HydrophobicContact CG2-CD 4.27Å; I300-K304 HydrophobicContact CG2-CG 4.37Å; I300-K304 WeakPolarHBondContact O-CB 3.48Å; I300-K304 VanDerWaalsContact O-CG 3.31Å; I300-K304 WeakPolarHBondContact O-CG 3.29Å; I300-K304 PolarHBondContact O-N 3.44Å; R301-K304 PolarHBondContact O-N 3.43Å; K304-R306 VanDerWaalsContact C-N 3.35Å; K304-R306 PolarHBondContact O-N 3.08Å; K304-A307 WeakPolarHBondContact O-CB 3.45Å; K304-A307 PolarHBondContact O-N 3.25Å; K304-L308 WeakPolarHBondContact O-CB 3.44Å; K304-L308 VanDerWaalsContact O-CG 3.25Å; K304-L308 WeakPolarHBondContact O-CG 3.41Å; K304-L308 PolarHBondContact O-N 3.22Å
305	L	78.1	Confident	68.2	Low	8 Å²	8	72 Å²	72	4%	0.042	35%	0.351	C	S	.	.	H	α-helix	trans	-63.1	-42.8	177.9	-71.5	162.6	0	0	0	111	L275 R301 V302 A307 L308 F309 S335 L338 A339	L275-L305 HydrophobicContact CD1-CD2 3.8Å; L275-L305 HydrophobicContact CD1-CG 4.06Å; L275-L305 HydrophobicContact CD2-CD1 4.14Å; L275-L305 HydrophobicContact CD2-CD2 3.97Å; L275-L305 HydrophobicContact CD2-CG 4Å; R301-L305 WeakPolarHBondContact O-CG 3.43Å; R301-L305 PolarHBondContact O-N 2.9Å; V302-L305 PolarHBondContact O-N 3.28Å; L305-A307 VanDerWaalsContact C-N 3.33Å; L305-A307 PolarHBondContact O-N 3.48Å; L305-L308 HydrophobicContact CD2-CD1 4.5Å; L305-L308 WeakPolarHBondContact O-CB 3.49Å; L305-L308 PolarHBondContact O-N 2.77Å; L305-F309 HydrophobicContact CB-CD2 4.34Å; L305-F309 HydrophobicContact CB-CE2 4.43Å; L305-F309 HydrophobicContact CD2-CD2 4.5Å; L305-F309 HydrophobicContact CD2-CE2 3.79Å; L305-F309 WeakPolarHBondContact O-CB 3.45Å; L305-F309 WeakPolarHBondContact O-CD2 3.34Å; L305-F309 WeakPolarHBondContact O-CG 3.45Å; L305-F309 PolarHBondContact O-N 3.27Å; L305-S335 WeakPolarHBondContact CD1-O 3.39Å; L305-L338 HydrophobicContact CD1-CB 4.07Å; L305-L338 HydrophobicContact CD2-CB 4.33Å; L305-A339 VanDerWaalsContact CD1-CA 3.48Å; L305-A339 HydrophobicContact CD1-CB 3.74Å; L305-A339 VanDerWaalsContact CD1-N 3.34Å
306	R	75.2	Confident	66.3	Low	161 Å²	161	71.7 Å²	71.7	61%	0.608	35%	0.352	S	S	*	.	H	α-helix	trans	-62.8	-35.8	169.5	-74.4	179.3	-170.9	161.9	4	111.5	V302 E303 K304 L308 F309 A310	V302-R306 HydrophobicContact CG1-CG 4.44Å; V302-R306 WeakPolarHBondContact O-CB 3.12Å; V302-R306 VanDerWaalsContact O-CG 3.29Å; V302-R306 WeakPolarHBondContact O-CG 3.08Å; V302-R306 PolarHBondContact O-N 3.08Å; E303-R306 CarbonylContact O-C 3.53Å; E303-R306 PolarHBondContact O-N 3.37Å; K304-R306 VanDerWaalsContact C-N 3.35Å; K304-R306 PolarHBondContact O-N 3.08Å; R306-L308 VanDerWaalsContact C-N 3.33Å; R306-L308 PolarHBondContact O-N 3.37Å; R306-F309 CarbonylContact O-C 3.56Å; R306-F309 PolarHBondContact O-N 3.38Å; R306-A310 WeakPolarHBondContact O-CA 3.33Å; R306-A310 WeakPolarHBondContact O-CB 2.92Å; R306-A310 PolarHBondContact O-N 3.28Å
307	A	71.9	Confident	64.5	Low	40 Å²	40	71.1 Å²	71.1	33%	0.331	35%	0.353	S	S	.	.	H	α-helix	trans	-68	-38.9	176.5	0	0	0	0	0	110.8	V280 L281 E303 K304 L305 F309	V280-A307 HydrophobicContact CG2-CB 4.31Å; L281-A307 HydrophobicContact CD2-CB 3.97Å; E303-A307 VanDerWaalsContact O-CB 3.27Å; E303-A307 WeakPolarHBondContact O-CB 3.33Å; E303-A307 PolarHBondContact O-N 3.36Å; K304-A307 WeakPolarHBondContact O-CB 3.45Å; K304-A307 PolarHBondContact O-N 3.25Å; L305-A307 VanDerWaalsContact C-N 3.33Å; L305-A307 PolarHBondContact O-N 3.48Å; A307-F309 VanDerWaalsContact C-N 3.35Å
308	L	71.6	Confident	62.5	Low	9 Å²	9	69.7 Å²	69.7	5%	0.047	35%	0.348	C	S	.	.	H	α-helix	trans	-63.2	-38.5	174.1	-69	174.4	0	0	0	112.3	L275 V278 V280 K304 L305 R306 L326	L275-L308 HydrophobicContact CD1-CD1 3.61Å; V278-L308 HydrophobicContact CG1-CD2 4.17Å; V280-L308 HydrophobicContact CB-CD2 4.28Å; V280-L308 HydrophobicContact CG1-CD2 3.67Å; V280-L308 HydrophobicContact CG2-CD2 4.02Å; V280-L308 HydrophobicContact CG2-CG 4.05Å; K304-L308 WeakPolarHBondContact O-CB 3.44Å; K304-L308 VanDerWaalsContact O-CG 3.25Å; K304-L308 WeakPolarHBondContact O-CG 3.41Å; K304-L308 PolarHBondContact O-N 3.22Å; L305-L308 HydrophobicContact CD2-CD1 4.5Å; L305-L308 WeakPolarHBondContact O-CB 3.49Å; L305-L308 PolarHBondContact O-N 2.77Å; R306-L308 VanDerWaalsContact C-N 3.33Å; R306-L308 PolarHBondContact O-N 3.37Å; L308-L326 HydrophobicContact CB-CD1 4.36Å; L308-L326 HydrophobicContact CB-CD2 4.49Å; L308-L326 HydrophobicContact CD2-CD1 3.86Å; L308-L326 HydrophobicContact CD2-CD2 3.77Å; L308-L326 HydrophobicContact CD2-CG 4.47Å; L308-L326 WeakPolarHBondContact O-CD1 3.04Å
309	F	67.7	Low	60.5	Low	19 Å²	19	69.4 Å²	69.4	8%	0.083	35%	0.352	C	S	.	.	H	α-helix	trans	-113.8	-11.3	-172.3	-57.6	-59.1	0	0	0	115.6	L305 R306 A307 Q311 E312 L331 K332	L305-F309 HydrophobicContact CB-CD2 4.34Å; L305-F309 HydrophobicContact CB-CE2 4.43Å; L305-F309 HydrophobicContact CD2-CD2 4.5Å; L305-F309 HydrophobicContact CD2-CE2 3.79Å; L305-F309 WeakPolarHBondContact O-CB 3.45Å; L305-F309 WeakPolarHBondContact O-CD2 3.34Å; L305-F309 WeakPolarHBondContact O-CG 3.45Å; L305-F309 PolarHBondContact O-N 3.27Å; R306-F309 CarbonylContact O-C 3.56Å; R306-F309 PolarHBondContact O-N 3.38Å; A307-F309 VanDerWaalsContact C-N 3.35Å; F309-Q311 PolarHBondContact O-N 3.45Å; F309-E312 HydrophobicContact CB-CG 4.42Å; F309-E312 WeakPolarHBondContact O-CA 3.3Å; F309-E312 WeakPolarHBondContact O-CB 3.01Å; F309-E312 WeakPolarHBondContact O-CG 3.41Å; F309-E312 PolarHBondContact O-N 3.12Å; F309-L331 HydrophobicContact CZ-CD2 4.46Å; F309-L331 HydrophobicContact CZ-CG 4Å; F309-K332 HydrophobicContact CD1-CB 4.16Å; F309-K332 HydrophobicContact CE1-CB 3.48Å; F309-K332 VanDerWaalsContact CE1-CB 3.48Å; F309-K332 VanDerWaalsContact CZ-CA 3.43Å; F309-K332 HydrophobicContact CZ-CB 3.89Å
310	A	57	Low	58.4	Low	58 Å²	58	67.4 Å²	67.4	48%	0.479	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-73.9	-12.6	-179.4	0	0	0	0	0	111.6	R306 E312 F313	R306-A310 WeakPolarHBondContact O-CA 3.33Å; R306-A310 WeakPolarHBondContact O-CB 2.92Å; R306-A310 PolarHBondContact O-N 3.28Å; A310-E312 PolarHBondContact O-N 3.3Å; A310-E312 VanDerWaalsContact O-N 3.08Å; A310-F313 PolarHBondContact O-N 3.07Å
311	Q	49.9	Very low	56.3	Low	84 Å²	84	66.3 Å²	66.3	39%	0.393	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-56	-7.5	154.5	-68.7	-154.5	-23.4	0	0	113.5	F309 C321	F309-Q311 PolarHBondContact O-N 3.45Å; Q311-C321 HydrophobicContact CB-CB 3.54Å; Q311-C321 WeakPolarHBondContact CB-O 3.48Å; Q311-C321 WeakPolarHBondContact CB-SG 3.45Å; Q311-C321 HydrophobicContact CG-CB 3.96Å; Q311-C321 WeakPolarHBondContact CG-SG 3.14Å; Q311-C321 PolarHBondContact NE2-SG 3.01Å; Q311-C321 VanDerWaalsContact NE2-SG 3.4Å; Q311-C321 PolarHBondContact OE1-O 3Å; Q311-C321 VanDerWaalsContact OE1-O 3.1Å
312	E	45	Very low	54.7	Low	102 Å²	102	73.3 Å²	73.3	48%	0.477	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-84.8	-13.7	174.6	-65.9	178.6	153	0	0	114.3	F309 A310	F309-E312 HydrophobicContact CB-CG 4.42Å; F309-E312 WeakPolarHBondContact O-CA 3.3Å; F309-E312 WeakPolarHBondContact O-CB 3.01Å; F309-E312 WeakPolarHBondContact O-CG 3.41Å; F309-E312 PolarHBondContact O-N 3.12Å; A310-E312 PolarHBondContact O-N 3.3Å; A310-E312 VanDerWaalsContact O-N 3.08Å
313	F	38.3	Very low	53.7	Low	181 Å²	181	76.3 Å²	76.3	79%	0.794	38%	0.38	S	S	*	.	S	Bend	trans	-107.7	-7.9	-173.5	-79.7	-82.5	0	0	0	117.1	A310 S315	A310-F313 PolarHBondContact O-N 3.07Å; F313-S315 VanDerWaalsContact C-N 3.31Å; F313-S315 PolarHBondContact O-N 2.9Å
314	E	35.2	Very low	53.1	Low	142 Å²	142	73.3 Å²	73.3	66%	0.664	37%	0.37	S	S	*	.	S	Bend	trans	-98.6	56.1	160.6	-75.4	-170.1	178.1	0	0	110.5	V316	E314-V316 PolarHBondContact O-N 2.89Å
315	S	34	Very low	53	Low	73 Å²	73	71.7 Å²	71.7	51%	0.51	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	52.8	-175.3	72.7	0	0	0	0	113	F313	F313-S315 VanDerWaalsContact C-N 3.31Å; F313-S315 PolarHBondContact O-N 2.9Å
316	V	37	Very low	52.7	Low	75 Å²	75	73.4 Å²	73.4	46%	0.455	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.7	-28.3	160.1	-132.9	0	0	0	0	113.1	P167 V190 E314	P167-V316 HydrophobicContact CB-CB 4.46Å; P167-V316 HydrophobicContact CB-CG1 3.64Å; P167-V316 HydrophobicContact CG-CB 3.38Å; P167-V316 HydrophobicContact CG-CG1 3.06Å; P167-V316 HydrophobicContact CG-CG2 4.46Å; V190-V316 VanDerWaalsContact CG1-O 3.24Å; V190-V316 WeakPolarHBondContact CG1-O 3.28Å; V190-V316 HydrophobicContact CG2-CG1 3.37Å; E314-V316 PolarHBondContact O-N 2.89Å
317	S	40.2	Very low	52.6	Low	42 Å²	42	70.7 Å²	70.7	29%	0.294	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-35.6	-171.6	36.9	0	0	0	0	115.5	K194 P319	K194-S317 PolarHBondContact NZ-O 3.41Å; S317-P319 WeakPolarHBondContact O-CD 3.5Å
318	D	39.6	Very low	53	Low	58 Å²	58	68.9 Å²	68.9	31%	0.31	35%	0.351	S	S	.	.			trans	-105.7	103.2	-173.6	-169.9	2.5	0	0	0	114.4	M320 C321	D318-M320 PolarHBondContact O-N 2.94Å; D318-M320 WeakPolarHBondContact OD1-CA 3.25Å; D318-M320 VanDerWaalsContact OD1-CB 3.24Å; D318-M320 WeakPolarHBondContact OD1-CB 3.43Å; D318-M320 PolarHBondContact OD1-N 3.31Å; D318-C321 HydrophobicContact CB-CB 4.34Å; D318-C321 PolarHBondContact OD2-SG 3.43Å
319	P	41.1	Very low	53.6	Low	57 Å²	57	69.8 Å²	69.8	37%	0.37	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-6.2	173.2	28.1	-31.8	0	0	0	114.7	S317	S317-P319 WeakPolarHBondContact O-CD 3.5Å
320	M	37.2	Very low	54.3	Low	93 Å²	93	68.9 Å²	68.9	46%	0.458	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-25.4	175.7	-61.4	-139.5	79.3	0	0	112.8	D318 R322 R323	D318-M320 PolarHBondContact O-N 2.94Å; D318-M320 WeakPolarHBondContact OD1-CA 3.25Å; D318-M320 VanDerWaalsContact OD1-CB 3.24Å; D318-M320 WeakPolarHBondContact OD1-CB 3.43Å; D318-M320 PolarHBondContact OD1-N 3.31Å; M320-R322 PolarHBondContact O-N 3.4Å; M320-R322 VanDerWaalsContact O-N 3.12Å; M320-R323 VanDerWaalsContact CE-NH1 3.31Å; M320-R323 WeakPolarHBondContact O-CG 3.27Å
321	C	38.7	Very low	55.6	Low	24 Å²	24	66.2 Å²	66.2	16%	0.162	33%	0.329	C	S	.	.	S	Bend	trans	-69.2	-8.6	-172.2	-89.6	0	0	0	0	116.3	Q311 D318	Q311-C321 HydrophobicContact CB-CB 3.54Å; Q311-C321 WeakPolarHBondContact CB-O 3.48Å; Q311-C321 WeakPolarHBondContact CB-SG 3.45Å; Q311-C321 HydrophobicContact CG-CB 3.96Å; Q311-C321 WeakPolarHBondContact CG-SG 3.14Å; Q311-C321 PolarHBondContact NE2-SG 3.01Å; Q311-C321 VanDerWaalsContact NE2-SG 3.4Å; Q311-C321 PolarHBondContact OE1-O 3Å; Q311-C321 VanDerWaalsContact OE1-O 3.1Å; D318-C321 HydrophobicContact CB-CB 4.34Å; D318-C321 PolarHBondContact OD2-SG 3.43Å
322	R	51.3	Low	57.2	Low	166 Å²	166	65.7 Å²	65.7	63%	0.626	33%	0.326	S	S	*	.	S	Bend	trans	-120.2	64.4	178	-62.7	-173.1	-171	-166.6	1.3	110.3	M320 Q327	M320-R322 PolarHBondContact O-N 3.4Å; M320-R322 VanDerWaalsContact O-N 3.12Å; R322-Q327 PolarHBondContact O-NE2 3.27Å
323	R	60	Low	59.4	Low	95 Å²	95	62.2 Å²	62.2	36%	0.358	31%	0.31	S	S	.	.			trans	-125.9	149.2	-179.2	-67.1	-172.6	-176.8	-167.3	3.1	113.9	H100 M320	H100-R323 HydrophobicContact CB-CB 4.29Å; H100-R323 VanDerWaalsContact O-CD 3.32Å; H100-R323 WeakPolarHBondContact O-CD 3.45Å; H100-R323 PolarHBondContact O-NH1 3.22Å; H100-R323 VanDerWaalsContact O-NH1 3.09Å; M320-R323 VanDerWaalsContact CE-NH1 3.31Å; M320-R323 WeakPolarHBondContact O-CG 3.27Å
324	G	67.3	Low	61.9	Low	13 Å²	13	53.6 Å²	53.6	13%	0.134	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	64.2	-139.1	171.9	0	0	0	0	0	115.3	Y68 L326 Q327	Y68-G324 WeakPolarHBondContact OH-CA 3.5Å; G324-L326 PolarHBondContact O-N 3.18Å; G324-Q327 PolarHBondContact O-N 2.95Å
325	L	76.2	Confident	64.4	Low	5 Å²	5	48.1 Å²	48.1	3%	0.026	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-62.5	-26.3	-166	-159.8	61.9	0	0	0	114.5	Y68 I71 T75 P96 F274 Q327 S328	Y68-L325 HydrophobicContact CD2-CB 4.36Å; Y68-L325 HydrophobicContact CD2-CD1 3.57Å; Y68-L325 HydrophobicContact CG-CB 4.38Å; Y68-L325 HydrophobicContact CG-CD1 3.69Å; I71-L325 HydrophobicContact CD1-CD1 3.16Å; I71-L325 HydrophobicContact CD1-CD2 3.62Å; I71-L325 HydrophobicContact CD1-CG 3.4Å; I71-L325 HydrophobicContact CG1-CD1 3.61Å; I71-L325 HydrophobicContact CG1-CD2 3.74Å; I71-L325 HydrophobicContact CG1-CG 4Å; I71-L325 HydrophobicContact CG2-CD2 4.4Å; T75-L325 HydrophobicContact CG2-CD1 4.47Å; P96-L325 HydrophobicContact CB-CD2 3.66Å; P96-L325 HydrophobicContact CG-CD2 3.86Å; F274-L325 HydrophobicContact CD2-CD2 4.18Å; F274-L325 HydrophobicContact CE2-CD2 3.35Å; F274-L325 HydrophobicContact CZ-CD2 3.54Å; F274-L325 HydrophobicContact CZ-CG 4.45Å; L325-Q327 PolarHBondContact O-N 3.05Å; L325-Q327 VanDerWaalsContact O-N 3.17Å; L325-S328 WeakPolarHBondContact O-CB 3.17Å; L325-S328 PolarHBondContact O-N 3.37Å; L325-S328 PolarHBondContact O-OG 3.16Å
326	L	71.5	Confident	67	Low	45 Å²	45	50 Å²	50	24%	0.236	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-68	-14.1	-179	-53.4	-177.9	0	0	0	113	L308 G324 S328 L331	L308-L326 HydrophobicContact CB-CD1 4.36Å; L308-L326 HydrophobicContact CB-CD2 4.49Å; L308-L326 HydrophobicContact CD2-CD1 3.86Å; L308-L326 HydrophobicContact CD2-CD2 3.77Å; L308-L326 HydrophobicContact CD2-CG 4.47Å; L308-L326 WeakPolarHBondContact O-CD1 3.04Å; G324-L326 PolarHBondContact O-N 3.18Å; L326-S328 VanDerWaalsContact C-N 3.26Å; L326-L331 HydrophobicContact CD2-CD2 3.54Å
327	Q	73.9	Confident	69.7	Low	104 Å²	104	47.4 Å²	47.4	49%	0.486	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-78.6	-8.9	170.6	-61.7	-168.9	7.7	0	0	113.8	R322 G324 L325	R322-Q327 PolarHBondContact O-NE2 3.27Å; G324-Q327 PolarHBondContact O-N 2.95Å; L325-Q327 PolarHBondContact O-N 3.05Å; L325-Q327 VanDerWaalsContact O-N 3.17Å
328	S	79.9	Confident	72	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.007	22%	0.222	C	C	.	.	S	Bend	trans	-59.2	142.6	-179.3	61.9	0	0	0	0	111.4	L325 L326	L325-S328 WeakPolarHBondContact O-CB 3.17Å; L325-S328 PolarHBondContact O-N 3.37Å; L325-S328 PolarHBondContact O-OG 3.16Å; L326-S328 VanDerWaalsContact C-N 3.26Å
329	I	84.5	Confident	74.4	Confident	29 Å²	29	43.6 Å²	43.6	15%	0.149	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	128.7	171.5	-60.2	170.2	0	0	0	106.6	V361 A364 Y368	I329-V361 HydrophobicContact CG2-CG1 4.11Å; I329-A364 HydrophobicContact CD1-CB 4.26Å; I329-A364 HydrophobicContact CG1-CB 4.24Å; I329-A364 HydrophobicContact CG2-CB 3.67Å; I329-Y368 HydrophobicContact CD1-CD1 4.27Å; I329-Y368 HydrophobicContact CD1-CG 4.12Å
330	G	83.3	Confident	76.7	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	124.5	-65.6	-171.6	0	0	0	0	0	110.2	K332 E333 F334	G330-K332 PolarHBondContact O-N 2.92Å; G330-E333 PolarHBondContact N-OE2 3.01Å; G330-E333 PolarHBondContact O-N 3.22Å; G330-F334 WeakPolarHBondContact O-CD2 3.41Å; G330-F334 PolarHBondContact O-N 3.49Å
331	L	83.6	Confident	79.2	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-51.5	-170.7	-175.6	66	0	0	0	113	L271 F274 F309 L326 F334 S335 L338	L271-L331 HydrophobicContact CD2-CB 4.14Å; L271-L331 HydrophobicContact CD2-CD1 3.81Å; F274-L331 HydrophobicContact CD1-CD1 3.99Å; F274-L331 HydrophobicContact CD1-CD2 4.3Å; F274-L331 HydrophobicContact CE1-CD1 4.22Å; F274-L331 HydrophobicContact CE1-CD2 3.71Å; F309-L331 HydrophobicContact CZ-CD2 4.46Å; F309-L331 HydrophobicContact CZ-CG 4Å; L326-L331 HydrophobicContact CD2-CD2 3.54Å; L331-F334 PolarHBondContact O-N 3.23Å; L331-S335 PolarHBondContact O-N 3.35Å; L331-L338 HydrophobicContact CD1-CD1 4.2Å
332	K	83.8	Confident	81.5	Confident	73 Å²	73	40.8 Å²	40.8	32%	0.317	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-32.2	-179.7	69.5	-171.2	-178.8	-170.7	0	113.5	F309 G330 F334 S335	F309-K332 HydrophobicContact CD1-CB 4.16Å; F309-K332 HydrophobicContact CE1-CB 3.48Å; F309-K332 VanDerWaalsContact CE1-CB 3.48Å; F309-K332 VanDerWaalsContact CZ-CA 3.43Å; F309-K332 HydrophobicContact CZ-CB 3.89Å; G330-K332 PolarHBondContact O-N 2.92Å; K332-F334 VanDerWaalsContact C-N 3.25Å; K332-F334 PolarHBondContact O-N 2.92Å; K332-S335 WeakPolarHBondContact O-CB 2.99Å; K332-S335 PolarHBondContact O-N 3.33Å; K332-S335 PolarHBondContact O-OG 3.05Å; K332-S335 VanDerWaalsContact O-OG 3.13Å
333	E	90.9	Very high	83.1	Confident	30 Å²	30	40.8 Å²	40.8	14%	0.14	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-26.6	177.5	-74.1	80.4	-164.1	0	0	112.1	G330 A357 N360 V361	G330-E333 PolarHBondContact N-OE2 3.01Å; G330-E333 PolarHBondContact O-N 3.22Å; E333-A357 WeakPolarHBondContact O-CB 3.34Å; E333-N360 HydrophobicContact CB-CB 4.02Å; E333-N360 HydrophobicContact CG-CB 3.66Å; E333-V361 HydrophobicContact CB-CG2 3.5Å; E333-V361 HydrophobicContact CG-CG2 3.99Å
334	F	90.7	Very high	84.5	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	4.6	174.5	-76.9	-70.8	0	0	0	113.9	L263 L267 V268 L271 G330 L331 K332 D336 Y337 L338 L354 A357 V361	L263-F334 HydrophobicContact CD2-CE1 4.23Å; L263-F334 HydrophobicContact CD2-CE2 4.18Å; L263-F334 HydrophobicContact CD2-CZ 3.53Å; L267-F334 HydrophobicContact CD2-CD2 4.49Å; L267-F334 HydrophobicContact CD2-CE2 3.75Å; L267-F334 HydrophobicContact CD2-CZ 4.49Å; L267-F334 HydrophobicContact CG-CE2 4.49Å; V268-F334 HydrophobicContact CG2-CE1 4.47Å; L271-F334 HydrophobicContact CD1-CB 4.1Å; L271-F334 HydrophobicContact CD1-CD2 3.65Å; L271-F334 HydrophobicContact CD1-CG 4.1Å; G330-F334 WeakPolarHBondContact O-CD2 3.41Å; G330-F334 PolarHBondContact O-N 3.49Å; L331-F334 PolarHBondContact O-N 3.23Å; K332-F334 VanDerWaalsContact C-N 3.25Å; K332-F334 PolarHBondContact O-N 2.92Å; F334-D336 VanDerWaalsContact C-N 3.34Å; F334-D336 PolarHBondContact O-N 3.39Å; F334-Y337 PolarHBondContact O-N 3.07Å; F334-Y337 VanDerWaalsContact O-N 3.1Å; F334-L338 HydrophobicContact CB-CD1 3.83Å; F334-L338 HydrophobicContact CB-CG 4.02Å; F334-L338 WeakPolarHBondContact O-CB 3.41Å; F334-L338 VanDerWaalsContact O-CG 3.32Å; F334-L338 WeakPolarHBondContact O-CG 3.28Å; F334-L338 PolarHBondContact O-N 3.11Å; F334-L354 HydrophobicContact CD1-CD1 4.26Å; F334-L354 HydrophobicContact CE1-CD1 3.71Å; F334-A357 HydrophobicContact CD1-CB 3.38Å; F334-A357 HydrophobicContact CE1-CB 3.38Å; F334-A357 HydrophobicContact CG-CB 4.04Å; F334-A357 HydrophobicContact CZ-CB 4.04Å; F334-V361 HydrophobicContact CD2-CG2 4.24Å; F334-V361 HydrophobicContact CE2-CG2 3.69Å; F334-V361 HydrophobicContact CZ-CG2 4.35Å
335	S	87.6	Confident	85.6	Confident	26 Å²	26	39.6 Å²	39.6	18%	0.182	20%	0.202	C	C	.	.	H	α-helix	trans	-52	-48.6	-174.1	62.3	0	0	0	0	113.3	L305 L331 K332 Y337 L338 A339	L305-S335 WeakPolarHBondContact CD1-O 3.39Å; L331-S335 PolarHBondContact O-N 3.35Å; K332-S335 WeakPolarHBondContact O-CB 2.99Å; K332-S335 PolarHBondContact O-N 3.33Å; K332-S335 PolarHBondContact O-OG 3.05Å; K332-S335 VanDerWaalsContact O-OG 3.13Å; S335-Y337 VanDerWaalsContact C-N 3.32Å; S335-Y337 PolarHBondContact O-N 3.24Å; S335-L338 PolarHBondContact O-N 3.43Å; S335-A339 WeakPolarHBondContact O-CB 3.26Å; S335-A339 PolarHBondContact O-N 3.49Å; S335-A339 VanDerWaalsContact O-N 3.07Å
336	D	89.3	Confident	86.2	Confident	113 Å²	113	46.6 Å²	46.6	60%	0.604	24%	0.239	S	C	*	.	H	α-helix	trans	-69.8	-32.5	-175.7	-62.1	-16.2	0	0	0	111.8	F334 L353	F334-D336 VanDerWaalsContact C-N 3.34Å; F334-D336 PolarHBondContact O-N 3.39Å; D336-L353 HydrophobicContact CB-CD2 4.26Å
337	Y	92.3	Very high	87.2	Confident	21 Å²	21	47.5 Å²	47.5	8%	0.082	25%	0.247	C	C	.	.	H	α-helix	trans	-75.7	-41.5	176.4	-177.8	-93.8	0	0	0	111.8	V268 F334 S335 A339 L340 R345 A350 L353 L354	V268-Y337 HydrophobicContact CG1-CD1 4.28Å; V268-Y337 HydrophobicContact CG1-CE1 3.66Å; F334-Y337 PolarHBondContact O-N 3.07Å; F334-Y337 VanDerWaalsContact O-N 3.1Å; S335-Y337 VanDerWaalsContact C-N 3.32Å; S335-Y337 PolarHBondContact O-N 3.24Å; Y337-A339 PolarHBondContact O-N 2.77Å; Y337-L340 HydrophobicContact CD2-CD1 4.43Å; Y337-L340 WeakPolarHBondContact O-CB 3.48Å; Y337-L340 PolarHBondContact O-N 2.76Å; Y337-L340 VanDerWaalsContact O-N 3.16Å; Y337-R345 HydrophobicContact CE1-CG 4.5Å; Y337-R345 HydrophobicContact CE2-CG 4.32Å; Y337-A350 WeakPolarHBondContact CD2-O 3.49Å; Y337-A350 HydrophobicContact CE2-CB 4.21Å; Y337-A350 WeakPolarHBondContact CE2-O 3.35Å; Y337-L353 HydrophobicContact CD2-CB 4.24Å; Y337-L354 HydrophobicContact CD1-CD1 4.01Å; Y337-L354 HydrophobicContact CD2-CB 3.76Å; Y337-L354 HydrophobicContact CD2-CD1 4.19Å; Y337-L354 HydrophobicContact CE1-CD1 3.82Å; Y337-L354 HydrophobicContact CE2-CB 3.65Å; Y337-L354 HydrophobicContact CE2-CD1 3.99Å; Y337-L354 HydrophobicContact CE2-CG 4.26Å; Y337-L354 HydrophobicContact CG-CB 4.45Å; Y337-L354 HydrophobicContact CG-CD1 4.19Å
338	L	90.4	Very high	88.1	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-68.7	-21	178.2	-68.7	169.9	0	0	0	112.8	L271 L275 L305 L331 F334 S335 L340	L271-L338 HydrophobicContact CB-CD1 3.93Å; L271-L338 HydrophobicContact CB-CD2 4.1Å; L271-L338 HydrophobicContact CD1-CD1 4.35Å; L275-L338 HydrophobicContact CD2-CB 4.41Å; L305-L338 HydrophobicContact CD1-CB 4.07Å; L305-L338 HydrophobicContact CD2-CB 4.33Å; L331-L338 HydrophobicContact CD1-CD1 4.2Å; F334-L338 HydrophobicContact CB-CD1 3.83Å; F334-L338 HydrophobicContact CB-CG 4.02Å; F334-L338 WeakPolarHBondContact O-CB 3.41Å; F334-L338 VanDerWaalsContact O-CG 3.32Å; F334-L338 WeakPolarHBondContact O-CG 3.28Å; F334-L338 PolarHBondContact O-N 3.11Å; S335-L338 PolarHBondContact O-N 3.43Å; L338-L340 PolarHBondContact O-N 2.85Å
339	A	89.3	Confident	88.8	Confident	19 Å²	19	56.1 Å²	56.1	16%	0.157	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-21.2	173.5	0	0	0	0	0	113.2	V302 L305 S335 Y337	V302-A339 HydrophobicContact CG2-CB 3.99Å; L305-A339 VanDerWaalsContact CD1-CA 3.48Å; L305-A339 HydrophobicContact CD1-CB 3.74Å; L305-A339 VanDerWaalsContact CD1-N 3.34Å; S335-A339 WeakPolarHBondContact O-CB 3.26Å; S335-A339 PolarHBondContact O-N 3.49Å; S335-A339 VanDerWaalsContact O-N 3.07Å; Y337-A339 PolarHBondContact O-N 2.77Å
340	L	90.1	Very high	89.2	Confident	29 Å²	29	54.8 Å²	54.8	15%	0.152	29%	0.288	C	S	.	.	S	Bend	trans	-73.9	139.8	174.4	-58.9	179	0	0	0	110.6	Y337 L338 E344 R345 A350 L353	Y337-L340 HydrophobicContact CD2-CD1 4.43Å; Y337-L340 WeakPolarHBondContact O-CB 3.48Å; Y337-L340 PolarHBondContact O-N 2.76Å; Y337-L340 VanDerWaalsContact O-N 3.16Å; L338-L340 PolarHBondContact O-N 2.85Å; L340-E344 HydrophobicContact CB-CB 4.25Å; L340-R345 HydrophobicContact CB-CG 4.13Å; L340-R345 PolarHBondContact O-NE 3.45Å; L340-R345 PolarHBondContact O-NH2 3.27Å; L340-A350 HydrophobicContact CD1-CB 3.48Å; L340-A350 VanDerWaalsContact CD1-CB 3.48Å; L340-L353 HydrophobicContact CD1-CD1 4.07Å
341	L	87.9	Confident	89.7	Confident	11 Å²	11	58.2 Å²	58.2	6%	0.058	31%	0.307	C	S	.	.			trans	-64.3	152.3	169	-66.8	176.5	0	0	0	110.1	P294 E297 K298 E343 E344 R345	P294-L341 HydrophobicContact CB-CD1 3.95Å; P294-L341 WeakPolarHBondContact O-CD1 3.12Å; E297-L341 HydrophobicContact CB-CD2 4.05Å; E297-L341 HydrophobicContact CG-CD2 3.79Å; K298-L341 HydrophobicContact CB-CD1 4.06Å; K298-L341 HydrophobicContact CB-CD2 4.2Å; K298-L341 HydrophobicContact CB-CG 3.95Å; K298-L341 HydrophobicContact CG-CG 4.37Å; L341-E343 PolarHBondContact O-N 3.27Å; L341-E343 VanDerWaalsContact O-N 3.11Å; L341-E344 HydrophobicContact CB-CG 4.16Å; L341-E344 PolarHBondContact N-OE2 3.39Å; L341-E344 VanDerWaalsContact N-OE2 3.08Å; L341-E344 PolarHBondContact O-N 3.05Å; L341-R345 WeakPolarHBondContact O-CG 3.49Å
342	P	87	Confident	90.2	Very high	76 Å²	76	61 Å²	61	49%	0.494	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-49.8	-38.6	176.8	-29.5	36.6	0	0	0	113.8	E344 R345	P342-E344 VanDerWaalsContact C-N 3.28Å; P342-E344 PolarHBondContact O-N 3.4Å; P342-R345 PolarHBondContact O-N 3.14Å
343	E	86.7	Confident	90.7	Very high	166 Å²	166	60.4 Å²	60.4	78%	0.776	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-67.5	-23.6	179.8	-57	178.4	-171.2	0	0	113.8	L341	L341-E343 PolarHBondContact O-N 3.27Å; L341-E343 VanDerWaalsContact O-N 3.11Å
344	E	88.4	Confident	90.9	Very high	58 Å²	58	61 Å²	61	27%	0.271	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-86.7	-9	-178.2	-61.4	-178.3	128.8	0	0	112.8	K298 L340 L341 P342 D346 T347 A350	K298-E344 WeakPolarHBondContact CE-OE2 3.44Å; K298-E344 IonicContact NZ-OE1 2.95Å; K298-E344 PolarHBondContact NZ-OE1 3.4Å; K298-E344 IonicContact NZ-OE2 3.48Å; K298-E344 PolarHBondContact NZ-OE2 2.93Å; L340-E344 HydrophobicContact CB-CB 4.25Å; L341-E344 HydrophobicContact CB-CG 4.16Å; L341-E344 PolarHBondContact N-OE2 3.39Å; L341-E344 VanDerWaalsContact N-OE2 3.08Å; L341-E344 PolarHBondContact O-N 3.05Å; P342-E344 VanDerWaalsContact C-N 3.28Å; P342-E344 PolarHBondContact O-N 3.4Å; E344-D346 PolarHBondContact O-N 3.46Å; E344-T347 WeakPolarHBondContact O-CG2 3.49Å; E344-T347 PolarHBondContact O-N 2.95Å; E344-T347 PolarHBondContact O-OG1 3.27Å; E344-A350 WeakPolarHBondContact O-CB 3.45Å
345	R	90	Very high	91.1	Very high	25 Å²	25	68.2 Å²	68.2	9%	0.094	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-13.8	-168.5	-68.8	174.7	-173.8	-174.8	-3.9	114.7	D272 Y337 L340 L341 P342 T347 A350	D272-R345 IonicContact OD1-CZ 2.64Å; D272-R345 IonicContact OD1-NH1 2.93Å; D272-R345 IonicContact OD1-NH2 2.71Å; D272-R345 PolarHBondContact OD1-NH2 2.96Å; D272-R345 IonicContact OD2-CZ 3.05Å; D272-R345 IonicContact OD2-NH1 3.79Å; D272-R345 PolarHBondContact OD2-NH1 3.04Å; D272-R345 IonicContact OD2-NH2 2.88Å; D272-R345 PolarHBondContact OD2-NH2 3.23Å; Y337-R345 HydrophobicContact CE1-CG 4.5Å; Y337-R345 HydrophobicContact CE2-CG 4.32Å; L340-R345 HydrophobicContact CB-CG 4.13Å; L340-R345 PolarHBondContact O-NE 3.45Å; L340-R345 PolarHBondContact O-NH2 3.27Å; L341-R345 WeakPolarHBondContact O-CG 3.49Å; P342-R345 PolarHBondContact O-N 3.14Å; R345-T347 PolarHBondContact O-N 3.04Å; R345-A350 WeakPolarHBondContact O-CB 3.25Å
346	D	89.2	Confident	91.5	Very high	152 Å²	152	72.2 Å²	72.2	81%	0.813	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	0.9	175.7	-68	-29	0	0	0	113.1	E344	E344-D346 PolarHBondContact O-N 3.46Å
347	T	93	Very high	91.8	Very high	64 Å²	64	67 Å²	67	39%	0.393	35%	0.354	S	S	.	.	S	Bend	trans	-78.3	157.8	179.8	63.6	0	0	0	0	112.8	E344 R345 E349 A350 N351	E344-T347 WeakPolarHBondContact O-CG2 3.49Å; E344-T347 PolarHBondContact O-N 2.95Å; E344-T347 PolarHBondContact O-OG1 3.27Å; R345-T347 PolarHBondContact O-N 3.04Å; T347-E349 PolarHBondContact O-N 3.49Å; T347-A350 PolarHBondContact O-N 2.86Å; T347-A350 VanDerWaalsContact OG1-CB 3.26Å; T347-A350 WeakPolarHBondContact OG1-CB 3.45Å; T347-A350 PolarHBondContact OG1-N 3.24Å; T347-A350 VanDerWaalsContact OG1-N 3.14Å; T347-N351 PolarHBondContact O-N 2.9Å; T347-N351 VanDerWaalsContact O-N 3.13Å; T347-N351 PolarHBondContact O-ND2 3.1Å
348	V	93.1	Very high	92	Very high	129 Å²	129	66.4 Å²	66.4	78%	0.782	35%	0.353	S	S	*	.	H	α-helix	trans	-61.9	-36	174	179.5	0	0	0	0	111	N351 A352	V348-N351 PolarHBondContact O-N 3.2Å; V348-A352 PolarHBondContact O-N 2.91Å; V348-A352 VanDerWaalsContact O-N 3.09Å
349	E	92.8	Very high	92.3	Very high	156 Å²	156	70.4 Å²	70.4	73%	0.729	37%	0.372	S	S	*	.	H	α-helix	trans	-67.4	-45.9	178.9	-63.1	-178	178.2	0	0	111.8	T347 N351 A352 L353	T347-E349 PolarHBondContact O-N 3.49Å; E349-N351 VanDerWaalsContact C-N 3.32Å; E349-N351 PolarHBondContact O-N 2.78Å; E349-A352 WeakPolarHBondContact O-CB 3.47Å; E349-A352 PolarHBondContact O-N 2.8Å; E349-A352 VanDerWaalsContact O-N 3.09Å; E349-L353 PolarHBondContact O-N 3.49Å
350	A	93.1	Very high	92.5	Very high	1 Å²	1	72.7 Å²	72.7	1%	0.008	38%	0.381	C	S	.	.	H	α-helix	trans	-60.1	-42.1	175.3	0	0	0	0	0	112.1	Y337 L340 E344 R345 T347 A352 L353 L354	Y337-A350 WeakPolarHBondContact CD2-O 3.49Å; Y337-A350 HydrophobicContact CE2-CB 4.21Å; Y337-A350 WeakPolarHBondContact CE2-O 3.35Å; L340-A350 HydrophobicContact CD1-CB 3.48Å; L340-A350 VanDerWaalsContact CD1-CB 3.48Å; E344-A350 WeakPolarHBondContact O-CB 3.45Å; R345-A350 WeakPolarHBondContact O-CB 3.25Å; T347-A350 PolarHBondContact O-N 2.86Å; T347-A350 VanDerWaalsContact OG1-CB 3.26Å; T347-A350 WeakPolarHBondContact OG1-CB 3.45Å; T347-A350 PolarHBondContact OG1-N 3.24Å; T347-A350 VanDerWaalsContact OG1-N 3.14Å; A350-A352 VanDerWaalsContact C-N 3.28Å; A350-A352 PolarHBondContact O-N 3.4Å; A350-L353 WeakPolarHBondContact O-CB 3.44Å; A350-L353 PolarHBondContact O-N 3.25Å; A350-L354 PolarHBondContact O-N 3.09Å
351	N	93.9	Very high	92.7	Very high	72 Å²	72	71.3 Å²	71.3	39%	0.385	37%	0.374	S	S	.	.	H	α-helix	trans	-61.7	-34.8	174.6	-81.8	-63.2	0	0	0	112.9	T347 V348 E349 K355	T347-N351 PolarHBondContact O-N 2.9Å; T347-N351 VanDerWaalsContact O-N 3.13Å; T347-N351 PolarHBondContact O-ND2 3.1Å; V348-N351 PolarHBondContact O-N 3.2Å; E349-N351 VanDerWaalsContact C-N 3.32Å; E349-N351 PolarHBondContact O-N 2.78Å; N351-K355 WeakPolarHBondContact O-CG 3.37Å; N351-K355 PolarHBondContact O-N 3.49Å; N351-K355 VanDerWaalsContact O-N 3.12Å
352	A	95.4	Very high	93.2	Very high	59 Å²	59	71.9 Å²	71.9	49%	0.488	38%	0.376	S	S	.	.	H	α-helix	trans	-68.2	-42.7	174.4	0	0	0	0	0	111.6	V348 E349 A350 K355 Q356	V348-A352 PolarHBondContact O-N 2.91Å; V348-A352 VanDerWaalsContact O-N 3.09Å; E349-A352 WeakPolarHBondContact O-CB 3.47Å; E349-A352 PolarHBondContact O-N 2.8Å; E349-A352 VanDerWaalsContact O-N 3.09Å; A350-A352 VanDerWaalsContact C-N 3.28Å; A350-A352 PolarHBondContact O-N 3.4Å; A352-K355 PolarHBondContact O-N 3.07Å; A352-Q356 WeakPolarHBondContact O-CB 3.47Å; A352-Q356 PolarHBondContact O-N 3.2Å
353	L	94.5	Very high	93.6	Very high	61 Å²	61	70.7 Å²	70.7	32%	0.319	37%	0.368	S	S	.	.	H	α-helix	trans	-61.2	-43.8	174.3	-70.4	173.1	0	0	0	111.7	D336 Y337 L340 E349 A350 K355 Q356 A357	D336-L353 HydrophobicContact CB-CD2 4.26Å; Y337-L353 HydrophobicContact CD2-CB 4.24Å; L340-L353 HydrophobicContact CD1-CD1 4.07Å; E349-L353 PolarHBondContact O-N 3.49Å; A350-L353 WeakPolarHBondContact O-CB 3.44Å; A350-L353 PolarHBondContact O-N 3.25Å; L353-K355 PolarHBondContact O-N 3.35Å; L353-Q356 PolarHBondContact O-N 3.38Å; L353-A357 WeakPolarHBondContact O-CB 3.21Å; L353-A357 PolarHBondContact O-N 2.78Å
354	L	94.1	Very high	93.9	Very high	44 Å²	44	63.3 Å²	63.3	23%	0.23	34%	0.335	C	S	.	.	H	α-helix	trans	-59.3	-47.2	177.3	-174.1	69.9	0	0	0	111.7	V268 F334 Y337 A350 A357 A358	V268-L354 HydrophobicContact CG2-CD1 3.88Å; F334-L354 HydrophobicContact CD1-CD1 4.26Å; F334-L354 HydrophobicContact CE1-CD1 3.71Å; Y337-L354 HydrophobicContact CD1-CD1 4.01Å; Y337-L354 HydrophobicContact CD2-CB 3.76Å; Y337-L354 HydrophobicContact CD2-CD1 4.19Å; Y337-L354 HydrophobicContact CE1-CD1 3.82Å; Y337-L354 HydrophobicContact CE2-CB 3.65Å; Y337-L354 HydrophobicContact CE2-CD1 3.99Å; Y337-L354 HydrophobicContact CE2-CG 4.26Å; Y337-L354 HydrophobicContact CG-CB 4.45Å; Y337-L354 HydrophobicContact CG-CD1 4.19Å; A350-L354 PolarHBondContact O-N 3.09Å; L354-A357 PolarHBondContact O-N 3.26Å; L354-A358 WeakPolarHBondContact O-CB 3.48Å; L354-A358 PolarHBondContact O-N 3.29Å
355	K	95.3	Very high	94.2	Very high	151 Å²	151	61.4 Å²	61.4	66%	0.657	33%	0.327	S	S	*	.	H	α-helix	trans	-63.2	-42.5	177.5	-74.2	176.2	-176.6	177	0	111.7	N351 A352 L353 A358 E359	N351-K355 WeakPolarHBondContact O-CG 3.37Å; N351-K355 PolarHBondContact O-N 3.49Å; N351-K355 VanDerWaalsContact O-N 3.12Å; A352-K355 PolarHBondContact O-N 3.07Å; L353-K355 PolarHBondContact O-N 3.35Å; K355-A358 PolarHBondContact O-N 3.02Å; K355-E359 PolarHBondContact O-N 3.31Å
356	Q	96	Very high	94.5	Very high	110 Å²	110	62.2 Å²	62.2	51%	0.514	33%	0.331	S	S	.	.	H	α-helix	trans	-64.2	-44.4	177.7	-175.5	58.9	52.3	0	0	111.5	A352 L353 A358 E359 N360	A352-Q356 WeakPolarHBondContact O-CB 3.47Å; A352-Q356 PolarHBondContact O-N 3.2Å; L353-Q356 PolarHBondContact O-N 3.38Å; Q356-A358 PolarHBondContact O-N 2.93Å; Q356-E359 PolarHBondContact O-N 3.1Å; Q356-N360 PolarHBondContact NE2-OD1 3.38Å; Q356-N360 PolarHBondContact O-N 2.93Å; Q356-N360 PolarHBondContact O-ND2 2.97Å
357	A	94.7	Very high	94.7	Very high	3 Å²	3	59.8 Å²	59.8	3%	0.025	31%	0.314	C	S	.	.	H	α-helix	trans	-58.9	-45.7	175	0	0	0	0	0	111.4	E333 F334 L353 L354 E359 N360 V361	E333-A357 WeakPolarHBondContact O-CB 3.34Å; F334-A357 HydrophobicContact CD1-CB 3.38Å; F334-A357 HydrophobicContact CE1-CB 3.38Å; F334-A357 HydrophobicContact CG-CB 4.04Å; F334-A357 HydrophobicContact CZ-CB 4.04Å; L353-A357 WeakPolarHBondContact O-CB 3.21Å; L353-A357 PolarHBondContact O-N 2.78Å; L354-A357 PolarHBondContact O-N 3.26Å; A357-E359 PolarHBondContact O-N 2.77Å; A357-N360 WeakPolarHBondContact O-CB 3.31Å; A357-N360 PolarHBondContact O-N 3.08Å; A357-N360 VanDerWaalsContact O-N 3.14Å; A357-V361 WeakPolarHBondContact O-CG2 3.43Å; A357-V361 PolarHBondContact O-N 2.61Å
358	A	96.2	Very high	94.7	Very high	9 Å²	9	59.1 Å²	59.1	7%	0.074	31%	0.305	C	S	.	.	H	α-helix	trans	-58	-43.7	175.3	0	0	0	0	0	112.6	L263 L354 K355 Q356 V361 K362	L263-A358 HydrophobicContact CD1-CB 3.7Å; L354-A358 WeakPolarHBondContact O-CB 3.48Å; L354-A358 PolarHBondContact O-N 3.29Å; K355-A358 PolarHBondContact O-N 3.02Å; Q356-A358 PolarHBondContact O-N 2.93Å; A358-V361 PolarHBondContact O-N 3.24Å; A358-K362 WeakPolarHBondContact O-CG 3.31Å; A358-K362 PolarHBondContact O-N 3.19Å
359	E	96.9	Very high	94.8	Very high	83 Å²	83	53.1 Å²	53.1	39%	0.388	27%	0.269	S	S	.	.	H	α-helix	trans	-67.5	-34	175.9	-72.5	-52.6	127.8	0	0	113.2	K355 Q356 A357 K362 T363	K355-E359 PolarHBondContact O-N 3.31Å; Q356-E359 PolarHBondContact O-N 3.1Å; A357-E359 PolarHBondContact O-N 2.77Å; E359-K362 PolarHBondContact O-N 3.38Å; E359-K362 WeakPolarHBondContact OE1-CD 3.24Å; E359-K362 IonicContact OE1-NZ 3.71Å; E359-K362 PolarHBondContact OE1-NZ 3.26Å; E359-T363 WeakPolarHBondContact O-CB 3.29Å; E359-T363 PolarHBondContact O-N 3.23Å; E359-T363 PolarHBondContact O-OG1 3.05Å
360	N	94.8	Very high	94.8	Very high	67 Å²	67	53 Å²	53	36%	0.358	26%	0.261	S	S	.	.	H	α-helix	trans	-64.9	-44.7	172.6	-68.1	-18.6	0	0	0	110.7	E333 Q356 A357 K362 T363 A364	E333-N360 HydrophobicContact CB-CB 4.02Å; E333-N360 HydrophobicContact CG-CB 3.66Å; Q356-N360 PolarHBondContact NE2-OD1 3.38Å; Q356-N360 PolarHBondContact O-N 2.93Å; Q356-N360 PolarHBondContact O-ND2 2.97Å; A357-N360 WeakPolarHBondContact O-CB 3.31Å; A357-N360 PolarHBondContact O-N 3.08Å; A357-N360 VanDerWaalsContact O-N 3.14Å; N360-K362 PolarHBondContact O-N 2.8Å; N360-T363 WeakPolarHBondContact O-CB 3.41Å; N360-T363 PolarHBondContact O-N 2.94Å; N360-T363 VanDerWaalsContact O-N 3.15Å; N360-A364 WeakPolarHBondContact O-CB 3.4Å; N360-A364 PolarHBondContact O-N 3.47Å
361	V	94.8	Very high	94.7	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.006	29%	0.289	C	S	.	.	H	α-helix	trans	-59.4	-46.3	175.5	170.5	0	0	0	0	111	V259 I329 E333 F334 A357 A358 T363 A364 T365	V259-V361 HydrophobicContact CB-CG1 4.42Å; V259-V361 HydrophobicContact CG1-CB 4.18Å; V259-V361 HydrophobicContact CG1-CG1 3.62Å; V259-V361 HydrophobicContact CG2-CG1 3.84Å; I329-V361 HydrophobicContact CG2-CG1 4.11Å; E333-V361 HydrophobicContact CB-CG2 3.5Å; E333-V361 HydrophobicContact CG-CG2 3.99Å; F334-V361 HydrophobicContact CD2-CG2 4.24Å; F334-V361 HydrophobicContact CE2-CG2 3.69Å; F334-V361 HydrophobicContact CZ-CG2 4.35Å; A357-V361 WeakPolarHBondContact O-CG2 3.43Å; A357-V361 PolarHBondContact O-N 2.61Å; A358-V361 PolarHBondContact O-N 3.24Å; V361-T363 VanDerWaalsContact C-N 3.32Å; V361-T363 PolarHBondContact O-N 3.2Å; V361-A364 PolarHBondContact O-N 3.13Å; V361-T365 VanDerWaalsContact O-CB 3.28Å; V361-T365 WeakPolarHBondContact O-CB 3.43Å; V361-T365 PolarHBondContact O-N 2.85Å; V361-T365 PolarHBondContact O-OG1 3.36Å
362	K	96.7	Very high	94.7	Very high	22 Å²	22	57 Å²	57	10%	0.096	27%	0.271	C	S	.	.	H	α-helix	trans	-58.1	-45.5	174.8	-70.6	172.6	-169.6	168.4	0	111.2	N256 V259 N260 A358 E359 N360 T365 R366	N256-K362 HydrophobicContact CB-CD 4.35Å; V259-K362 HydrophobicContact CB-CG 3.85Å; V259-K362 HydrophobicContact CG1-CG 3.82Å; V259-K362 HydrophobicContact CG2-CG 4.08Å; N260-K362 WeakPolarHBondContact OD1-CE 3.4Å; N260-K362 PolarHBondContact OD1-NZ 2.82Å; N260-K362 VanDerWaalsContact OD1-NZ 3.07Å; A358-K362 WeakPolarHBondContact O-CG 3.31Å; A358-K362 PolarHBondContact O-N 3.19Å; E359-K362 PolarHBondContact O-N 3.38Å; E359-K362 WeakPolarHBondContact OE1-CD 3.24Å; E359-K362 IonicContact OE1-NZ 3.71Å; E359-K362 PolarHBondContact OE1-NZ 3.26Å; N360-K362 PolarHBondContact O-N 2.8Å; K362-T365 PolarHBondContact O-N 2.75Å; K362-R366 WeakPolarHBondContact O-CG 3.29Å; K362-R366 PolarHBondContact O-N 3.26Å
363	T	95.8	Very high	94.5	Very high	52 Å²	52	55.2 Å²	55.2	32%	0.319	25%	0.254	S	S	.	.	H	α-helix	trans	-63.2	-48.9	179.1	-63	0	0	0	0	112.2	E359 N360 V361 T365 R366 Q367	E359-T363 WeakPolarHBondContact O-CB 3.29Å; E359-T363 PolarHBondContact O-N 3.23Å; E359-T363 PolarHBondContact O-OG1 3.05Å; N360-T363 WeakPolarHBondContact O-CB 3.41Å; N360-T363 PolarHBondContact O-N 2.94Å; N360-T363 VanDerWaalsContact O-N 3.15Å; V361-T363 VanDerWaalsContact C-N 3.32Å; V361-T363 PolarHBondContact O-N 3.2Å; T363-T365 VanDerWaalsContact C-N 3.32Å; T363-T365 PolarHBondContact O-N 2.87Å; T363-R366 PolarHBondContact O-N 2.71Å; T363-R366 PolarHBondContact OG1-NH2 3.32Å; T363-Q367 WeakPolarHBondContact O-CG 3.43Å; T363-Q367 PolarHBondContact O-N 2.83Å
364	A	93.3	Very high	94.1	Very high	11 Å²	11	55.1 Å²	55.1	9%	0.091	26%	0.259	C	S	.	.	H	α-helix	trans	-61.1	-40.9	177.7	0	0	0	0	0	111.7	I329 N360 V361 Q367 Y368	I329-A364 HydrophobicContact CD1-CB 4.26Å; I329-A364 HydrophobicContact CG1-CB 4.24Å; I329-A364 HydrophobicContact CG2-CB 3.67Å; N360-A364 WeakPolarHBondContact O-CB 3.4Å; N360-A364 PolarHBondContact O-N 3.47Å; V361-A364 PolarHBondContact O-N 3.13Å; A364-Q367 PolarHBondContact O-N 2.67Å; A364-Y368 WeakPolarHBondContact O-CB 3.1Å; A364-Y368 PolarHBondContact O-N 2.83Å
365	T	94.9	Very high	93.9	Very high	17 Å²	17	56.4 Å²	56.4	10%	0.104	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-45.6	177.8	-58.5	0	0	0	0	111.6	T40 L255 V361 K362 T363 Q367 Y368 A369	T40-T365 HydrophobicContact CG2-CG2 3.86Å; L255-T365 HydrophobicContact CB-CG2 4.28Å; L255-T365 HydrophobicContact CD1-CG2 4.23Å; L255-T365 HydrophobicContact CD2-CG2 3.81Å; L255-T365 HydrophobicContact CG-CG2 4.32Å; V361-T365 VanDerWaalsContact O-CB 3.28Å; V361-T365 WeakPolarHBondContact O-CB 3.43Å; V361-T365 PolarHBondContact O-N 2.85Å; V361-T365 PolarHBondContact O-OG1 3.36Å; K362-T365 PolarHBondContact O-N 2.75Å; T363-T365 VanDerWaalsContact C-N 3.32Å; T363-T365 PolarHBondContact O-N 2.87Å; T365-Q367 PolarHBondContact O-N 3.27Å; T365-Y368 PolarHBondContact O-N 3.4Å; T365-A369 PolarHBondContact O-N 2.9Å
366	R	95.9	Very high	93.5	Very high	43 Å²	43	49.2 Å²	49.2	16%	0.162	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-40.9	174.7	-68	-176.8	-60.7	-108.7	4.3	112.1	N252 L255 N256 K362 T363 Y368 A369 R370	N252-R366 HydrophobicContact CB-CG 4.35Å; N252-R366 WeakPolarHBondContact OD1-CD 3.48Å; N252-R366 WeakPolarHBondContact OD1-CG 3.36Å; L255-R366 HydrophobicContact CD1-CG 4.32Å; N256-R366 PolarHBondContact ND2-NH1 2.78Å; N256-R366 PolarHBondContact OD1-NH1 3.34Å; K362-R366 WeakPolarHBondContact O-CG 3.29Å; K362-R366 PolarHBondContact O-N 3.26Å; T363-R366 PolarHBondContact O-N 2.71Å; T363-R366 PolarHBondContact OG1-NH2 3.32Å; R366-Y368 VanDerWaalsContact C-N 3.33Å; R366-A369 PolarHBondContact O-N 3.35Å; R366-R370 WeakPolarHBondContact O-CG 3.41Å; R366-R370 PolarHBondContact O-N 3.39Å; R366-R370 VanDerWaalsContact O-N 3.09Å
367	Q	93.5	Very high	93	Very high	101 Å²	101	49.9 Å²	49.9	47%	0.472	23%	0.227	S	C	.	.	H	α-helix	trans	-64.7	-37.7	175.6	-71	176.6	6.6	0	0	112.1	T363 A364 T365 R371	T363-Q367 WeakPolarHBondContact O-CG 3.43Å; T363-Q367 PolarHBondContact O-N 2.83Å; A364-Q367 PolarHBondContact O-N 2.67Å; T365-Q367 PolarHBondContact O-N 3.27Å; Q367-R371 WeakPolarHBondContact O-CG 3.04Å; Q367-R371 PolarHBondContact O-N 3.02Å; Q367-R371 VanDerWaalsContact O-N 3.09Å; Q367-R371 PolarHBondContact O-NE 2.79Å
368	Y	93.4	Very high	92.2	Very high	50 Å²	50	52.3 Å²	52.3	20%	0.196	24%	0.24	C	C	.	.	H	α-helix	trans	-64.6	-47.5	174.7	-180	-128.5	0	0	0	111.9	T40 G131 I329 A364 T365 R366 R370 R371 Q372	T40-Y368 HydrophobicContact CG2-CD1 4.19Å; G131-Y368 PolarHBondContact O-OH 2.72Å; I329-Y368 HydrophobicContact CD1-CD1 4.27Å; I329-Y368 HydrophobicContact CD1-CG 4.12Å; A364-Y368 WeakPolarHBondContact O-CB 3.1Å; A364-Y368 PolarHBondContact O-N 2.83Å; T365-Y368 PolarHBondContact O-N 3.4Å; R366-Y368 VanDerWaalsContact C-N 3.33Å; Y368-R370 VanDerWaalsContact C-N 3.32Å; Y368-R370 PolarHBondContact O-N 2.91Å; Y368-R371 WeakPolarHBondContact O-CB 3.13Å; Y368-R371 PolarHBondContact O-N 3.28Å; Y368-Q372 HydrophobicContact CD2-CG 4.24Å; Y368-Q372 HydrophobicContact CE1-CG 4.43Å; Y368-Q372 HydrophobicContact CE2-CG 3.93Å; Y368-Q372 VanDerWaalsContact CZ-NE2 3.32Å; Y368-Q372 WeakPolarHBondContact O-CG 3.45Å; Y368-Q372 PolarHBondContact O-N 2.93Å; Y368-Q372 PolarHBondContact OH-NE2 3.45Å
369	A	95.4	Very high	91.5	Very high	3 Å²	3	54.7 Å²	54.7	3%	0.025	25%	0.247	C	C	.	.	H	α-helix	trans	-54.9	-44.5	174.8	0	0	0	0	0	112.6	A39 T40 L251 L255 T365 R366 R371 Q372 V373	A39-A369 HydrophobicContact CB-CB 3.95Å; T40-A369 HydrophobicContact CG2-CB 4.43Å; L251-A369 HydrophobicContact CD2-CB 4.17Å; L255-A369 HydrophobicContact CD1-CB 3.72Å; T365-A369 PolarHBondContact O-N 2.9Å; R366-A369 PolarHBondContact O-N 3.35Å; A369-R371 PolarHBondContact O-N 3.35Å; A369-Q372 WeakPolarHBondContact O-CB 3.38Å; A369-Q372 PolarHBondContact O-N 2.84Å; A369-V373 WeakPolarHBondContact O-CG2 3.43Å; A369-V373 PolarHBondContact O-N 2.58Å
370	R	92.3	Very high	90.9	Very high	152 Å²	152	51 Å²	51	57%	0.574	23%	0.23	S	C	*	.	H	α-helix	trans	-62.8	-40.9	175.5	-67.9	174.5	-159.8	174.6	3.3	112.7	R366 Y368 Q372 V373 S374	R366-R370 WeakPolarHBondContact O-CG 3.41Å; R366-R370 PolarHBondContact O-N 3.39Å; R366-R370 VanDerWaalsContact O-N 3.09Å; Y368-R370 VanDerWaalsContact C-N 3.32Å; Y368-R370 PolarHBondContact O-N 2.91Å; R370-Q372 VanDerWaalsContact C-N 3.34Å; R370-V373 PolarHBondContact O-N 2.74Å; R370-S374 WeakPolarHBondContact O-CB 3.5Å; R370-S374 PolarHBondContact O-N 3.09Å
371	R	91.4	Very high	90.3	Very high	153 Å²	153	48.6 Å²	48.6	58%	0.577	22%	0.217	S	C	*	.	H	α-helix	trans	-63.4	-40.2	176.2	-76.9	-176.5	-74.4	164.7	-3.3	111.5	Q367 Y368 A369 S374 W375	Q367-R371 WeakPolarHBondContact O-CG 3.04Å; Q367-R371 PolarHBondContact O-N 3.02Å; Q367-R371 VanDerWaalsContact O-N 3.09Å; Q367-R371 PolarHBondContact O-NE 2.79Å; Y368-R371 WeakPolarHBondContact O-CB 3.13Å; Y368-R371 PolarHBondContact O-N 3.28Å; A369-R371 PolarHBondContact O-N 3.35Å; R371-S374 PolarHBondContact O-N 2.93Å; R371-W375 WeakPolarHBondContact O-CB 3.21Å; R371-W375 PolarHBondContact O-N 3.48Å
372	Q	94.4	Very high	89.1	Confident	5 Å²	5	52.9 Å²	52.9	2%	0.023	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-50.6	175.6	-74.6	178	-52.6	0	0	112.1	G131 Y368 A369 R370 S374 W375 I376	G131-Q372 PolarHBondContact O-NE2 3.45Å; Y368-Q372 HydrophobicContact CD2-CG 4.24Å; Y368-Q372 HydrophobicContact CE1-CG 4.43Å; Y368-Q372 HydrophobicContact CE2-CG 3.93Å; Y368-Q372 VanDerWaalsContact CZ-NE2 3.32Å; Y368-Q372 WeakPolarHBondContact O-CG 3.45Å; Y368-Q372 PolarHBondContact O-N 2.93Å; Y368-Q372 PolarHBondContact OH-NE2 3.45Å; A369-Q372 WeakPolarHBondContact O-CB 3.38Å; A369-Q372 PolarHBondContact O-N 2.84Å; R370-Q372 VanDerWaalsContact C-N 3.34Å; Q372-S374 VanDerWaalsContact C-N 3.32Å; Q372-S374 PolarHBondContact O-N 3.32Å; Q372-W375 WeakPolarHBondContact O-CB 3.49Å; Q372-W375 PolarHBondContact O-N 2.75Å; Q372-W375 VanDerWaalsContact O-N 3.11Å; Q372-I376 WeakPolarHBondContact O-CG1 3.5Å; Q372-I376 PolarHBondContact O-N 2.89Å
373	V	90.7	Very high	87.9	Confident	21 Å²	21	52.4 Å²	52.4	13%	0.127	23%	0.23	C	C	.	.	H	α-helix	trans	-61.1	-42.8	176.9	175	0	0	0	0	111.3	A39 W243 A369 R370 W375 I376 R377	A39-V373 HydrophobicContact CB-CG2 4.16Å; W243-V373 HydrophobicContact CZ2-CG1 4.35Å; A369-V373 WeakPolarHBondContact O-CG2 3.43Å; A369-V373 PolarHBondContact O-N 2.58Å; R370-V373 PolarHBondContact O-N 2.74Å; V373-W375 VanDerWaalsContact C-N 3.3Å; V373-W375 PolarHBondContact O-N 2.95Å; V373-I376 PolarHBondContact O-N 2.91Å; V373-R377 HydrophobicContact CG1-CG 4.45Å; V373-R377 WeakPolarHBondContact O-CG 3.25Å; V373-R377 PolarHBondContact O-N 3.49Å
374	S	86	Confident	86.4	Confident	59 Å²	59	53.2 Å²	53.2	41%	0.413	24%	0.236	S	C	.	.	H	α-helix	trans	-59	-41.4	174	179.1	0	0	0	0	112.1	R370 R371 Q372 N378	R370-S374 WeakPolarHBondContact O-CB 3.5Å; R370-S374 PolarHBondContact O-N 3.09Å; R371-S374 PolarHBondContact O-N 2.93Å; Q372-S374 VanDerWaalsContact C-N 3.32Å; Q372-S374 PolarHBondContact O-N 3.32Å; S374-N378 VanDerWaalsContact O-CB 3.26Å; S374-N378 WeakPolarHBondContact O-CB 3.25Å; S374-N378 PolarHBondContact O-N 2.82Å; S374-N378 PolarHBondContact O-ND2 2.88Å; S374-N378 PolarHBondContact OG-ND2 2.84Å; S374-N378 VanDerWaalsContact OG-ND2 3.13Å
375	W	88.7	Confident	84.8	Confident	72 Å²	72	57 Å²	57	27%	0.273	26%	0.258	S	S	.	.	H	α-helix	trans	-60.8	-54.5	175.9	-170.1	-76.7	0	0	0	110.6	H133 Y134 E137 R371 Q372 V373 R377 N378 R379	H133-W375 HydrophobicContact CB-CG 3.88Å; Y134-W375 AromaticContact CD2-CH2 3.56Å; Y134-W375 HydrophobicContact CD2-CH2 3.56Å; Y134-W375 AromaticContact CD2-CZ2 3.74Å; Y134-W375 HydrophobicContact CD2-CZ2 3.74Å; Y134-W375 HydrophobicContact CE2-CH2 4.49Å; Y134-W375 HydrophobicContact CG-CH2 4.23Å; Y134-W375 HydrophobicContact CG-CZ2 4.31Å; E137-W375 WeakPolarHBondContact OE2-CZ2 3.48Å; R371-W375 WeakPolarHBondContact O-CB 3.21Å; R371-W375 PolarHBondContact O-N 3.48Å; Q372-W375 WeakPolarHBondContact O-CB 3.49Å; Q372-W375 PolarHBondContact O-N 2.75Å; Q372-W375 VanDerWaalsContact O-N 3.11Å; V373-W375 VanDerWaalsContact C-N 3.3Å; V373-W375 PolarHBondContact O-N 2.95Å; W375-R377 VanDerWaalsContact C-N 3.33Å; W375-R377 PolarHBondContact O-N 2.91Å; W375-N378 PolarHBondContact O-N 3.26Å; W375-R379 HydrophobicContact CD2-CB 4.48Å; W375-R379 HydrophobicContact CD2-CG 3.92Å; W375-R379 HydrophobicContact CG-CB 4.29Å; W375-R379 HydrophobicContact CG-CG 4.12Å; W375-R379 HydrophobicContact CZ2-CG 4.1Å; W375-R379 WeakPolarHBondContact O-CA 3.45Å; W375-R379 WeakPolarHBondContact O-CB 3.44Å; W375-R379 PolarHBondContact O-N 3.32Å
376	I	88.6	Confident	83.3	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	30%	0.295	C	S	.	.	I	π-helix	trans	-55.1	-49.4	-179.2	-64.1	166.3	0	0	0	110.9	C37 W243 Q372 V373 N378 F380 L381	C37-I376 HydrophobicContact CB-CD1 4.42Å; W243-I376 HydrophobicContact CD2-CG2 3.7Å; W243-I376 HydrophobicContact CE3-CG2 4.13Å; W243-I376 HydrophobicContact CG-CD1 4.32Å; W243-I376 HydrophobicContact CG-CG2 3.87Å; Q372-I376 WeakPolarHBondContact O-CG1 3.5Å; Q372-I376 PolarHBondContact O-N 2.89Å; V373-I376 PolarHBondContact O-N 2.91Å; I376-N378 PolarHBondContact O-N 2.94Å; I376-F380 HydrophobicContact CB-CD2 4.36Å; I376-F380 HydrophobicContact CG1-CD2 4.14Å; I376-F380 HydrophobicContact CG1-CE2 4.39Å; I376-F380 HydrophobicContact CG2-CD2 4.22Å; I376-F380 WeakPolarHBondContact O-CA 3.22Å; I376-F380 WeakPolarHBondContact O-CB 3.45Å; I376-F380 PolarHBondContact O-N 3.48Å; I376-L381 PolarHBondContact O-N 2.78Å
377	R	83.8	Confident	81.8	Confident	123 Å²	123	66 Å²	66	46%	0.464	32%	0.317	S	S	.	.	I	π-helix	trans	-61.4	-44	179.5	-70.1	178	-179	167.8	2	112.7	W243 V373 W375 L381 R382	W243-R377 HydrophobicContact CH2-CG 4.14Å; V373-R377 HydrophobicContact CG1-CG 4.45Å; V373-R377 WeakPolarHBondContact O-CG 3.25Å; V373-R377 PolarHBondContact O-N 3.49Å; W375-R377 VanDerWaalsContact C-N 3.33Å; W375-R377 PolarHBondContact O-N 2.91Å; R377-L381 HydrophobicContact CG-CD1 4.21Å; R377-R382 WeakPolarHBondContact O-CG 3.37Å; R377-R382 PolarHBondContact O-N 2.79Å
378	N	78.4	Confident	81.1	Confident	54 Å²	54	63 Å²	63	29%	0.289	31%	0.307	S	S	.	.	I	π-helix	trans	-86.8	-26	-174	-68.3	-50.1	0	0	0	114.2	S374 W375 I376 R382	S374-N378 VanDerWaalsContact O-CB 3.26Å; S374-N378 WeakPolarHBondContact O-CB 3.25Å; S374-N378 PolarHBondContact O-N 2.82Å; S374-N378 PolarHBondContact O-ND2 2.88Å; S374-N378 PolarHBondContact OG-ND2 2.84Å; S374-N378 VanDerWaalsContact OG-ND2 3.13Å; W375-N378 PolarHBondContact O-N 3.26Å; I376-N378 PolarHBondContact O-N 2.94Å; N378-R382 PolarHBondContact OD1-NH1 2.79Å
379	R	81.4	Confident	80.9	Confident	59 Å²	59	60.9 Å²	60.9	22%	0.223	30%	0.299	C	S	.	.	I	π-helix	trans	-110	-29.5	-172.5	-68.1	-80.2	-177.6	168.9	-10.3	113.6	N228 W375 R383	N228-R379 PolarHBondContact O-NH1 2.69Å; N228-R379 PolarHBondContact O-NH2 2.95Å; W375-R379 HydrophobicContact CD2-CB 4.48Å; W375-R379 HydrophobicContact CD2-CG 3.92Å; W375-R379 HydrophobicContact CG-CB 4.29Å; W375-R379 HydrophobicContact CG-CG 4.12Å; W375-R379 HydrophobicContact CZ2-CG 4.1Å; W375-R379 WeakPolarHBondContact O-CA 3.45Å; W375-R379 WeakPolarHBondContact O-CB 3.44Å; W375-R379 PolarHBondContact O-N 3.32Å; R379-R383 PolarHBondContact O-NE 3.29Å; R379-R383 PolarHBondContact O-NH2 2.91Å
380	F	85.3	Confident	80.8	Confident	7 Å²	7	62.8 Å²	62.8	3%	0.031	31%	0.311	C	S	.	.	I	π-helix	trans	-103.1	-48.3	178.5	-60.2	-24.6	0	0	0	111.8	H133 L136 E137 W141 I241 I376 V391	H133-F380 HydrophobicContact CB-CE2 3.91Å; H133-F380 HydrophobicContact CB-CZ 3.83Å; L136-F380 HydrophobicContact CB-CZ 4.37Å; L136-F380 HydrophobicContact CD2-CE2 3.91Å; L136-F380 HydrophobicContact CD2-CZ 3.98Å; L136-F380 HydrophobicContact CG-CZ 4.35Å; E137-F380 HydrophobicContact CB-CE1 4.24Å; E137-F380 HydrophobicContact CG-CE1 4.45Å; W141-F380 AromaticContact CH2-CD1 3.54Å; W141-F380 HydrophobicContact CH2-CD1 3.54Å; W141-F380 AromaticContact CH2-CE1 3.76Å; W141-F380 HydrophobicContact CH2-CE1 3.76Å; W141-F380 HydrophobicContact CH2-CG 4.37Å; W141-F380 HydrophobicContact CZ2-CD1 4.5Å; W141-F380 AromaticContact CZ3-CD1 3.91Å; W141-F380 HydrophobicContact CZ3-CD1 3.91Å; W141-F380 AromaticContact CZ3-CE1 3.6Å; W141-F380 HydrophobicContact CZ3-CE1 3.6Å; W141-F380 HydrophobicContact CZ3-CZ 4.41Å; I241-F380 HydrophobicContact CD1-CD2 4.43Å; I241-F380 HydrophobicContact CD1-CG 4.43Å; I376-F380 HydrophobicContact CB-CD2 4.36Å; I376-F380 HydrophobicContact CG1-CD2 4.14Å; I376-F380 HydrophobicContact CG1-CE2 4.39Å; I376-F380 HydrophobicContact CG2-CD2 4.22Å; I376-F380 WeakPolarHBondContact O-CA 3.22Å; I376-F380 WeakPolarHBondContact O-CB 3.45Å; I376-F380 PolarHBondContact O-N 3.48Å; F380-V391 HydrophobicContact CB-CG2 4.12Å
381	L	80.9	Confident	80.8	Confident	16 Å²	16	55.9 Å²	55.9	8%	0.084	29%	0.286	C	S	.	.	I	π-helix	trans	-74.4	-38.9	-178.1	-58.5	179.8	0	0	0	113.5	W243 I376 R377 R383 V391 E457 F459	W243-L381 HydrophobicContact CE3-CD1 4.08Å; W243-L381 HydrophobicContact CE3-CD2 4.48Å; W243-L381 HydrophobicContact CH2-CD1 4.18Å; W243-L381 HydrophobicContact CZ3-CD1 3.51Å; I376-L381 PolarHBondContact O-N 2.78Å; R377-L381 HydrophobicContact CG-CD1 4.21Å; L381-R383 PolarHBondContact O-N 2.73Å; L381-V391 HydrophobicContact CD2-CB 3.68Å; L381-V391 HydrophobicContact CD2-CG1 3.62Å; L381-V391 HydrophobicContact CD2-CG2 4.09Å; L381-E457 HydrophobicContact CD2-CB 3.82Å; L381-E457 HydrophobicContact CD2-CG 4.47Å; L381-F459 HydrophobicContact CB-CB 3.99Å
382	R	71.4	Confident	80.9	Confident	90 Å²	90	49.7 Å²	49.7	34%	0.34	26%	0.263	S	S	.	.	S	Bend	trans	-80.7	47.3	179.1	-71.6	-177.1	-174.3	-166.7	-1.4	112.6	R229 R377 N378 F459 L461	R229-R382 PolarHBondContact NH1-O 3.44Å; R377-R382 WeakPolarHBondContact O-CG 3.37Å; R377-R382 PolarHBondContact O-N 2.79Å; N378-R382 PolarHBondContact OD1-NH1 2.79Å; R382-F459 HydrophobicContact CG-CD1 3.8Å; R382-F459 HydrophobicContact CG-CE1 4.07Å; R382-L461 HydrophobicContact CB-CD2 3.87Å; R382-L461 HydrophobicContact CG-CD2 4.25Å
383	R	71.2	Confident	80.9	Confident	12 Å²	12	54.3 Å²	54.3	5%	0.045	28%	0.28	C	S	.	.	S	Bend	trans	-110.8	153.7	170	-68.5	-167.8	-169.3	-131.1	-13.3	110.1	E137 W141 S230 R379 L381 V385	E137-R383 IonicContact OE1-CZ 3.31Å; E137-R383 IonicContact OE1-NH1 2.67Å; E137-R383 IonicContact OE1-NH2 3.85Å; E137-R383 PolarHBondContact OE1-NH2 2.97Å; E137-R383 IonicContact OE2-NH2 3.71Å; W141-R383 VanDerWaalsContact CD2-NH1 3.33Å; S230-R383 VanDerWaalsContact CB-NH1 3.28Å; S230-R383 PolarHBondContact O-NH1 3.13Å; R379-R383 PolarHBondContact O-NE 3.29Å; R379-R383 PolarHBondContact O-NH2 2.91Å; L381-R383 PolarHBondContact O-N 2.73Å; R383-V385 PolarHBondContact O-N 2.82Å
384	P	62.6	Low	81.2	Confident	69 Å²	69	53.6 Å²	53.6	45%	0.448	28%	0.275	S	S	.	.			trans	-52.9	133.5	169.3	-21.4	32.3	0	0	0	109.6	S388	P384-S388 WeakPolarHBondContact O-CB 3.33Å; P384-S388 PolarHBondContact O-OG 3.08Å
385	V	60.5	Low	81.6	Confident	92 Å²	92	54.4 Å²	54.4	56%	0.558	28%	0.275	S	S	*	.	S	Bend	trans	-67	-41.1	-174.1	177.7	0	0	0	0	111	R383 G387 S388	R383-V385 PolarHBondContact O-N 2.82Å; V385-G387 PolarHBondContact O-N 2.92Å; V385-S388 PolarHBondContact O-N 2.76Å; V385-S388 VanDerWaalsContact O-N 3.1Å; V385-S388 PolarHBondContact O-OG 2.85Å
386	E	63.9	Low	81.9	Confident	188 Å²	188	51 Å²	51	88%	0.879	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	123.6	-175.1	-165.5	166.3	-161.2	0	0	111.4	S388	E386-S388 PolarHBondContact O-N 2.9Å
387	G	64.8	Low	82.3	Confident	59 Å²	59	51.9 Å²	51.9	61%	0.608	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	6.9	-176.1	0	0	0	0	0	114.9	P233 V385	P233-G387 WeakPolarHBondContact CD-O 3.39Å; P233-G387 WeakPolarHBondContact CG-O 3.49Å; V385-G387 PolarHBondContact O-N 2.92Å
388	S	77.9	Confident	82.8	Confident	38 Å²	38	51.1 Å²	51.1	27%	0.266	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-81.4	164.8	175.1	66.7	0	0	0	0	113.2	P384 V385 E386	P384-S388 WeakPolarHBondContact O-CB 3.33Å; P384-S388 PolarHBondContact O-OG 3.08Å; V385-S388 PolarHBondContact O-N 2.76Å; V385-S388 VanDerWaalsContact O-N 3.1Å; V385-S388 PolarHBondContact O-OG 2.85Å; E386-S388 PolarHBondContact O-N 2.9Å
389	I	89.9	Confident	83.6	Confident	7 Å²	7	49.5 Å²	49.5	4%	0.036	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-77.3	120.8	173	-56.5	178.2	0	0	0	107.9	L140 W141 P233 I241 V391	L140-I389 HydrophobicContact CB-CD1 3.61Å; L140-I389 HydrophobicContact CD1-CD1 4.13Å; L140-I389 HydrophobicContact CG-CD1 4.32Å; L140-I389 WeakPolarHBondContact O-CD1 3.23Å; W141-I389 HydrophobicContact CD2-CD1 4.24Å; W141-I389 HydrophobicContact CE3-CD1 4.41Å; W141-I389 HydrophobicContact CH2-CD1 4.11Å; W141-I389 HydrophobicContact CZ2-CB 4.34Å; W141-I389 HydrophobicContact CZ2-CD1 3.87Å; W141-I389 HydrophobicContact CZ2-CG1 4.23Å; W141-I389 HydrophobicContact CZ3-CD1 4.36Å; P233-I389 HydrophobicContact CB-CD1 4.02Å; P233-I389 HydrophobicContact CB-CG1 3.71Å; P233-I389 HydrophobicContact CG-CG1 3.95Å; I241-I389 HydrophobicContact CD1-CB 4.34Å; I241-I389 HydrophobicContact CD1-CG2 3.88Å; I241-I389 HydrophobicContact CG1-CG2 3.83Å; I389-V391 PolarHBondContact O-N 2.95Å
390	P	91.7	Very high	84.2	Confident	42 Å²	42	47.3 Å²	47.3	27%	0.273	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-64.6	134.2	-179.2	27.2	-34.7	0	0	0	110.7	L240 I241 Y392 A456	L240-P390 HydrophobicContact CB-CG 4.06Å; I241-P390 PolarHBondContact N-O 3.3Å; P390-Y392 HydrophobicContact CB-CD2 4.44Å; P390-Y392 HydrophobicContact CB-CE2 3.72Å; P390-Y392 HydrophobicContact CG-CE2 3.96Å; P390-A456 HydrophobicContact CB-CB 3.98Å
391	V	92.3	Very high	84.5	Confident	7 Å²	7	52.8 Å²	52.8	4%	0.042	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.8	176.2	-175.5	0	0	0	0	108.7	I241 W243 F380 L381 I389 A456 E457	I241-V391 HydrophobicContact CB-CB 4.5Å; I241-V391 HydrophobicContact CB-CG1 4.42Å; I241-V391 HydrophobicContact CB-CG2 4.15Å; I241-V391 HydrophobicContact CD1-CG2 4.1Å; I241-V391 HydrophobicContact CG2-CG1 4.14Å; I241-V391 HydrophobicContact CG2-CG2 4.46Å; I241-V391 CarbonylContact O-C 3.49Å; I241-V391 WeakPolarHBondContact O-CA 3.48Å; W243-V391 HydrophobicContact CB-CG1 3.93Å; F380-V391 HydrophobicContact CB-CG2 4.12Å; L381-V391 HydrophobicContact CD2-CB 3.68Å; L381-V391 HydrophobicContact CD2-CG1 3.62Å; L381-V391 HydrophobicContact CD2-CG2 4.09Å; I389-V391 PolarHBondContact O-N 2.95Å; V391-A456 CarbonylContact O-C 3.5Å; V391-A456 WeakPolarHBondContact O-CA 3.42Å; V391-E457 PolarHBondContact O-N 3.33Å
392	Y	94.9	Very high	85	Confident	24 Å²	24	54.9 Å²	54.9	9%	0.094	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	115.8	179.6	-63	-91.3	0	0	0	109.3	L240 I241 W243 P390 L419 P454 K455 A456	L240-Y392 HydrophobicContact CB-CD2 4.45Å; L240-Y392 HydrophobicContact CB-CE2 4.1Å; L240-Y392 HydrophobicContact CD1-CD2 4.41Å; I241-Y392 PolarHBondContact O-N 3.23Å; W243-Y392 PolarHBondContact N-O 3.1Å; P390-Y392 HydrophobicContact CB-CD2 4.44Å; P390-Y392 HydrophobicContact CB-CE2 3.72Å; P390-Y392 HydrophobicContact CG-CE2 3.96Å; Y392-L419 HydrophobicContact CD1-CD1 3.24Å; Y392-L419 HydrophobicContact CD1-CG 4.47Å; Y392-L419 HydrophobicContact CD2-CD1 3.65Å; Y392-L419 HydrophobicContact CD2-CD2 4.39Å; Y392-L419 HydrophobicContact CE1-CD1 3.5Å; Y392-L419 VanDerWaalsContact CE1-CD1 3.5Å; Y392-L419 HydrophobicContact CE1-CG 4.33Å; Y392-L419 HydrophobicContact CE2-CD1 3.87Å; Y392-L419 HydrophobicContact CE2-CD2 4.26Å; Y392-L419 HydrophobicContact CE2-CG 4.4Å; Y392-L419 HydrophobicContact CG-CD1 3.31Å; Y392-P454 HydrophobicContact CD1-CB 4.42Å; Y392-P454 WeakPolarHBondContact CE1-O 3.05Å; Y392-K455 VanDerWaalsContact CD1-C 3.45Å; Y392-A456 HydrophobicContact CD1-CB 4.2Å; Y392-A456 HydrophobicContact CE1-CB 3.87Å; Y392-A456 VanDerWaalsContact CE1-N 3.29Å
393	R	94.5	Very high	85.8	Confident	102 Å²	102	55.6 Å²	55.6	39%	0.385	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	128.2	176.8	-174.3	-178.8	179	-139.2	-11.3	109.7	W243 D245 E457	W243-R393 HydrophobicContact CD2-CG 4.42Å; W243-R393 HydrophobicContact CE3-CB 3.99Å; W243-R393 HydrophobicContact CE3-CG 3.92Å; W243-R393 HydrophobicContact CZ3-CB 4.36Å; W243-R393 HydrophobicContact CZ3-CG 4.03Å; W243-R393 WeakPolarHBondContact O-CA 3.28Å; D245-R393 HydrophobicContact CB-CG 3.85Å; D245-R393 IonicContact OD2-CZ 3.99Å; D245-R393 IonicContact OD2-NE 3.9Å; D245-R393 PolarHBondContact OD2-NE 3.39Å; D245-R393 IonicContact OD2-NH2 3.66Å; D245-R393 PolarHBondContact OD2-NH2 2.75Å; R393-E457 HydrophobicContact CB-CG 3.57Å; R393-E457 WeakPolarHBondContact CB-OE1 3.09Å; R393-E457 WeakPolarHBondContact CD-OE1 3.32Å
394	I	95.9	Very high	86.7	Confident	6 Å²	6	56.6 Å²	56.6	3%	0.031	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	112.2	174.9	-51.6	-62.8	0	0	0	106.3	W243 L244 D245 V396 I412 T416 P454	W243-I394 PolarHBondContact O-N 2.78Å; L244-I394 WeakPolarHBondContact CA-O 3.46Å; L244-I394 HydrophobicContact CD2-CB 3.69Å; L244-I394 HydrophobicContact CD2-CG1 4.28Å; L244-I394 HydrophobicContact CD2-CG2 3.95Å; D245-I394 PolarHBondContact N-O 2.96Å; I394-V396 PolarHBondContact O-N 3.48Å; I394-I412 HydrophobicContact CG2-CB 4.34Å; I394-I412 HydrophobicContact CG2-CG1 4.21Å; I394-I412 HydrophobicContact CG2-CG2 4.15Å; I394-T416 HydrophobicContact CD1-CG2 3.7Å; I394-T416 HydrophobicContact CG1-CG2 3.68Å; I394-T416 HydrophobicContact CG2-CG2 4.38Å; I394-P454 HydrophobicContact CD1-CB 4.33Å; I394-P454 HydrophobicContact CD1-CG 4.07Å
395	D	94.5	Very high	88.2	Confident	76 Å²	76	57.3 Å²	57.3	41%	0.406	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	119.8	-179.8	-161.8	-29.1	0	0	0	109.7	T397	D395-T397 WeakPolarHBondContact OD1-CB 3.34Å; D395-T397 PolarHBondContact OD1-N 2.87Å; D395-T397 PolarHBondContact OD1-OG1 2.96Å
396	V	96.4	Very high	89.7	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.323	C	S	.	.			trans	-105.5	9.2	-179.6	-48.9	0	0	0	0	112.4	T42 L244 D245 C246 I394 F399 L400 I412	T42-V396 HydrophobicContact CG2-CG2 4.5Å; L244-V396 HydrophobicContact CB-CG1 4.04Å; L244-V396 HydrophobicContact CD1-CG1 4.36Å; L244-V396 HydrophobicContact CD2-CG1 3.94Å; L244-V396 HydrophobicContact CG-CG1 4.33Å; D245-V396 WeakPolarHBondContact O-CG2 3.45Å; D245-V396 PolarHBondContact O-N 3.42Å; C246-V396 HydrophobicContact CB-CG2 3.89Å; I394-V396 PolarHBondContact O-N 3.48Å; V396-F399 PolarHBondContact O-N 3.28Å; V396-L400 HydrophobicContact CG2-CD1 3.76Å; V396-L400 HydrophobicContact CG2-CG 4.04Å; V396-L400 WeakPolarHBondContact O-CB 3.34Å; V396-L400 WeakPolarHBondContact O-CG 3.47Å; V396-L400 PolarHBondContact O-N 3.05Å; V396-I412 HydrophobicContact CB-CD1 3.79Å; V396-I412 HydrophobicContact CG1-CD1 3.64Å; V396-I412 HydrophobicContact CG1-CG1 4Å
397	T	95.4	Very high	91.2	Very high	19 Å²	19	51.5 Å²	51.5	12%	0.117	29%	0.293	C	S	.	.	H	α-helix	trans	-57.4	-53.4	-174.1	-57.6	0	0	0	0	111.9	C246 A247 V250 D395 F399 L400 D401	C246-T397 WeakPolarHBondContact CA-OG1 3.2Å; A247-T397 HydrophobicContact CB-CG2 3.62Å; A247-T397 PolarHBondContact N-OG1 3.21Å; V250-T397 HydrophobicContact CB-CG2 4.21Å; V250-T397 HydrophobicContact CG1-CG2 4.45Å; V250-T397 HydrophobicContact CG2-CG2 3.81Å; D395-T397 WeakPolarHBondContact OD1-CB 3.34Å; D395-T397 PolarHBondContact OD1-N 2.87Å; D395-T397 PolarHBondContact OD1-OG1 2.96Å; T397-F399 VanDerWaalsContact C-N 3.29Å; T397-F399 PolarHBondContact O-N 3.24Å; T397-L400 PolarHBondContact O-N 2.74Å; T397-L400 VanDerWaalsContact O-N 3.09Å; T397-D401 PolarHBondContact O-N 3.07Å
398	D	94.5	Very high	92.7	Very high	106 Å²	106	48.9 Å²	48.9	57%	0.567	27%	0.265	S	S	*	.	H	α-helix	trans	-63.3	-36.1	-177.9	-63.3	-11.9	0	0	0	112.4	S402 I407	D398-S402 WeakPolarHBondContact O-CB 3.27Å; D398-S402 PolarHBondContact O-N 3.34Å; D398-S402 VanDerWaalsContact O-N 3.07Å; D398-S402 PolarHBondContact O-OG 2.64Å; D398-I407 HydrophobicContact CB-CG2 3.95Å
399	F	95.7	Very high	93.4	Very high	21 Å²	21	49.9 Å²	49.9	9%	0.092	27%	0.265	C	S	.	.	H	α-helix	trans	-66.2	-43.2	174.2	168	-107.6	0	0	0	111.3	V396 T397 D401 E403 I407 W408 I412	V396-F399 PolarHBondContact O-N 3.28Å; T397-F399 VanDerWaalsContact C-N 3.29Å; T397-F399 PolarHBondContact O-N 3.24Å; F399-D401 VanDerWaalsContact C-N 3.3Å; F399-D401 PolarHBondContact O-N 2.76Å; F399-E403 WeakPolarHBondContact O-CA 3.34Å; F399-E403 PolarHBondContact O-N 3.31Å; F399-I407 HydrophobicContact CB-CG2 4.08Å; F399-W408 AromaticContact CD1-CE3 3.59Å; F399-W408 HydrophobicContact CD1-CE3 3.59Å; F399-W408 AromaticContact CD1-CZ3 3.99Å; F399-W408 HydrophobicContact CD1-CZ3 3.99Å; F399-W408 HydrophobicContact CD2-CB 3.67Å; F399-W408 HydrophobicContact CD2-CE3 4.06Å; F399-W408 AromaticContact CE1-CE3 3.47Å; F399-W408 HydrophobicContact CE1-CE3 3.47Å; F399-W408 VanDerWaalsContact CE1-CE3 3.47Å; F399-W408 AromaticContact CE1-CZ3 3.77Å; F399-W408 HydrophobicContact CE1-CZ3 3.77Å; F399-W408 HydrophobicContact CE2-CB 3.79Å; F399-W408 HydrophobicContact CE2-CD2 4.44Å; F399-W408 AromaticContact CE2-CE3 3.97Å; F399-W408 HydrophobicContact CE2-CE3 3.97Å; F399-W408 HydrophobicContact CE2-CG 4.41Å; F399-W408 HydrophobicContact CG-CB 4.38Å; F399-W408 AromaticContact CG-CE3 3.89Å; F399-W408 HydrophobicContact CG-CE3 3.89Å; F399-W408 HydrophobicContact CZ-CD2 4.42Å; F399-W408 AromaticContact CZ-CE3 3.68Å; F399-W408 HydrophobicContact CZ-CE3 3.68Å; F399-W408 HydrophobicContact CZ-CZ3 4.3Å; F399-I412 HydrophobicContact CB-CD1 3.65Å; F399-I412 HydrophobicContact CD1-CD1 3.93Å; F399-I412 HydrophobicContact CG-CD1 3.87Å
400	L	93.5	Very high	93.7	Very high	12 Å²	12	56 Å²	56	6%	0.063	29%	0.291	C	S	.	.	H	α-helix	trans	-73.9	-21.9	-179.9	-75.2	-172.3	0	0	0	113.4	C246 V250 L251 Q254 V396 T397	C246-L400 HydrophobicContact CB-CD1 4.29Å; V250-L400 HydrophobicContact CG1-CB 3.82Å; L251-L400 HydrophobicContact CD1-CD1 4.37Å; Q254-L400 HydrophobicContact CG-CB 4.14Å; Q254-L400 HydrophobicContact CG-CD2 4.42Å; Q254-L400 PolarHBondContact NE2-O 3.22Å; V396-L400 HydrophobicContact CG2-CD1 3.76Å; V396-L400 HydrophobicContact CG2-CG 4.04Å; V396-L400 WeakPolarHBondContact O-CB 3.34Å; V396-L400 WeakPolarHBondContact O-CG 3.47Å; V396-L400 PolarHBondContact O-N 3.05Å; T397-L400 PolarHBondContact O-N 2.74Å; T397-L400 VanDerWaalsContact O-N 3.09Å
401	D	92.5	Very high	93.8	Very high	122 Å²	122	56.5 Å²	56.5	65%	0.652	29%	0.294	S	S	*	.	H	α-helix	trans	-80.2	-42.9	174.9	-163.9	49.8	0	0	0	111.8	V250 T397 F399	V250-D401 HydrophobicContact CG1-CB 4.14Å; T397-D401 PolarHBondContact O-N 3.07Å; F399-D401 VanDerWaalsContact C-N 3.3Å; F399-D401 PolarHBondContact O-N 2.76Å
402	S	91.5	Very high	94	Very high	60 Å²	60	56.1 Å²	56.1	42%	0.42	29%	0.292	S	S	.	.	H	α-helix	trans	-94.2	-25.1	-176.3	66.9	0	0	0	0	115.5	D398 S404 I407	D398-S402 WeakPolarHBondContact O-CB 3.27Å; D398-S402 PolarHBondContact O-N 3.34Å; D398-S402 VanDerWaalsContact O-N 3.07Å; D398-S402 PolarHBondContact O-OG 2.64Å; S402-S404 PolarHBondContact O-N 3.11Å; S402-S404 VanDerWaalsContact O-N 3.11Å; S402-S404 PolarHBondContact OG-N 3.47Å; S402-I407 WeakPolarHBondContact OG-CD1 3.17Å
403	E	87.1	Confident	94.1	Very high	105 Å²	105	55 Å²	55	49%	0.491	29%	0.287	S	S	.	.			trans	54.4	19.6	-168.1	-62.4	176	-153.8	0	0	114.3	Q254 K257 F399	Q254-E403 PolarHBondContact NE2-OE1 3.19Å; K257-E403 IonicContact NZ-OE1 3.83Å; K257-E403 PolarHBondContact NZ-OE1 2.94Å; F399-E403 WeakPolarHBondContact O-CA 3.34Å; F399-E403 PolarHBondContact O-N 3.31Å
404	S	91.8	Very high	94.2	Very high	34 Å²	34	50.1 Å²	50.1	24%	0.238	27%	0.269	C	S	.	.			trans	-72.8	127.1	-177.4	174.5	0	0	0	0	112.6	S402 D406 I407 W408	S402-S404 PolarHBondContact O-N 3.11Å; S402-S404 VanDerWaalsContact O-N 3.11Å; S402-S404 PolarHBondContact OG-N 3.47Å; S404-D406 VanDerWaalsContact C-N 3.26Å; S404-D406 PolarHBondContact O-N 3.06Å; S404-D406 PolarHBondContact OG-N 3.44Å; S404-I407 PolarHBondContact O-N 3.02Å; S404-W408 PolarHBondContact O-N 2.78Å; S404-W408 VanDerWaalsContact O-N 3.17Å
405	P	92.3	Very high	94.2	Very high	84 Å²	84	50.7 Å²	50.7	55%	0.545	27%	0.273	S	S	.	.	H	α-helix	trans	-57.2	-37.5	173.4	-24.9	34.4	0	0	0	113	I407 W408 H409	P405-I407 VanDerWaalsContact C-N 3.32Å; P405-I407 PolarHBondContact O-N 3.14Å; P405-W408 WeakPolarHBondContact O-CB 3.46Å; P405-W408 PolarHBondContact O-N 3.01Å; P405-H409 PolarHBondContact O-CD2 3.3Å; P405-H409 PolarHBondContact O-N 2.68Å
406	D	93.9	Very high	94.4	Very high	108 Å²	108	47 Å²	47	58%	0.578	25%	0.254	S	S	*	.	H	α-helix	trans	-64.9	-38.2	-179.4	-67.7	-24.6	0	0	0	111.8	S404 H409 K410	S404-D406 VanDerWaalsContact C-N 3.26Å; S404-D406 PolarHBondContact O-N 3.06Å; S404-D406 PolarHBondContact OG-N 3.44Å; D406-H409 PolarHBondContact O-N 3.23Å; D406-K410 WeakPolarHBondContact O-CB 3.39Å; D406-K410 WeakPolarHBondContact O-CG 3.26Å; D406-K410 PolarHBondContact O-N 2.8Å
407	I	94.5	Very high	94.4	Very high	50 Å²	50	47 Å²	47	26%	0.256	25%	0.254	S	S	.	.	H	α-helix	trans	-67.6	-42.5	176.4	-61.3	-169.2	0	0	0	109.8	D398 F399 S402 S404 P405 H409 K410 T411	D398-I407 HydrophobicContact CB-CG2 3.95Å; F399-I407 HydrophobicContact CB-CG2 4.08Å; S402-I407 WeakPolarHBondContact OG-CD1 3.17Å; S404-I407 PolarHBondContact O-N 3.02Å; P405-I407 VanDerWaalsContact C-N 3.32Å; P405-I407 PolarHBondContact O-N 3.14Å; I407-H409 VanDerWaalsContact C-N 3.28Å; I407-H409 PolarHBondContact O-N 3Å; I407-K410 PolarHBondContact O-N 2.95Å; I407-T411 HydrophobicContact CG2-CG2 3.99Å; I407-T411 WeakPolarHBondContact O-CB 3.4Å; I407-T411 PolarHBondContact O-N 3.03Å; I407-T411 PolarHBondContact O-OG1 3.13Å
408	W	95.4	Very high	94.4	Very high	3 Å²	3	47.6 Å²	47.6	1%	0.011	25%	0.253	C	S	.	.	I	π-helix	trans	-54.9	-46.3	171.9	176.9	-93.3	0	0	0	111.6	K46 L47 N50 F399 S404 P405 I412 I413	K46-W408 HydrophobicContact CB-CH2 3.83Å; K46-W408 HydrophobicContact CB-CZ2 3.98Å; K46-W408 HydrophobicContact CD-CD2 4.09Å; K46-W408 HydrophobicContact CD-CE3 4.15Å; K46-W408 HydrophobicContact CD-CH2 3.74Å; K46-W408 HydrophobicContact CD-CZ2 3.64Å; K46-W408 HydrophobicContact CD-CZ3 3.98Å; K46-W408 HydrophobicContact CG-CH2 3.8Å; K46-W408 HydrophobicContact CG-CZ2 3.51Å; L47-W408 HydrophobicContact CB-CH2 3.98Å; L47-W408 HydrophobicContact CB-CZ2 4.15Å; N50-W408 PolarHBondContact OD1-NE1 2.95Å; F399-W408 AromaticContact CD1-CE3 3.59Å; F399-W408 HydrophobicContact CD1-CE3 3.59Å; F399-W408 AromaticContact CD1-CZ3 3.99Å; F399-W408 HydrophobicContact CD1-CZ3 3.99Å; F399-W408 HydrophobicContact CD2-CB 3.67Å; F399-W408 HydrophobicContact CD2-CE3 4.06Å; F399-W408 AromaticContact CE1-CE3 3.47Å; F399-W408 HydrophobicContact CE1-CE3 3.47Å; F399-W408 VanDerWaalsContact CE1-CE3 3.47Å; F399-W408 AromaticContact CE1-CZ3 3.77Å; F399-W408 HydrophobicContact CE1-CZ3 3.77Å; F399-W408 HydrophobicContact CE2-CB 3.79Å; F399-W408 HydrophobicContact CE2-CD2 4.44Å; F399-W408 AromaticContact CE2-CE3 3.97Å; F399-W408 HydrophobicContact CE2-CE3 3.97Å; F399-W408 HydrophobicContact CE2-CG 4.41Å; F399-W408 HydrophobicContact CG-CB 4.38Å; F399-W408 AromaticContact CG-CE3 3.89Å; F399-W408 HydrophobicContact CG-CE3 3.89Å; F399-W408 HydrophobicContact CZ-CD2 4.42Å; F399-W408 AromaticContact CZ-CE3 3.68Å; F399-W408 HydrophobicContact CZ-CE3 3.68Å; F399-W408 HydrophobicContact CZ-CZ3 4.3Å; S404-W408 PolarHBondContact O-N 2.78Å; S404-W408 VanDerWaalsContact O-N 3.17Å; P405-W408 WeakPolarHBondContact O-CB 3.46Å; P405-W408 PolarHBondContact O-N 3.01Å; W408-I412 HydrophobicContact CD2-CB 4.43Å; W408-I412 HydrophobicContact CD2-CD1 4.24Å; W408-I412 HydrophobicContact CD2-CG2 4.49Å; W408-I412 HydrophobicContact CE3-CB 4.31Å; W408-I412 HydrophobicContact CE3-CD1 3.41Å; W408-I412 VanDerWaalsContact CE3-CD1 3.41Å; W408-I412 HydrophobicContact CE3-CG1 4.44Å; W408-I412 HydrophobicContact CE3-CG2 4.25Å; W408-I412 HydrophobicContact CH2-CG2 4.04Å; W408-I412 HydrophobicContact CZ2-CG2 4.3Å; W408-I412 HydrophobicContact CZ3-CD1 3.7Å; W408-I412 HydrophobicContact CZ3-CG2 4.03Å; W408-I412 WeakPolarHBondContact O-CB 3.34Å; W408-I412 PolarHBondContact O-N 3.45Å; W408-I413 PolarHBondContact O-N 3.27Å; W408-I413 VanDerWaalsContact O-N 3.09Å
409	H	94.6	Very high	94.4	Very high	59 Å²	59	42.6 Å²	42.6	27%	0.273	23%	0.227	S	C	.	.	I	π-helix	trans	-61.7	-48.6	179.7	-77.7	-66.2	0	0	0	112.6	P405 D406 I407 I413 A414 Y440	P405-H409 PolarHBondContact O-CD2 3.3Å; P405-H409 PolarHBondContact O-N 2.68Å; D406-H409 PolarHBondContact O-N 3.23Å; I407-H409 VanDerWaalsContact C-N 3.28Å; I407-H409 PolarHBondContact O-N 3Å; H409-I413 VanDerWaalsContact CA-CG2 3.41Å; H409-I413 HydrophobicContact CB-CG2 4.3Å; H409-I413 VanDerWaalsContact O-CG2 3.27Å; H409-I413 WeakPolarHBondContact O-CG2 3.21Å; H409-A414 WeakPolarHBondContact O-CB 3.44Å; H409-A414 PolarHBondContact O-N 3.16Å; H409-Y440 PolarHBondContact CE1-OH 2.86Å; H409-Y440 VanDerWaalsContact CE1-OH 3.29Å
410	K	94.7	Very high	94.4	Very high	135 Å²	135	41.6 Å²	41.6	59%	0.587	22%	0.223	S	C	*	.	I	π-helix	trans	-77.2	-40.6	-174.5	-69.2	177.1	-179.7	176.8	0	114.5	D406 I407 P415 I447	D406-K410 WeakPolarHBondContact O-CB 3.39Å; D406-K410 WeakPolarHBondContact O-CG 3.26Å; D406-K410 PolarHBondContact O-N 2.8Å; I407-K410 PolarHBondContact O-N 2.95Å; K410-P415 WeakPolarHBondContact O-CD 3.25Å; K410-I447 HydrophobicContact CB-CG2 4.27Å; K410-I447 HydrophobicContact CG-CG2 3.93Å
411	T	94.1	Very high	94.3	Very high	53 Å²	53	43.3 Å²	43.3	33%	0.325	23%	0.228	S	C	.	.	I	π-helix	trans	-99.5	-21.9	-168.1	64.2	0	0	0	0	113.8	I407	I407-T411 HydrophobicContact CG2-CG2 3.99Å; I407-T411 WeakPolarHBondContact O-CB 3.4Å; I407-T411 PolarHBondContact O-N 3.03Å; I407-T411 PolarHBondContact O-OG1 3.13Å
412	I	96.6	Very high	94.3	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.206	C	C	.	.	I	π-helix	trans	-117.5	-65.6	-172.1	-59.7	168.7	0	0	0	111	L47 I394 V396 F399 W408 T416	L47-I412 HydrophobicContact CD1-CG2 4.2Å; L47-I412 HydrophobicContact CD2-CG2 4.44Å; I394-I412 HydrophobicContact CG2-CB 4.34Å; I394-I412 HydrophobicContact CG2-CG1 4.21Å; I394-I412 HydrophobicContact CG2-CG2 4.15Å; V396-I412 HydrophobicContact CB-CD1 3.79Å; V396-I412 HydrophobicContact CG1-CD1 3.64Å; V396-I412 HydrophobicContact CG1-CG1 4Å; F399-I412 HydrophobicContact CB-CD1 3.65Å; F399-I412 HydrophobicContact CD1-CD1 3.93Å; F399-I412 HydrophobicContact CG-CD1 3.87Å; W408-I412 HydrophobicContact CD2-CB 4.43Å; W408-I412 HydrophobicContact CD2-CD1 4.24Å; W408-I412 HydrophobicContact CD2-CG2 4.49Å; W408-I412 HydrophobicContact CE3-CB 4.31Å; W408-I412 HydrophobicContact CE3-CD1 3.41Å; W408-I412 VanDerWaalsContact CE3-CD1 3.41Å; W408-I412 HydrophobicContact CE3-CG1 4.44Å; W408-I412 HydrophobicContact CE3-CG2 4.25Å; W408-I412 HydrophobicContact CH2-CG2 4.04Å; W408-I412 HydrophobicContact CZ2-CG2 4.3Å; W408-I412 HydrophobicContact CZ3-CD1 3.7Å; W408-I412 HydrophobicContact CZ3-CG2 4.03Å; W408-I412 WeakPolarHBondContact O-CB 3.34Å; W408-I412 PolarHBondContact O-N 3.45Å; I412-T416 WeakPolarHBondContact O-CB 3.4Å; I412-T416 WeakPolarHBondContact O-CG2 3.49Å; I412-T416 PolarHBondContact O-N 3.34Å; I412-T416 PolarHBondContact O-OG1 2.89Å
413	I	96.6	Very high	94.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-72	-45.5	-172.7	-169.1	-174.9	0	0	0	112.3	N50 W408 H409 T416 V417 Y440 L444	N50-I413 HydrophobicContact CB-CD1 3.73Å; N50-I413 HydrophobicContact CB-CG1 4.28Å; W408-I413 PolarHBondContact O-N 3.27Å; W408-I413 VanDerWaalsContact O-N 3.09Å; H409-I413 VanDerWaalsContact CA-CG2 3.41Å; H409-I413 HydrophobicContact CB-CG2 4.3Å; H409-I413 VanDerWaalsContact O-CG2 3.27Å; H409-I413 WeakPolarHBondContact O-CG2 3.21Å; I413-T416 WeakPolarHBondContact CA-OG1 3.46Å; I413-T416 PolarHBondContact O-N 2.8Å; I413-T416 PolarHBondContact O-OG1 2.86Å; I413-V417 HydrophobicContact CG1-CG2 3.94Å; I413-V417 VanDerWaalsContact O-CB 3.25Å; I413-V417 WeakPolarHBondContact O-CB 3.48Å; I413-V417 VanDerWaalsContact O-CG2 3.26Å; I413-V417 WeakPolarHBondContact O-CG2 3.18Å; I413-V417 PolarHBondContact O-N 3.36Å; I413-Y440 HydrophobicContact CD1-CE1 4.42Å; I413-Y440 WeakPolarHBondContact CD1-OH 3.4Å; I413-L444 HydrophobicContact CD1-CD1 3.89Å; I413-L444 HydrophobicContact CG1-CD1 4.1Å; I413-L444 HydrophobicContact CG2-CD2 3.88Å
414	A	96.8	Very high	94.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.2	-46.8	-179.4	0	0	0	0	0	112.8	H409 T416 V417 R418 L444 I447 C448	H409-A414 WeakPolarHBondContact O-CB 3.44Å; H409-A414 PolarHBondContact O-N 3.16Å; A414-T416 PolarHBondContact O-N 3.31Å; A414-V417 PolarHBondContact O-N 2.84Å; A414-R418 WeakPolarHBondContact O-CB 3.48Å; A414-R418 PolarHBondContact O-N 2.92Å; A414-L444 HydrophobicContact CB-CB 4.44Å; A414-L444 HydrophobicContact CB-CD2 4.24Å; A414-L444 WeakPolarHBondContact CB-O 3.34Å; A414-I447 HydrophobicContact CB-CB 3.89Å; A414-I447 HydrophobicContact CB-CG2 3.61Å; A414-C448 HydrophobicContact CB-CB 3.93Å
415	P	97	Very high	93.9	Very high	17 Å²	17	34.3 Å²	34.3	11%	0.11	17%	0.174	C	C	.	.	H	α-helix	trans	-64.9	-38.5	176.5	-24.3	36.2	0	0	0	113.9	K410 L419 P454	K410-P415 WeakPolarHBondContact O-CD 3.25Å; P415-L419 WeakPolarHBondContact O-CB 3.33Å; P415-L419 PolarHBondContact O-N 2.81Å; P415-P454 HydrophobicContact CB-CG 3.54Å
416	T	97.5	Very high	93.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-70.9	-36.7	177.9	52.5	0	0	0	0	112.5	L47 L242 I394 I412 I413 A414 L419 I420	L47-T416 HydrophobicContact CD1-CG2 4.49Å; L47-T416 HydrophobicContact CD2-CG2 4.15Å; L242-T416 HydrophobicContact CD1-CG2 3.93Å; L242-T416 HydrophobicContact CD2-CG2 4.33Å; I394-T416 HydrophobicContact CD1-CG2 3.7Å; I394-T416 HydrophobicContact CG1-CG2 3.68Å; I394-T416 HydrophobicContact CG2-CG2 4.38Å; I412-T416 WeakPolarHBondContact O-CB 3.4Å; I412-T416 WeakPolarHBondContact O-CG2 3.49Å; I412-T416 PolarHBondContact O-N 3.34Å; I412-T416 PolarHBondContact O-OG1 2.89Å; I413-T416 WeakPolarHBondContact CA-OG1 3.46Å; I413-T416 PolarHBondContact O-N 2.8Å; I413-T416 PolarHBondContact O-OG1 2.86Å; A414-T416 PolarHBondContact O-N 3.31Å; T416-L419 PolarHBondContact O-N 2.77Å; T416-I420 WeakPolarHBondContact O-CG1 3.41Å; T416-I420 PolarHBondContact O-N 3.19Å
417	V	96.7	Very high	92.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.4	-46.4	172.8	164.8	0	0	0	0	110.8	L51 V54 F55 I413 A414 L419 I420 Y421 L441 L444 L445	L51-V417 HydrophobicContact CD2-CG2 3.64Å; V54-V417 HydrophobicContact CG1-CG1 4.18Å; V54-V417 HydrophobicContact CG1-CG2 4.21Å; V54-V417 HydrophobicContact CG2-CG2 4.35Å; F55-V417 HydrophobicContact CE2-CB 4.39Å; F55-V417 HydrophobicContact CE2-CG1 4.32Å; F55-V417 HydrophobicContact CE2-CG2 4.06Å; F55-V417 HydrophobicContact CZ-CB 4.37Å; F55-V417 HydrophobicContact CZ-CG1 3.91Å; F55-V417 HydrophobicContact CZ-CG2 4.47Å; F55-V417 WeakPolarHBondContact CZ-O 3.47Å; I413-V417 HydrophobicContact CG1-CG2 3.94Å; I413-V417 VanDerWaalsContact O-CB 3.25Å; I413-V417 WeakPolarHBondContact O-CB 3.48Å; I413-V417 VanDerWaalsContact O-CG2 3.26Å; I413-V417 WeakPolarHBondContact O-CG2 3.18Å; I413-V417 PolarHBondContact O-N 3.36Å; A414-V417 PolarHBondContact O-N 2.84Å; V417-L419 VanDerWaalsContact C-N 3.28Å; V417-L419 PolarHBondContact O-N 3.29Å; V417-I420 PolarHBondContact O-N 2.88Å; V417-Y421 WeakPolarHBondContact O-CB 3.41Å; V417-Y421 PolarHBondContact O-N 2.76Å; V417-L441 HydrophobicContact CG1-CD1 3.24Å; V417-L444 HydrophobicContact CB-CD1 4.35Å; V417-L444 HydrophobicContact CG1-CB 4.16Å; V417-L444 HydrophobicContact CG1-CD1 4.25Å; V417-L444 HydrophobicContact CG2-CD1 3.91Å; V417-L445 HydrophobicContact CG1-CD2 4.29Å
418	R	95.7	Very high	91.4	Very high	30 Å²	30	32.3 Å²	32.3	11%	0.113	15%	0.154	C	C	.	.	H	α-helix	trans	-54.9	-46.6	174.8	173.8	59.6	68.6	179.7	8.1	111.5	A414 Y421 N422 L445 C448 C453	A414-R418 WeakPolarHBondContact O-CB 3.48Å; A414-R418 PolarHBondContact O-N 2.92Å; R418-Y421 PolarHBondContact O-N 2.67Å; R418-N422 WeakPolarHBondContact O-CB 3.28Å; R418-N422 PolarHBondContact O-N 3.42Å; R418-N422 PolarHBondContact O-OD1 3.43Å; R418-L445 HydrophobicContact CB-CD2 4.31Å; R418-L445 VanDerWaalsContact NH2-C 3.31Å; R418-L445 PolarHBondContact NH2-O 3.3Å; R418-C448 HydrophobicContact CB-CB 4.28Å; R418-C448 VanDerWaalsContact CZ-O 3.32Å; R418-C448 PolarHBondContact NE-O 3.3Å; R418-C448 PolarHBondContact NH2-O 3.45Å; R418-C453 HydrophobicContact CG-CB 3.93Å
419	L	95	Very high	89.9	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-61	-51.6	179.3	179.9	156.5	0	0	0	112.3	L240 L242 Y392 P415 T416 V417 Y421 N422 E423 P454	L240-L419 HydrophobicContact CD1-CD2 3.83Å; L240-L419 HydrophobicContact CD2-CD2 3.56Å; L240-L419 HydrophobicContact CG-CD2 4.35Å; L242-L419 HydrophobicContact CD2-CD1 4.21Å; L242-L419 HydrophobicContact CD2-CD2 4.15Å; Y392-L419 HydrophobicContact CD1-CD1 3.24Å; Y392-L419 HydrophobicContact CD1-CG 4.47Å; Y392-L419 HydrophobicContact CD2-CD1 3.65Å; Y392-L419 HydrophobicContact CD2-CD2 4.39Å; Y392-L419 HydrophobicContact CE1-CD1 3.5Å; Y392-L419 VanDerWaalsContact CE1-CD1 3.5Å; Y392-L419 HydrophobicContact CE1-CG 4.33Å; Y392-L419 HydrophobicContact CE2-CD1 3.87Å; Y392-L419 HydrophobicContact CE2-CD2 4.26Å; Y392-L419 HydrophobicContact CE2-CG 4.4Å; Y392-L419 HydrophobicContact CG-CD1 3.31Å; P415-L419 WeakPolarHBondContact O-CB 3.33Å; P415-L419 PolarHBondContact O-N 2.81Å; T416-L419 PolarHBondContact O-N 2.77Å; V417-L419 VanDerWaalsContact C-N 3.28Å; V417-L419 PolarHBondContact O-N 3.29Å; L419-Y421 VanDerWaalsContact C-N 3.32Å; L419-Y421 PolarHBondContact O-N 3.34Å; L419-N422 PolarHBondContact O-N 2.93Å; L419-E423 HydrophobicContact CD2-CG 4.47Å; L419-E423 PolarHBondContact O-N 3.46Å; L419-P454 HydrophobicContact CD1-CB 4.34Å
420	I	94	Very high	88.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.3	-42.3	-179.9	-68.7	166.9	0	0	0	110.1	I34 L51 F55 L125 L242 T416 V417 N422 E423 L424	I34-I420 HydrophobicContact CD1-CG1 4.15Å; I34-I420 HydrophobicContact CG1-CD1 4.34Å; I34-I420 HydrophobicContact CG1-CG1 4.46Å; I34-I420 HydrophobicContact CG2-CD1 3.98Å; L51-I420 HydrophobicContact CD1-CD1 3.58Å; L51-I420 HydrophobicContact CD2-CD1 3.77Å; L51-I420 HydrophobicContact CG-CD1 4.16Å; F55-I420 HydrophobicContact CD1-CG2 4.25Å; F55-I420 HydrophobicContact CD2-CB 4.4Å; F55-I420 HydrophobicContact CD2-CG2 3.78Å; F55-I420 HydrophobicContact CE1-CG2 4.03Å; F55-I420 HydrophobicContact CE2-CB 3.7Å; F55-I420 HydrophobicContact CE2-CD1 4.2Å; F55-I420 HydrophobicContact CE2-CG2 3.52Å; F55-I420 HydrophobicContact CG-CG2 4.14Å; F55-I420 HydrophobicContact CZ-CB 3.81Å; F55-I420 HydrophobicContact CZ-CG2 3.65Å; L125-I420 HydrophobicContact CD2-CG2 4.12Å; L242-I420 HydrophobicContact CD1-CD1 4.24Å; T416-I420 WeakPolarHBondContact O-CG1 3.41Å; T416-I420 PolarHBondContact O-N 3.19Å; V417-I420 PolarHBondContact O-N 2.88Å; I420-N422 VanDerWaalsContact C-N 3.31Å; I420-N422 PolarHBondContact O-N 2.84Å; I420-E423 PolarHBondContact O-N 2.98Å; I420-L424 HydrophobicContact CG2-CD1 3.82Å; I420-L424 HydrophobicContact CG2-CG 4.06Å; I420-L424 WeakPolarHBondContact O-CB 3.27Å; I420-L424 VanDerWaalsContact O-CG 3.27Å; I420-L424 WeakPolarHBondContact O-CG 3.41Å; I420-L424 PolarHBondContact O-N 3.37Å
421	Y	92.9	Very high	86.7	Confident	47 Å²	47	33.6 Å²	33.6	18%	0.184	18%	0.175	C	C	.	.	H	α-helix	trans	-55	-48	175	179.5	-93.9	0	0	0	111.3	V417 R418 L419 E423 L424 M425 L441 L445	V417-Y421 WeakPolarHBondContact O-CB 3.41Å; V417-Y421 PolarHBondContact O-N 2.76Å; R418-Y421 PolarHBondContact O-N 2.67Å; L419-Y421 VanDerWaalsContact C-N 3.32Å; L419-Y421 PolarHBondContact O-N 3.34Å; Y421-E423 PolarHBondContact O-N 3.41Å; Y421-L424 PolarHBondContact O-N 3.2Å; Y421-M425 HydrophobicContact CD1-CG 3.93Å; Y421-M425 HydrophobicContact CD2-CE 4.04Å; Y421-M425 HydrophobicContact CD2-CG 4.47Å; Y421-M425 HydrophobicContact CE1-CG 3.52Å; Y421-M425 HydrophobicContact CE1-SD 4.32Å; Y421-M425 HydrophobicContact CE2-CE 3.57Å; Y421-M425 HydrophobicContact CE2-CG 4.12Å; Y421-M425 HydrophobicContact CE2-SD 4.1Å; Y421-M425 HydrophobicContact CG-CG 4.39Å; Y421-M425 VanDerWaalsContact O-CG 3.3Å; Y421-M425 WeakPolarHBondContact O-CG 3.43Å; Y421-M425 PolarHBondContact O-N 3.03Å; Y421-L441 HydrophobicContact CD2-CD1 4.43Å; Y421-L441 HydrophobicContact CD2-CD2 4.02Å; Y421-L441 HydrophobicContact CE2-CD2 4.2Å; Y421-L445 HydrophobicContact CD1-CD1 4.23Å; Y421-L445 HydrophobicContact CD1-CD2 4.21Å; Y421-L445 HydrophobicContact CD2-CD1 4.12Å; Y421-L445 HydrophobicContact CE1-CD1 4.22Å; Y421-L445 HydrophobicContact CE2-CD1 4.09Å; Y421-L445 HydrophobicContact CG-CD1 4.18Å; Y421-L445 HydrophobicContact CG-CD2 4.07Å
422	N	90.9	Very high	85.6	Confident	33 Å²	33	31.9 Å²	31.9	18%	0.176	16%	0.162	C	C	.	.	H	α-helix	trans	-62.2	-40.6	178.1	-71	-0.5	0	0	0	112.2	R418 L419 I420 M425 K426	R418-N422 WeakPolarHBondContact O-CB 3.28Å; R418-N422 PolarHBondContact O-N 3.42Å; R418-N422 PolarHBondContact O-OD1 3.43Å; L419-N422 PolarHBondContact O-N 2.93Å; I420-N422 VanDerWaalsContact C-N 3.31Å; I420-N422 PolarHBondContact O-N 2.84Å; N422-M425 PolarHBondContact O-N 3.44Å; N422-K426 WeakPolarHBondContact O-CG 3.08Å; N422-K426 PolarHBondContact O-N 3.47Å
423	E	88.7	Confident	84.2	Confident	41 Å²	41	36.7 Å²	36.7	19%	0.192	19%	0.185	C	C	.	.	H	α-helix	trans	-66.7	-38.1	174.9	-66.6	-53.1	144.5	0	0	112.6	L240 L419 I420 Y421 K426	L240-E423 HydrophobicContact CD2-CB 4.34Å; L240-E423 HydrophobicContact CD2-CG 3.7Å; L419-E423 HydrophobicContact CD2-CG 4.47Å; L419-E423 PolarHBondContact O-N 3.46Å; I420-E423 PolarHBondContact O-N 2.98Å; Y421-E423 PolarHBondContact O-N 3.41Å; E423-K426 PolarHBondContact O-N 3.24Å; E423-K426 IonicContact OE1-NZ 2.69Å; E423-K426 PolarHBondContact OE1-NZ 2.88Å; E423-K426 WeakPolarHBondContact OE2-CD 3.47Å; E423-K426 IonicContact OE2-NZ 3.85Å; E423-K426 PolarHBondContact OE2-NZ 3.35Å
424	L	88.6	Confident	83.1	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-68.2	-39.2	175.3	-66	177.6	0	0	0	111.3	L31 P32 F55 L125 I420 Y421 K426 I427 F432 L435	L31-L424 HydrophobicContact CD2-CD2 4.26Å; P32-L424 VanDerWaalsContact CD-CD2 3.43Å; P32-L424 HydrophobicContact CG-CD2 3.64Å; F55-L424 HydrophobicContact CD1-CD1 3.51Å; F55-L424 HydrophobicContact CE1-CD1 3.83Å; F55-L424 HydrophobicContact CG-CD1 4.21Å; L125-L424 HydrophobicContact CD1-CD2 4.26Å; I420-L424 HydrophobicContact CG2-CD1 3.82Å; I420-L424 HydrophobicContact CG2-CG 4.06Å; I420-L424 WeakPolarHBondContact O-CB 3.27Å; I420-L424 VanDerWaalsContact O-CG 3.27Å; I420-L424 WeakPolarHBondContact O-CG 3.41Å; I420-L424 PolarHBondContact O-N 3.37Å; Y421-L424 PolarHBondContact O-N 3.2Å; L424-K426 PolarHBondContact O-N 3.22Å; L424-I427 CarbonylContact O-C 3.46Å; L424-I427 WeakPolarHBondContact O-CA 3.24Å; L424-I427 VanDerWaalsContact O-CB 3.29Å; L424-I427 WeakPolarHBondContact O-CB 3.5Å; L424-I427 PolarHBondContact O-N 2.94Å; L424-F432 HydrophobicContact CB-CD1 4.36Å; L424-F432 HydrophobicContact CB-CD2 4.22Å; L424-F432 HydrophobicContact CB-CE1 4.02Å; L424-F432 HydrophobicContact CB-CE2 3.88Å; L424-F432 HydrophobicContact CB-CG 4.45Å; L424-F432 HydrophobicContact CB-CZ 3.76Å; L424-F432 HydrophobicContact CD1-CD1 4.27Å; L424-F432 HydrophobicContact CD1-CE1 3.91Å; L424-F432 HydrophobicContact CD1-CZ 4.4Å; L424-F432 HydrophobicContact CD2-CE1 3.74Å; L424-F432 HydrophobicContact CD2-CE2 4.41Å; L424-F432 HydrophobicContact CD2-CZ 3.53Å; L424-F432 HydrophobicContact CG-CE1 4.08Å; L424-F432 HydrophobicContact CG-CZ 4.06Å; L424-F432 WeakPolarHBondContact O-CE2 3.49Å; L424-L435 HydrophobicContact CD1-CD1 4.14Å
425	M	86	Confident	82.4	Confident	57 Å²	57	44.4 Å²	44.4	28%	0.281	23%	0.226	S	C	.	.	H	α-helix	trans	-68	-21.6	178.4	-68.7	-58.7	115.1	0	0	113.7	Y421 N422 I427 F432	Y421-M425 HydrophobicContact CD1-CG 3.93Å; Y421-M425 HydrophobicContact CD2-CE 4.04Å; Y421-M425 HydrophobicContact CD2-CG 4.47Å; Y421-M425 HydrophobicContact CE1-CG 3.52Å; Y421-M425 HydrophobicContact CE1-SD 4.32Å; Y421-M425 HydrophobicContact CE2-CE 3.57Å; Y421-M425 HydrophobicContact CE2-CG 4.12Å; Y421-M425 HydrophobicContact CE2-SD 4.1Å; Y421-M425 HydrophobicContact CG-CG 4.39Å; Y421-M425 VanDerWaalsContact O-CG 3.3Å; Y421-M425 WeakPolarHBondContact O-CG 3.43Å; Y421-M425 PolarHBondContact O-N 3.03Å; N422-M425 PolarHBondContact O-N 3.44Å; M425-I427 PolarHBondContact O-N 3.06Å; M425-F432 HydrophobicContact CE-CB 3.57Å; M425-F432 HydrophobicContact CE-CD2 4.14Å; M425-F432 HydrophobicContact CE-CG 4.02Å
426	K	83.9	Confident	81.2	Confident	117 Å²	117	48.5 Å²	48.5	51%	0.509	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-21	168.8	-66.5	169.7	-166.7	172.1	0	111.8	R29 N422 E423 L424	R29-K426 PolarHBondContact NH1-O 3.37Å; N422-K426 WeakPolarHBondContact O-CG 3.08Å; N422-K426 PolarHBondContact O-N 3.47Å; E423-K426 PolarHBondContact O-N 3.24Å; E423-K426 IonicContact OE1-NZ 2.69Å; E423-K426 PolarHBondContact OE1-NZ 2.88Å; E423-K426 WeakPolarHBondContact OE2-CD 3.47Å; E423-K426 IonicContact OE2-NZ 3.85Å; E423-K426 PolarHBondContact OE2-NZ 3.35Å; L424-K426 PolarHBondContact O-N 3.22Å
427	I	78	Confident	80.5	Confident	14 Å²	14	54.6 Å²	54.6	7%	0.072	28%	0.275	C	S	.	.	S	Bend	trans	-95.8	130.2	176.3	-60.3	168.3	0	0	0	106	R29 P32 L424 M425 G429 L431 F432	R29-I427 HydrophobicContact CB-CB 4.15Å; R29-I427 HydrophobicContact CB-CG1 4.09Å; R29-I427 HydrophobicContact CB-CG2 3.46Å; R29-I427 VanDerWaalsContact CB-CG2 3.46Å; R29-I427 WeakPolarHBondContact O-CG2 3.29Å; P32-I427 HydrophobicContact CG-CD1 4.3Å; L424-I427 CarbonylContact O-C 3.46Å; L424-I427 WeakPolarHBondContact O-CA 3.24Å; L424-I427 VanDerWaalsContact O-CB 3.29Å; L424-I427 WeakPolarHBondContact O-CB 3.5Å; L424-I427 PolarHBondContact O-N 2.94Å; M425-I427 PolarHBondContact O-N 3.06Å; I427-G429 PolarHBondContact O-N 3.38Å; I427-G429 VanDerWaalsContact O-N 3.1Å; I427-L431 HydrophobicContact CG2-CD1 3.97Å; I427-F432 HydrophobicContact CB-CE2 4.12Å; I427-F432 HydrophobicContact CG2-CE2 4.11Å; I427-F432 HydrophobicContact CG2-CZ 4.47Å
428	D	66.5	Low	80.1	Confident	69 Å²	69	56.8 Å²	56.8	37%	0.369	29%	0.286	S	S	.	.			trans	-16.3	105.6	-176.8	-173.6	1.7	0	0	0	114.8	L430 L431	D428-L430 PolarHBondContact O-N 3.3Å; D428-L430 PolarHBondContact OD1-N 3.09Å; D428-L431 HydrophobicContact CB-CD1 4.41Å; D428-L431 WeakPolarHBondContact O-CB 3.38Å; D428-L431 PolarHBondContact O-N 2.91Å
429	G	62.3	Low	79.9	Confident	28 Å²	28	60.9 Å²	60.9	29%	0.289	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-60.5	-14.2	-170.2	0	0	0	0	0	114.7	I427 L431 F432	I427-G429 PolarHBondContact O-N 3.38Å; I427-G429 VanDerWaalsContact O-N 3.1Å; G429-L431 VanDerWaalsContact C-N 3.3Å; G429-F432 PolarHBondContact O-N 3.22Å
430	L	60.2	Low	79.8	Confident	117 Å²	117	65.3 Å²	65.3	61%	0.613	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-66.5	-28.7	173.3	-70.2	164.4	0	0	0	112.6	D428 F432 E433	D428-L430 PolarHBondContact O-N 3.3Å; D428-L430 PolarHBondContact OD1-N 3.09Å; L430-F432 PolarHBondContact O-N 3.17Å; L430-E433 WeakPolarHBondContact CD2-OE1 3.06Å
431	L	62.8	Low	79.8	Confident	79 Å²	79	65.4 Å²	65.4	41%	0.414	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-66.7	-17.5	178.3	-72.7	169.1	0	0	0	113.1	I427 D428 G429	I427-L431 HydrophobicContact CG2-CD1 3.97Å; D428-L431 HydrophobicContact CB-CD1 4.41Å; D428-L431 WeakPolarHBondContact O-CB 3.38Å; D428-L431 PolarHBondContact O-N 2.91Å; G429-L431 VanDerWaalsContact C-N 3.3Å
432	F	70.9	Confident	79.8	Confident	16 Å²	16	67.3 Å²	67.3	7%	0.07	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-121.9	19.9	-168.7	-56.9	-68.4	0	0	0	113.1	L31 L424 M425 I427 G429 L430 N434 L435	L31-F432 HydrophobicContact CD2-CE1 3.63Å; L31-F432 HydrophobicContact CD2-CZ 3.43Å; L31-F432 VanDerWaalsContact CD2-CZ 3.43Å; L424-F432 HydrophobicContact CB-CD1 4.36Å; L424-F432 HydrophobicContact CB-CD2 4.22Å; L424-F432 HydrophobicContact CB-CE1 4.02Å; L424-F432 HydrophobicContact CB-CE2 3.88Å; L424-F432 HydrophobicContact CB-CG 4.45Å; L424-F432 HydrophobicContact CB-CZ 3.76Å; L424-F432 HydrophobicContact CD1-CD1 4.27Å; L424-F432 HydrophobicContact CD1-CE1 3.91Å; L424-F432 HydrophobicContact CD1-CZ 4.4Å; L424-F432 HydrophobicContact CD2-CE1 3.74Å; L424-F432 HydrophobicContact CD2-CE2 4.41Å; L424-F432 HydrophobicContact CD2-CZ 3.53Å; L424-F432 HydrophobicContact CG-CE1 4.08Å; L424-F432 HydrophobicContact CG-CZ 4.06Å; L424-F432 WeakPolarHBondContact O-CE2 3.49Å; M425-F432 HydrophobicContact CE-CB 3.57Å; M425-F432 HydrophobicContact CE-CD2 4.14Å; M425-F432 HydrophobicContact CE-CG 4.02Å; I427-F432 HydrophobicContact CB-CE2 4.12Å; I427-F432 HydrophobicContact CG2-CE2 4.11Å; I427-F432 HydrophobicContact CG2-CZ 4.47Å; G429-F432 PolarHBondContact O-N 3.22Å; L430-F432 PolarHBondContact O-N 3.17Å; F432-N434 PolarHBondContact O-N 3.05Å; F432-L435 HydrophobicContact CB-CB 4.43Å; F432-L435 HydrophobicContact CB-CD1 3.91Å; F432-L435 HydrophobicContact CB-CG 4.19Å; F432-L435 HydrophobicContact CD1-CD1 3.62Å; F432-L435 HydrophobicContact CD1-CG 4.31Å; F432-L435 HydrophobicContact CG-CD1 4.08Å; F432-L435 WeakPolarHBondContact O-CB 3.37Å; F432-L435 PolarHBondContact O-N 3.08Å
433	E	67.6	Low	80	Confident	102 Å²	102	68 Å²	68	48%	0.477	35%	0.345	S	S	.	.	H	α-helix	trans	-54.8	-41.5	175.7	-72.2	-171.9	158.5	0	0	111.6	L430 L435 K436	L430-E433 WeakPolarHBondContact CD2-OE1 3.06Å; E433-L435 PolarHBondContact O-N 3.48Å; E433-L435 VanDerWaalsContact O-N 3.13Å; E433-K436 VanDerWaalsContact O-CB 3.28Å; E433-K436 WeakPolarHBondContact O-CB 3.46Å; E433-K436 PolarHBondContact O-N 3.06Å
434	N	73.7	Confident	80.3	Confident	142 Å²	142	66.1 Å²	66.1	76%	0.759	34%	0.336	S	S	*	.	H	α-helix	trans	-60.8	-24.3	176.7	-61.8	-23.9	0	0	0	113.8	F432 K436	F432-N434 PolarHBondContact O-N 3.05Å; N434-K436 VanDerWaalsContact C-N 3.32Å
435	L	80.6	Confident	80.5	Confident	19 Å²	19	66.9 Å²	66.9	10%	0.099	34%	0.34	C	S	.	.	H	α-helix	trans	-72.9	-29.1	175.1	-63.3	-175.4	0	0	0	111.3	F55 L424 F432 E433 D437 N438 L441	F55-L435 HydrophobicContact CD1-CD1 3.76Å; F55-L435 HydrophobicContact CD1-CD2 4.31Å; F55-L435 HydrophobicContact CE1-CD1 4.18Å; L424-L435 HydrophobicContact CD1-CD1 4.14Å; F432-L435 HydrophobicContact CB-CB 4.43Å; F432-L435 HydrophobicContact CB-CD1 3.91Å; F432-L435 HydrophobicContact CB-CG 4.19Å; F432-L435 HydrophobicContact CD1-CD1 3.62Å; F432-L435 HydrophobicContact CD1-CG 4.31Å; F432-L435 HydrophobicContact CG-CD1 4.08Å; F432-L435 WeakPolarHBondContact O-CB 3.37Å; F432-L435 PolarHBondContact O-N 3.08Å; E433-L435 PolarHBondContact O-N 3.48Å; E433-L435 VanDerWaalsContact O-N 3.13Å; L435-D437 PolarHBondContact O-N 3.35Å; L435-N438 WeakPolarHBondContact O-CB 3.28Å; L435-N438 PolarHBondContact O-N 3.22Å; L435-N438 VanDerWaalsContact O-N 3.12Å; L435-L441 HydrophobicContact CB-CD2 3.85Å; L435-L441 WeakPolarHBondContact O-CD2 3.48Å
436	K	73.3	Confident	81	Confident	104 Å²	104	70.5 Å²	70.5	45%	0.452	36%	0.361	S	S	.	.	H	α-helix	trans	-65.6	-22	-178.5	-61.4	179.3	-178.7	170	0	112.6	E433 N434 K442	E433-K436 VanDerWaalsContact O-CB 3.28Å; E433-K436 WeakPolarHBondContact O-CB 3.46Å; E433-K436 PolarHBondContact O-N 3.06Å; N434-K436 VanDerWaalsContact C-N 3.32Å; K436-K442 WeakPolarHBondContact O-CE 3.45Å; K436-K442 PolarHBondContact O-NZ 3.26Å; K436-K442 VanDerWaalsContact O-NZ 3.1Å
437	D	81.1	Confident	81.5	Confident	127 Å²	127	68.4 Å²	68.4	68%	0.679	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-1.7	178.1	-62.7	-32.4	0	0	0	113.4	L435 D439	L435-D437 PolarHBondContact O-N 3.35Å; D437-D439 PolarHBondContact O-N 2.84Å
438	N	88.5	Confident	82.3	Confident	46 Å²	46	68 Å²	68	25%	0.246	35%	0.353	C	S	.	.			trans	-80.7	100.5	179.2	-174.3	-23	0	0	0	110.8	V54 L435 Y440 L441 K442	V54-N438 PolarHBondContact O-ND2 2.72Å; L435-N438 WeakPolarHBondContact O-CB 3.28Å; L435-N438 PolarHBondContact O-N 3.22Å; L435-N438 VanDerWaalsContact O-N 3.12Å; N438-Y440 VanDerWaalsContact C-N 3.27Å; N438-Y440 PolarHBondContact O-N 2.9Å; N438-Y440 WeakPolarHBondContact OD1-CB 3.15Å; N438-Y440 PolarHBondContact OD1-N 2.98Å; N438-Y440 VanDerWaalsContact OD1-N 3.11Å; N438-L441 HydrophobicContact CB-CB 3.83Å; N438-L441 WeakPolarHBondContact O-CB 3.2Å; N438-L441 PolarHBondContact O-N 3.42Å; N438-L441 VanDerWaalsContact O-N 3.15Å; N438-L441 PolarHBondContact OD1-N 3.33Å; N438-K442 PolarHBondContact O-N 3.02Å
439	D	91.9	Very high	83.5	Confident	117 Å²	117	67.7 Å²	67.7	63%	0.626	36%	0.355	S	S	*	.	H	α-helix	trans	-62.2	-32.8	-179.9	-69	-25.5	0	0	0	113.2	D437 K442 S443	D437-D439 PolarHBondContact O-N 2.84Å; D439-K442 PolarHBondContact O-N 3.03Å; D439-K442 IonicContact OD1-NZ 2.74Å; D439-K442 PolarHBondContact OD1-NZ 3.47Å; D439-S443 PolarHBondContact O-N 3.35Å
440	Y	93.3	Very high	84.9	Confident	95 Å²	95	72.9 Å²	72.9	37%	0.373	37%	0.371	S	S	.	.	H	α-helix	trans	-66	-43.3	174.8	-179.4	-120.5	0	0	0	111.2	V54 H409 I413 N438 K442 S443 L444	V54-Y440 HydrophobicContact CG2-CD1 3.9Å; V54-Y440 HydrophobicContact CG2-CE1 3.72Å; H409-Y440 PolarHBondContact CE1-OH 2.86Å; H409-Y440 VanDerWaalsContact CE1-OH 3.29Å; I413-Y440 HydrophobicContact CD1-CE1 4.42Å; I413-Y440 WeakPolarHBondContact CD1-OH 3.4Å; N438-Y440 VanDerWaalsContact C-N 3.27Å; N438-Y440 PolarHBondContact O-N 2.9Å; N438-Y440 WeakPolarHBondContact OD1-CB 3.15Å; N438-Y440 PolarHBondContact OD1-N 2.98Å; N438-Y440 VanDerWaalsContact OD1-N 3.11Å; Y440-K442 VanDerWaalsContact C-N 3.35Å; Y440-K442 PolarHBondContact O-N 2.72Å; Y440-S443 PolarHBondContact O-N 3.46Å; Y440-S443 PolarHBondContact O-OG 3.45Å; Y440-L444 HydrophobicContact CD1-CD1 4.17Å; Y440-L444 HydrophobicContact CE1-CD1 3.7Å; Y440-L444 HydrophobicContact CE1-CG 4.48Å; Y440-L444 HydrophobicContact CE2-CD1 4.32Å; Y440-L444 HydrophobicContact CE2-CD2 4.38Å; Y440-L444 HydrophobicContact CE2-CG 4.27Å; Y440-L444 WeakPolarHBondContact O-CG 3.46Å; Y440-L444 PolarHBondContact O-N 3.3Å; Y440-L444 VanDerWaalsContact O-N 3.11Å
441	L	93.7	Very high	86.4	Confident	2 Å²	2	75.1 Å²	75.1	1%	0.01	38%	0.384	C	S	.	.	H	α-helix	trans	-56.4	-48.7	171.8	172.7	62.2	0	0	0	110.8	V54 F55 V417 Y421 L435 N438 S443 L444 L445	V54-L441 HydrophobicContact CG1-CB 4.29Å; V54-L441 HydrophobicContact CG1-CD1 3.83Å; F55-L441 HydrophobicContact CE1-CD1 4.39Å; F55-L441 HydrophobicContact CZ-CD1 4.4Å; V417-L441 HydrophobicContact CG1-CD1 3.24Å; Y421-L441 HydrophobicContact CD2-CD1 4.43Å; Y421-L441 HydrophobicContact CD2-CD2 4.02Å; Y421-L441 HydrophobicContact CE2-CD2 4.2Å; L435-L441 HydrophobicContact CB-CD2 3.85Å; L435-L441 WeakPolarHBondContact O-CD2 3.48Å; N438-L441 HydrophobicContact CB-CB 3.83Å; N438-L441 WeakPolarHBondContact O-CB 3.2Å; N438-L441 PolarHBondContact O-N 3.42Å; N438-L441 VanDerWaalsContact O-N 3.15Å; N438-L441 PolarHBondContact OD1-N 3.33Å; L441-S443 VanDerWaalsContact C-N 3.33Å; L441-S443 PolarHBondContact O-N 2.94Å; L441-L444 PolarHBondContact O-N 2.82Å; L441-L444 VanDerWaalsContact O-N 3.11Å; L441-L445 HydrophobicContact CD1-CD1 4.04Å; L441-L445 HydrophobicContact CD1-CD2 4.22Å; L441-L445 HydrophobicContact CD1-CG 3.93Å; L441-L445 HydrophobicContact CG-CD1 3.97Å; L441-L445 HydrophobicContact CG-CG 4.26Å; L441-L445 VanDerWaalsContact O-CG 3.32Å; L441-L445 WeakPolarHBondContact O-CG 3.23Å; L441-L445 PolarHBondContact O-N 3.43Å
442	K	92.9	Very high	87.8	Confident	87 Å²	87	74.9 Å²	74.9	38%	0.378	39%	0.389	S	S	.	.	H	α-helix	trans	-55.7	-47.5	177.7	-67.9	174.7	-170.8	155	0	111.7	K436 N438 D439 Y440 L444 L445 D446	K436-K442 WeakPolarHBondContact O-CE 3.45Å; K436-K442 PolarHBondContact O-NZ 3.26Å; K436-K442 VanDerWaalsContact O-NZ 3.1Å; N438-K442 PolarHBondContact O-N 3.02Å; D439-K442 PolarHBondContact O-N 3.03Å; D439-K442 IonicContact OD1-NZ 2.74Å; D439-K442 PolarHBondContact OD1-NZ 3.47Å; Y440-K442 VanDerWaalsContact C-N 3.35Å; Y440-K442 PolarHBondContact O-N 2.72Å; K442-L444 VanDerWaalsContact C-N 3.26Å; K442-L444 PolarHBondContact O-N 3.48Å; K442-L445 CarbonylContact O-C 3.59Å; K442-L445 WeakPolarHBondContact O-CB 3.27Å; K442-L445 PolarHBondContact O-N 2.9Å; K442-L445 VanDerWaalsContact O-N 3.07Å; K442-D446 PolarHBondContact O-N 3.24Å
443	S	94.8	Very high	88.7	Confident	48 Å²	48	75.5 Å²	75.5	34%	0.336	40%	0.395	S	S	.	.	H	α-helix	trans	-58.3	-36.9	178	78	0	0	0	0	113.2	D439 Y440 L441 D446 I447	D439-S443 PolarHBondContact O-N 3.35Å; Y440-S443 PolarHBondContact O-N 3.46Å; Y440-S443 PolarHBondContact O-OG 3.45Å; L441-S443 VanDerWaalsContact C-N 3.33Å; L441-S443 PolarHBondContact O-N 2.94Å; S443-D446 PolarHBondContact O-N 3.07Å; S443-I447 WeakPolarHBondContact O-CD1 3.35Å; S443-I447 VanDerWaalsContact O-CG1 3.28Å; S443-I447 WeakPolarHBondContact O-CG1 3.33Å; S443-I447 PolarHBondContact O-N 3.43Å
444	L	95	Very high	89.8	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.005	38%	0.38	C	S	.	.	H	α-helix	trans	-73	-37	177.1	-68.7	177.8	0	0	0	111.9	V54 I413 A414 V417 Y440 L441 K442 D446 I447 C448	V54-L444 HydrophobicContact CG2-CD1 4.16Å; I413-L444 HydrophobicContact CD1-CD1 3.89Å; I413-L444 HydrophobicContact CG1-CD1 4.1Å; I413-L444 HydrophobicContact CG2-CD2 3.88Å; A414-L444 HydrophobicContact CB-CB 4.44Å; A414-L444 HydrophobicContact CB-CD2 4.24Å; A414-L444 WeakPolarHBondContact CB-O 3.34Å; V417-L444 HydrophobicContact CB-CD1 4.35Å; V417-L444 HydrophobicContact CG1-CB 4.16Å; V417-L444 HydrophobicContact CG1-CD1 4.25Å; V417-L444 HydrophobicContact CG2-CD1 3.91Å; Y440-L444 HydrophobicContact CD1-CD1 4.17Å; Y440-L444 HydrophobicContact CE1-CD1 3.7Å; Y440-L444 HydrophobicContact CE1-CG 4.48Å; Y440-L444 HydrophobicContact CE2-CD1 4.32Å; Y440-L444 HydrophobicContact CE2-CD2 4.38Å; Y440-L444 HydrophobicContact CE2-CG 4.27Å; Y440-L444 WeakPolarHBondContact O-CG 3.46Å; Y440-L444 PolarHBondContact O-N 3.3Å; Y440-L444 VanDerWaalsContact O-N 3.11Å; L441-L444 PolarHBondContact O-N 2.82Å; L441-L444 VanDerWaalsContact O-N 3.11Å; K442-L444 VanDerWaalsContact C-N 3.26Å; K442-L444 PolarHBondContact O-N 3.48Å; L444-D446 VanDerWaalsContact C-N 3.34Å; L444-I447 HydrophobicContact CD2-CD1 4.41Å; L444-I447 PolarHBondContact O-N 3.32Å; L444-C448 PolarHBondContact O-N 3.24Å
445	L	94.4	Very high	90.7	Very high	17 Å²	17	73.8 Å²	73.8	9%	0.089	38%	0.382	C	S	.	.	H	α-helix	trans	-65.7	-37.4	173.8	-66.1	-179.6	0	0	0	110.9	V417 R418 Y421 L441 K442 I447 C448	V417-L445 HydrophobicContact CG1-CD2 4.29Å; R418-L445 HydrophobicContact CB-CD2 4.31Å; R418-L445 VanDerWaalsContact NH2-C 3.31Å; R418-L445 PolarHBondContact NH2-O 3.3Å; Y421-L445 HydrophobicContact CD1-CD1 4.23Å; Y421-L445 HydrophobicContact CD1-CD2 4.21Å; Y421-L445 HydrophobicContact CD2-CD1 4.12Å; Y421-L445 HydrophobicContact CE1-CD1 4.22Å; Y421-L445 HydrophobicContact CE2-CD1 4.09Å; Y421-L445 HydrophobicContact CG-CD1 4.18Å; Y421-L445 HydrophobicContact CG-CD2 4.07Å; L441-L445 HydrophobicContact CD1-CD1 4.04Å; L441-L445 HydrophobicContact CD1-CD2 4.22Å; L441-L445 HydrophobicContact CD1-CG 3.93Å; L441-L445 HydrophobicContact CG-CD1 3.97Å; L441-L445 HydrophobicContact CG-CG 4.26Å; L441-L445 VanDerWaalsContact O-CG 3.32Å; L441-L445 WeakPolarHBondContact O-CG 3.23Å; L441-L445 PolarHBondContact O-N 3.43Å; K442-L445 CarbonylContact O-C 3.59Å; K442-L445 WeakPolarHBondContact O-CB 3.27Å; K442-L445 PolarHBondContact O-N 2.9Å; K442-L445 VanDerWaalsContact O-N 3.07Å; L445-I447 VanDerWaalsContact C-N 3.33Å; L445-I447 PolarHBondContact O-N 3.06Å; L445-C448 CarbonylContact O-C 3.5Å; L445-C448 PolarHBondContact O-N 3.39Å
446	D	94.6	Very high	91.1	Very high	134 Å²	134	75 Å²	75	72%	0.717	39%	0.394	S	S	*	.	H	α-helix	trans	-65.6	-36.4	175.5	-66.5	-23.5	0	0	0	112.2	K442 S443 L444 C448	K442-D446 PolarHBondContact O-N 3.24Å; S443-D446 PolarHBondContact O-N 3.07Å; L444-D446 VanDerWaalsContact C-N 3.34Å; D446-C448 VanDerWaalsContact C-N 3.34Å
447	I	95.3	Very high	91.7	Very high	73 Å²	73	73.6 Å²	73.6	37%	0.374	39%	0.39	S	S	.	.	H	α-helix	trans	-65.9	-36.4	175.6	-69.3	164.7	0	0	0	111.7	K410 A414 S443 L444 L445	K410-I447 HydrophobicContact CB-CG2 4.27Å; K410-I447 HydrophobicContact CG-CG2 3.93Å; A414-I447 HydrophobicContact CB-CB 3.89Å; A414-I447 HydrophobicContact CB-CG2 3.61Å; S443-I447 WeakPolarHBondContact O-CD1 3.35Å; S443-I447 VanDerWaalsContact O-CG1 3.28Å; S443-I447 WeakPolarHBondContact O-CG1 3.33Å; S443-I447 PolarHBondContact O-N 3.43Å; L444-I447 HydrophobicContact CD2-CD1 4.41Å; L444-I447 PolarHBondContact O-N 3.32Å; L445-I447 VanDerWaalsContact C-N 3.33Å; L445-I447 PolarHBondContact O-N 3.06Å
448	C	94.3	Very high	91.1	Very high	5 Å²	5	72 Å²	72	3%	0.034	39%	0.388	C	S	.	.	S	Bend	trans	-120.2	91	179	-175.3	0	0	0	0	110.7	A414 R418 L444 L445 D446	A414-C448 HydrophobicContact CB-CB 3.93Å; R418-C448 HydrophobicContact CB-CB 4.28Å; R418-C448 VanDerWaalsContact CZ-O 3.32Å; R418-C448 PolarHBondContact NE-O 3.3Å; R418-C448 PolarHBondContact NH2-O 3.45Å; L444-C448 PolarHBondContact O-N 3.24Å; L445-C448 CarbonylContact O-C 3.5Å; L445-C448 PolarHBondContact O-N 3.39Å; D446-C448 VanDerWaalsContact C-N 3.34Å
449	P	92.8	Very high	89.7	Confident	63 Å²	63	74.1 Å²	74.1	41%	0.409	40%	0.396	S	S	.	.			trans	-63.6	165.8	176.4	27.8	-34.8	0	0	0	111.8	D451 S452	P449-D451 VanDerWaalsContact C-N 3.31Å; P449-D451 PolarHBondContact O-N 2.84Å; P449-S452 PolarHBondContact O-N 3.21Å
450	E	91.2	Very high	87.5	Confident	137 Å²	137	75.1 Å²	75.1	64%	0.64	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-58.7	-39.7	-173.9	-170.4	168.3	-174.7	0	0	113.2	S452 C453	E450-S452 PolarHBondContact O-N 3.18Å; E450-C453 WeakPolarHBondContact O-CB 3.04Å; E450-C453 PolarHBondContact O-N 3.43Å; E450-C453 VanDerWaalsContact O-N 3.08Å
451	D	91.9	Very high	85.1	Confident	163 Å²	163	73.7 Å²	73.7	87%	0.872	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-64.3	-21.7	177.7	-64	-36.5	0	0	0	113.6	P449	P449-D451 VanDerWaalsContact C-N 3.31Å; P449-D451 PolarHBondContact O-N 2.84Å
452	S	91.4	Very high	82.3	Confident	75 Å²	75	76.8 Å²	76.8	52%	0.524	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-94.2	2.8	178.6	-61.8	0	0	0	0	113	P449 E450	P449-S452 PolarHBondContact O-N 3.21Å; E450-S452 PolarHBondContact O-N 3.18Å
453	C	90.7	Very high	79.6	Confident	28 Å²	28	82.3 Å²	82.3	19%	0.189	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-59.2	131.8	178.9	-175	0	0	0	0	110.8	R418 E450 K455	R418-C453 HydrophobicContact CG-CB 3.93Å; E450-C453 WeakPolarHBondContact O-CB 3.04Å; E450-C453 PolarHBondContact O-N 3.43Å; E450-C453 VanDerWaalsContact O-N 3.08Å; C453-K455 PolarHBondContact O-N 3.39Å
454	P	91.3	Very high	76.7	Confident	27 Å²	27	84.7 Å²	84.7	18%	0.175	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-55.8	139.9	176	-25.8	34.3	0	0	0	112	Y392 I394 P415 L419	Y392-P454 HydrophobicContact CD1-CB 4.42Å; Y392-P454 WeakPolarHBondContact CE1-O 3.05Å; I394-P454 HydrophobicContact CD1-CB 4.33Å; I394-P454 HydrophobicContact CD1-CG 4.07Å; P415-P454 HydrophobicContact CB-CG 3.54Å; L419-P454 HydrophobicContact CD1-CB 4.34Å
455	K	91.3	Very high	74.2	Confident	181 Å²	181	90.7 Å²	90.7	79%	0.787	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-96.5	150.7	174.3	-64	-179.6	-177.7	176.4	0	109.9	Y392 C453	Y392-K455 VanDerWaalsContact CD1-C 3.45Å; C453-K455 PolarHBondContact O-N 3.39Å
456	A	90	Very high	71.3	Confident	44 Å²	44	95.3 Å²	95.3	36%	0.364	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-64	138.9	175.2	0	0	0	0	0	110	P390 V391 Y392 S458	P390-A456 HydrophobicContact CB-CB 3.98Å; V391-A456 CarbonylContact O-C 3.5Å; V391-A456 WeakPolarHBondContact O-CA 3.42Å; Y392-A456 HydrophobicContact CD1-CB 4.2Å; Y392-A456 HydrophobicContact CE1-CB 3.87Å; Y392-A456 VanDerWaalsContact CE1-N 3.29Å; A456-S458 PolarHBondContact O-N 2.9Å
457	E	84.5	Confident	68.3	Low	76 Å²	76	96 Å²	96	36%	0.355	51%	0.514	S	S	.	.			trans	-64.6	114.1	176.4	-77.7	-70.6	171.9	0	0	110.3	L381 V391 R393 F459	L381-E457 HydrophobicContact CD2-CB 3.82Å; L381-E457 HydrophobicContact CD2-CG 4.47Å; V391-E457 PolarHBondContact O-N 3.33Å; R393-E457 HydrophobicContact CB-CG 3.57Å; R393-E457 WeakPolarHBondContact CB-OE1 3.09Å; R393-E457 WeakPolarHBondContact CD-OE1 3.32Å; E457-F459 PolarHBondContact O-N 2.96Å
458	S	68.8	Low	65.6	Low	93 Å²	93	96.8 Å²	96.8	65%	0.65	53%	0.526	S	S	*	.			trans	-91.3	93.1	172.1	61.6	0	0	0	0	109.4	A456	A456-S458 PolarHBondContact O-N 2.9Å
459	F	59.7	Low	63.1	Low	91 Å²	91	104.5 Å²	104.5	40%	0.399	56%	0.559	S	S	.	*			trans	-95.9	98.8	166	-155.8	-87.8	0	0	0	109.2	L381 R382 E457 L461	L381-F459 HydrophobicContact CB-CB 3.99Å; R382-F459 HydrophobicContact CG-CD1 3.8Å; R382-F459 HydrophobicContact CG-CE1 4.07Å; E457-F459 PolarHBondContact O-N 2.96Å; F459-L461 PolarHBondContact O-N 3.29Å
460	L	44.7	Very low	60.9	Low	138 Å²	138	108.4 Å²	108.4	72%	0.723	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-64.4	124.4	171.4	-67.3	169.9	0	0	0	108.3
461	L	44.1	Very low	59	Low	65 Å²	65	105.4 Å²	105.4	34%	0.34	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-53.4	134.5	161.3	-76.1	166.6	0	0	0	107.4	R382 F459 K463	R382-L461 HydrophobicContact CB-CD2 3.87Å; R382-L461 HydrophobicContact CG-CD2 4.25Å; F459-L461 PolarHBondContact O-N 3.29Å; L461-K463 PolarHBondContact O-N 2.94Å
462	P	34.1	Very low	57.2	Low	67 Å²	67	103.3 Å²	103.3	44%	0.435	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-52.3	130.9	169.4	-21.9	31.5	0	0	0	108.6	S464 F465	P462-S464 PolarHBondContact O-N 3.11Å; P462-F465 PolarHBondContact O-N 3.47Å; P462-F465 VanDerWaalsContact O-N 3.14Å
463	K	35.9	Very low	55.8	Low	202 Å²	202	105.9 Å²	105.9	88%	0.878	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-53.8	-13.5	178.2	-71.9	-176.2	176.5	-177.7	0	113.6	L461 F465 T466	L461-K463 PolarHBondContact O-N 2.94Å; K463-F465 VanDerWaalsContact C-N 3.27Å; K463-F465 PolarHBondContact O-N 2.9Å; K463-T466 PolarHBondContact O-OG1 3.47Å; K463-T466 VanDerWaalsContact O-OG1 3.09Å
464	S	35.7	Very low	54.8	Low	99 Å²	99	105.8 Å²	105.8	69%	0.692	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-76.8	0.2	177.8	61.3	0	0	0	0	115.3	P462	P462-S464 PolarHBondContact O-N 3.11Å
465	F	40.7	Very low	53.9	Low	127 Å²	127	107.1 Å²	107.1	56%	0.557	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-90.7	5.4	178.1	-107.4	-87.1	0	0	0	114.8	P462 K463	P462-F465 PolarHBondContact O-N 3.47Å; P462-F465 VanDerWaalsContact O-N 3.14Å; K463-F465 VanDerWaalsContact C-N 3.27Å; K463-F465 PolarHBondContact O-N 2.9Å
466	T	33.6	Very low	53.3	Low	113 Å²	113	102.8 Å²	102.8	69%	0.693	54%	0.542	S	S	*	.	S	Bend	trans	-99.5	113.4	170.8	44.8	0	0	0	0	109.6	K463	K463-T466 PolarHBondContact O-OG1 3.47Å; K463-T466 VanDerWaalsContact O-OG1 3.09Å
467	E	32.1	Very low	53	Low	149 Å²	149	100.9 Å²	100.9	70%	0.696	53%	0.526	S	S	*	.			trans	67	73.3	168.3	-57.1	-175.1	-156.8	0	0	117.2	K469	E467-K469 PolarHBondContact O-N 2.7Å; E467-K469 VanDerWaalsContact OE2-CE 3.27Å; E467-K469 WeakPolarHBondContact OE2-CE 3.41Å; E467-K469 IonicContact OE2-NZ 2.94Å; E467-K469 PolarHBondContact OE2-NZ 2.91Å
468	S	39.2	Very low	52.9	Low	89 Å²	89	101.5 Å²	101.5	62%	0.622	54%	0.539	S	S	*	.			trans	-82.8	98.5	141.5	61.9	0	0	0	0	108	D471	S468-D471 PolarHBondContact OG-OD2 3.42Å
469	K	41.9	Very low	53.7	Low	168 Å²	168	99.3 Å²	99.3	73%	0.73	52%	0.519	S	S	*	.			trans	-74.5	121.9	158.6	-68.8	173.4	-177.5	155.8	0	105.6	E467	E467-K469 PolarHBondContact O-N 2.7Å; E467-K469 VanDerWaalsContact OE2-CE 3.27Å; E467-K469 WeakPolarHBondContact OE2-CE 3.41Å; E467-K469 IonicContact OE2-NZ 2.94Å; E467-K469 PolarHBondContact OE2-NZ 2.91Å
470	D	46.1	Very low	54.6	Low	144 Å²	144	95.1 Å²	95.1	77%	0.77	50%	0.501	S	S	*	.			trans	84.7	79.8	-177.2	-65.3	-29.6	0	0	0	118.2
471	D	50.6	Low	56.2	Low	74 Å²	74	93.6 Å²	93.6	40%	0.396	50%	0.502	S	S	.	.			trans	-120.3	75.4	156	-85.2	-49	0	0	0	108.6	S468	S468-D471 PolarHBondContact OG-OD2 3.42Å
472	N	55.2	Low	57.5	Low	119 Å²	119	95.4 Å²	95.4	64%	0.636	51%	0.512	S	S	*	.			trans	-88.8	119.2	-177	-115.6	-14.5	0	0	0	111.8
473	F	61.8	Low	59.4	Low	129 Å²	129	98.3 Å²	98.3	57%	0.566	51%	0.514	S	S	*	.	S	Bend	trans	78.7	147.1	169.8	-56.7	-76.5	0	0	0	117.8	F475	F473-F475 PolarHBondContact O-N 3.46Å
474	P	68.8	Low	61.1	Low	27 Å²	27	90.2 Å²	90.2	18%	0.175	48%	0.48	C	S	.	.			trans	-61.1	129	173.1	26.1	-34.7	0	0	0	110.6	I476 I484 F485	P474-I476 PolarHBondContact O-N 2.98Å; P474-I484 HydrophobicContact CB-CG2 3.44Å; P474-I484 VanDerWaalsContact CB-CG2 3.44Å; P474-I484 HydrophobicContact CG-CG2 4.3Å; P474-F485 CarbonylContact C-O 3.53Å; P474-F485 WeakPolarHBondContact CA-O 3.38Å
475	F	73.3	Confident	62.9	Low	54 Å²	54	87.2 Å²	87.2	24%	0.237	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	125	175.7	-53.5	-89	0	0	0	109.9	F473 I484 F485 I488 W491	F473-F475 PolarHBondContact O-N 3.46Å; F475-I484 CarbonylContact O-C 3.5Å; F475-I484 WeakPolarHBondContact O-CA 3.44Å; F475-F485 HydrophobicContact CB-CB 4.28Å; F475-F485 PolarHBondContact N-O 2.92Å; F475-F485 PolarHBondContact O-N 3.26Å; F475-I488 HydrophobicContact CE2-CB 4.14Å; F475-I488 HydrophobicContact CZ-CB 4.25Å; F475-I488 HydrophobicContact CZ-CG1 4.26Å; F475-W491 HydrophobicContact CB-CB 3.98Å; F475-W491 HydrophobicContact CB-CD2 3.51Å; F475-W491 HydrophobicContact CB-CE3 3.56Å; F475-W491 HydrophobicContact CB-CG 3.68Å; F475-W491 HydrophobicContact CB-CZ3 4.15Å; F475-W491 AromaticContact CD1-CD1 3.76Å; F475-W491 HydrophobicContact CD1-CD2 4.28Å; F475-W491 AromaticContact CD1-CG 3.97Å; F475-W491 HydrophobicContact CD1-CG 3.97Å; F475-W491 AromaticContact CD1-NE1 3.95Å; F475-W491 HydrophobicContact CD2-CB 3.82Å; F475-W491 HydrophobicContact CD2-CG 4.11Å; F475-W491 HydrophobicContact CE2-CB 4.48Å; F475-W491 HydrophobicContact CG-CB 3.86Å; F475-W491 AromaticContact CG-CD1 3.92Å; F475-W491 AromaticContact CG-CD2 3.98Å; F475-W491 HydrophobicContact CG-CD2 3.98Å; F475-W491 HydrophobicContact CG-CE3 4.49Å; F475-W491 AromaticContact CG-CG 3.65Å; F475-W491 HydrophobicContact CG-CG 3.65Å
476	I	79.4	Confident	64.3	Low	91 Å²	91	83.8 Å²	83.8	47%	0.467	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.9	-178.7	-53.2	-178	0	0	0	110.1	P474 S478 N482 R483 I484	P474-I476 PolarHBondContact O-N 2.98Å; I476-S478 PolarHBondContact O-N 2.97Å; I476-N482 HydrophobicContact CG2-CB 3.76Å; I476-R483 CarbonylContact C-O 3.31Å; I476-R483 WeakPolarHBondContact CA-O 3.47Å; I476-I484 HydrophobicContact CD1-CD1 4.44Å; I476-I484 HydrophobicContact CD1-CG1 4.48Å; I476-I484 HydrophobicContact CG1-CG1 4.12Å; I476-I484 HydrophobicContact CG1-CG2 4.27Å; I476-I484 HydrophobicContact CG2-CG1 4.46Å
477	C	81.8	Confident	66	Low	3 Å²	3	84.3 Å²	84.3	2%	0.02	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	99.7	174.9	-172.3	0	0	0	0	111.6	I479 C480 N482 R483 F485 W491 H494 H500	C477-I479 PolarHBondContact O-N 2.87Å; C477-C480 HydrophobicContact CB-CB 4Å; C477-C480 PolarHBondContact O-N 2.95Å; C477-C480 VanDerWaalsContact O-N 3.14Å; C477-C480 VanDerWaalsContact SG-CB 3.53Å; C477-C480 PolarHBondContact SG-N 2.76Å; C477-C480 VanDerWaalsContact SG-N 3.39Å; C477-N482 WeakPolarHBondContact O-CA 3.26Å; C477-N482 PolarHBondContact O-N 2.91Å; C477-R483 HydrophobicContact CB-CB 4.43Å; C477-R483 PolarHBondContact N-O 3.42Å; C477-F485 HydrophobicContact CB-CE2 4.44Å; C477-W491 HydrophobicContact CB-CH2 4.22Å; C477-W491 HydrophobicContact CB-CZ3 3.74Å; C477-H494 WeakPolarHBondContact CB-NE2 3.4Å; C477-H494 PolarHBondContact SG-NE2 3.42Å; C477-H500 PolarHBondContact SG-CE1 2.95Å; C477-H500 PolarHBondContact SG-ND1 3.33Å; C477-H500 VanDerWaalsContact SG-ND1 3.41Å
478	S	83.5	Confident	68.1	Low	90 Å²	90	80.4 Å²	80.4	63%	0.629	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-58.1	-29.1	175	57.9	0	0	0	0	113.8	I476 N482	I476-S478 PolarHBondContact O-N 2.97Å; S478-N482 WeakPolarHBondContact CA-OD1 3.33Å
479	I	84.7	Confident	69.7	Low	47 Å²	47	81.1 Å²	81.1	24%	0.241	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-76.9	-30.1	-179.7	-60.3	174.4	0	0	0	111.9	C477 R503 A504 Y507	C477-I479 PolarHBondContact O-N 2.87Å; I479-R503 HydrophobicContact CG2-CB 3.75Å; I479-A504 HydrophobicContact CD1-CB 3.89Å; I479-A504 HydrophobicContact CG2-CB 4.19Å; I479-Y507 HydrophobicContact CD1-CD1 4.3Å; I479-Y507 HydrophobicContact CG1-CD1 4.08Å; I479-Y507 HydrophobicContact CG1-CG 4.37Å
480	C	80.4	Confident	71.6	Confident	2 Å²	2	74.5 Å²	74.5	1%	0.014	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-108.4	47.8	-171.8	-69.1	0	0	0	0	112.3	C477 N482 R483 H494 H500	C477-C480 HydrophobicContact CB-CB 4Å; C477-C480 PolarHBondContact O-N 2.95Å; C477-C480 VanDerWaalsContact O-N 3.14Å; C477-C480 VanDerWaalsContact SG-CB 3.53Å; C477-C480 PolarHBondContact SG-N 2.76Å; C477-C480 VanDerWaalsContact SG-N 3.39Å; C480-N482 VanDerWaalsContact C-N 3.31Å; C480-N482 PolarHBondContact O-N 3.02Å; C480-R483 HydrophobicContact CB-CB 4.45Å; C480-R483 WeakPolarHBondContact O-CG 3.27Å; C480-R483 PolarHBondContact O-N 3.46Å; C480-H494 PolarHBondContact SG-CE1 3.15Å; C480-H500 PolarHBondContact SG-ND1 3.1Å
481	S	76.6	Confident	73.3	Confident	107 Å²	107	70.2 Å²	70.2	75%	0.748	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	42.4	178.3	-50.3	0	0	0	0	112.2	R483	S481-R483 VanDerWaalsContact C-N 3.26Å; S481-R483 PolarHBondContact O-N 3.3Å
482	N	71.2	Confident	75.1	Confident	102 Å²	102	70.7 Å²	70.7	55%	0.545	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	38.7	-178.5	-62.5	-19.3	0	0	0	113.6	I476 C477 S478 C480 I484	I476-N482 HydrophobicContact CG2-CB 3.76Å; C477-N482 WeakPolarHBondContact O-CA 3.26Å; C477-N482 PolarHBondContact O-N 2.91Å; S478-N482 WeakPolarHBondContact CA-OD1 3.33Å; C480-N482 VanDerWaalsContact C-N 3.31Å; C480-N482 PolarHBondContact O-N 3.02Å; N482-I484 WeakPolarHBondContact O-CG1 3.35Å; N482-I484 PolarHBondContact O-N 2.79Å
483	R	74.5	Confident	76.5	Confident	129 Å²	129	67.9 Å²	67.9	49%	0.487	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	130.7	172.6	-91.9	-175.9	-176	-162.4	-0.7	110.4	I476 C477 C480 S481 F485	I476-R483 CarbonylContact C-O 3.31Å; I476-R483 WeakPolarHBondContact CA-O 3.47Å; C477-R483 HydrophobicContact CB-CB 4.43Å; C477-R483 PolarHBondContact N-O 3.42Å; C480-R483 HydrophobicContact CB-CB 4.45Å; C480-R483 WeakPolarHBondContact O-CG 3.27Å; C480-R483 PolarHBondContact O-N 3.46Å; S481-R483 VanDerWaalsContact C-N 3.26Å; S481-R483 PolarHBondContact O-N 3.3Å; R483-F485 HydrophobicContact CB-CE2 3.78Å; R483-F485 HydrophobicContact CB-CZ 4.13Å
484	I	72	Confident	77.8	Confident	31 Å²	31	62.2 Å²	62.2	16%	0.159	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	138.2	-173.3	-49.5	-174.9	0	0	0	109.2	H186 P187 P474 F475 I476 N482	H186-I484 PolarHBondContact CD2-O 2.96Å; H186-I484 PolarHBondContact NE2-O 3.05Å; H186-I484 VanDerWaalsContact NE2-O 3.15Å; P187-I484 HydrophobicContact CB-CD1 4.28Å; P187-I484 HydrophobicContact CG-CD1 3.57Å; P474-I484 HydrophobicContact CB-CG2 3.44Å; P474-I484 VanDerWaalsContact CB-CG2 3.44Å; P474-I484 HydrophobicContact CG-CG2 4.3Å; F475-I484 CarbonylContact O-C 3.5Å; F475-I484 WeakPolarHBondContact O-CA 3.44Å; I476-I484 HydrophobicContact CD1-CD1 4.44Å; I476-I484 HydrophobicContact CD1-CG1 4.48Å; I476-I484 HydrophobicContact CG1-CG1 4.12Å; I476-I484 HydrophobicContact CG1-CG2 4.27Å; I476-I484 HydrophobicContact CG2-CG1 4.46Å; N482-I484 WeakPolarHBondContact O-CG1 3.35Å; N482-I484 PolarHBondContact O-N 2.79Å
485	F	73.9	Confident	78.7	Confident	37 Å²	37	64 Å²	64	16%	0.162	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	123.2	179.1	-60.2	-93.2	0	0	0	108.8	P474 F475 C477 R483 G490 W491 H494	P474-F485 CarbonylContact C-O 3.53Å; P474-F485 WeakPolarHBondContact CA-O 3.38Å; F475-F485 HydrophobicContact CB-CB 4.28Å; F475-F485 PolarHBondContact N-O 2.92Å; F475-F485 PolarHBondContact O-N 3.26Å; C477-F485 HydrophobicContact CB-CE2 4.44Å; R483-F485 HydrophobicContact CB-CE2 3.78Å; R483-F485 HydrophobicContact CB-CZ 4.13Å; F485-G490 WeakPolarHBondContact CD1-O 3.28Å; F485-W491 HydrophobicContact CB-CB 4.06Å; F485-W491 AromaticContact CD2-CE3 3.58Å; F485-W491 HydrophobicContact CD2-CE3 3.58Å; F485-W491 HydrophobicContact CD2-CZ3 4.1Å; F485-W491 HydrophobicContact CE2-CE3 4.09Å; F485-W491 HydrophobicContact CE2-CZ3 4.34Å; F485-W491 HydrophobicContact CG-CB 4.4Å; F485-W491 HydrophobicContact CG-CE3 4.23Å; F485-H494 HydrophobicContact CD1-CB 4.26Å; F485-H494 HydrophobicContact CE1-CB 3.48Å; F485-H494 VanDerWaalsContact CE1-CB 3.48Å; F485-H494 AromaticContact CE1-CG 3.88Å; F485-H494 HydrophobicContact CE2-CB 3.88Å; F485-H494 AromaticContact CE2-CD2 3.38Å; F485-H494 WeakPolarHBondContact CE2-CD2 3.23Å; F485-H494 AromaticContact CE2-CG 3.51Å; F485-H494 AromaticContact CE2-NE2 3.96Å; F485-H494 HydrophobicContact CZ-CB 3.27Å; F485-H494 AromaticContact CZ-CD2 3.53Å; F485-H494 AromaticContact CZ-CG 3.11Å; F485-H494 AromaticContact CZ-ND1 3.52Å
486	T	69.4	Low	79.5	Confident	54 Å²	54	68.1 Å²	68.1	33%	0.331	37%	0.366	S	S	.	.	S	Bend	trans	-90.6	-5	-179.6	54.5	0	0	0	0	113.4	H186	H186-T486 HydrophobicContact CB-CG2 4.25Å
487	Q	68.6	Low	80	Confident	125 Å²	125	65.3 Å²	65.3	58%	0.584	35%	0.354	S	S	*	.	S	Bend	trans	-132.4	138.9	-179.8	-64.5	-170.2	-42	0	0	110	D489 G490 W491	Q487-D489 VanDerWaalsContact C-N 3.35Å; Q487-D489 PolarHBondContact O-N 2.76Å; Q487-G490 PolarHBondContact O-N 3.46Å; Q487-G490 VanDerWaalsContact O-N 3.15Å; Q487-W491 PolarHBondContact O-N 2.72Å; Q487-W491 VanDerWaalsContact O-N 3.08Å
488	I	76.6	Confident	80.5	Confident	66 Å²	66	75.2 Å²	75.2	34%	0.338	39%	0.391	S	S	.	.	H	α-helix	trans	-59.5	-41.9	-178.9	-166.9	167.6	0	0	0	112.4	F475 G490 W491 E492	F475-I488 HydrophobicContact CE2-CB 4.14Å; F475-I488 HydrophobicContact CZ-CB 4.25Å; F475-I488 HydrophobicContact CZ-CG1 4.26Å; I488-G490 VanDerWaalsContact C-N 3.26Å; I488-G490 PolarHBondContact O-N 2.69Å; I488-W491 CarbonylContact O-C 3.58Å; I488-W491 WeakPolarHBondContact O-CA 3.47Å; I488-W491 WeakPolarHBondContact O-CB 3.36Å; I488-W491 PolarHBondContact O-N 3.15Å; I488-E492 HydrophobicContact CG1-CG 4.43Å; I488-E492 PolarHBondContact O-N 3.47Å
489	D	74.1	Confident	80.6	Confident	105 Å²	105	73.6 Å²	73.6	56%	0.561	38%	0.379	S	S	*	.	H	α-helix	trans	-56.9	-41.5	176.8	-69.4	-17.6	0	0	0	112.1	Q487 A493	Q487-D489 VanDerWaalsContact C-N 3.35Å; Q487-D489 PolarHBondContact O-N 2.76Å; D489-A493 VanDerWaalsContact O-CB 3.24Å; D489-A493 WeakPolarHBondContact O-CB 3.33Å; D489-A493 PolarHBondContact O-N 3.29Å
490	G	80.2	Confident	80.9	Confident	29 Å²	29	72.3 Å²	72.3	30%	0.299	37%	0.372	S	S	.	.	H	α-helix	trans	-68.5	-39.1	177.7	0	0	0	0	0	112.3	F485 Q487 I488 H494	F485-G490 WeakPolarHBondContact CD1-O 3.28Å; Q487-G490 PolarHBondContact O-N 3.46Å; Q487-G490 VanDerWaalsContact O-N 3.15Å; I488-G490 VanDerWaalsContact C-N 3.26Å; I488-G490 PolarHBondContact O-N 2.69Å; G490-H494 VanDerWaalsContact O-CB 3.31Å; G490-H494 WeakPolarHBondContact O-CB 3.32Å; G490-H494 PolarHBondContact O-N 3.38Å
491	W	83.6	Confident	81.4	Confident	53 Å²	53	77.2 Å²	77.2	20%	0.201	40%	0.395	C	S	.	.	H	α-helix	trans	-63.4	-49	174.1	171.4	-117.5	0	0	0	111.8	F475 C477 F485 Q487 I488 A493 H494 L495	F475-W491 HydrophobicContact CB-CB 3.98Å; F475-W491 HydrophobicContact CB-CD2 3.51Å; F475-W491 HydrophobicContact CB-CE3 3.56Å; F475-W491 HydrophobicContact CB-CG 3.68Å; F475-W491 HydrophobicContact CB-CZ3 4.15Å; F475-W491 AromaticContact CD1-CD1 3.76Å; F475-W491 HydrophobicContact CD1-CD2 4.28Å; F475-W491 AromaticContact CD1-CG 3.97Å; F475-W491 HydrophobicContact CD1-CG 3.97Å; F475-W491 AromaticContact CD1-NE1 3.95Å; F475-W491 HydrophobicContact CD2-CB 3.82Å; F475-W491 HydrophobicContact CD2-CG 4.11Å; F475-W491 HydrophobicContact CE2-CB 4.48Å; F475-W491 HydrophobicContact CG-CB 3.86Å; F475-W491 AromaticContact CG-CD1 3.92Å; F475-W491 AromaticContact CG-CD2 3.98Å; F475-W491 HydrophobicContact CG-CD2 3.98Å; F475-W491 HydrophobicContact CG-CE3 4.49Å; F475-W491 AromaticContact CG-CG 3.65Å; F475-W491 HydrophobicContact CG-CG 3.65Å; C477-W491 HydrophobicContact CB-CH2 4.22Å; C477-W491 HydrophobicContact CB-CZ3 3.74Å; F485-W491 HydrophobicContact CB-CB 4.06Å; F485-W491 AromaticContact CD2-CE3 3.58Å; F485-W491 HydrophobicContact CD2-CE3 3.58Å; F485-W491 HydrophobicContact CD2-CZ3 4.1Å; F485-W491 HydrophobicContact CE2-CE3 4.09Å; F485-W491 HydrophobicContact CE2-CZ3 4.34Å; F485-W491 HydrophobicContact CG-CB 4.4Å; F485-W491 HydrophobicContact CG-CE3 4.23Å; Q487-W491 PolarHBondContact O-N 2.72Å; Q487-W491 VanDerWaalsContact O-N 3.08Å; I488-W491 CarbonylContact O-C 3.58Å; I488-W491 WeakPolarHBondContact O-CA 3.47Å; I488-W491 WeakPolarHBondContact O-CB 3.36Å; I488-W491 PolarHBondContact O-N 3.15Å; W491-A493 PolarHBondContact O-N 3.19Å; W491-H494 WeakPolarHBondContact O-CB 3.44Å; W491-H494 PolarHBondContact O-N 3.48Å; W491-L495 HydrophobicContact CD2-CD1 4.32Å; W491-L495 HydrophobicContact CD2-CG 4.22Å; W491-L495 HydrophobicContact CH2-CD2 3.87Å; W491-L495 HydrophobicContact CH2-CG 4.47Å; W491-L495 HydrophobicContact CZ2-CD1 3.86Å; W491-L495 HydrophobicContact CZ2-CD2 3.73Å; W491-L495 HydrophobicContact CZ2-CG 4.01Å; W491-L495 HydrophobicContact CZ3-CD2 4.38Å; W491-L495 WeakPolarHBondContact O-CG 3.13Å; W491-L495 PolarHBondContact O-N 3.04Å
492	E	87	Confident	82.1	Confident	84 Å²	84	80 Å²	80	39%	0.393	39%	0.393	S	S	.	.	H	α-helix	trans	-62.6	-45	177.9	-72.2	-161.7	178.6	0	0	112.5	I488 H494 L495 K496	I488-E492 HydrophobicContact CG1-CG 4.43Å; I488-E492 PolarHBondContact O-N 3.47Å; E492-H494 PolarHBondContact O-N 2.92Å; E492-L495 PolarHBondContact O-N 3.33Å; E492-K496 WeakPolarHBondContact O-CG 2.99Å; E492-K496 PolarHBondContact O-N 3.2Å; E492-K496 IonicContact OE2-NZ 3.15Å; E492-K496 PolarHBondContact OE2-NZ 2.94Å; E492-K496 VanDerWaalsContact OE2-NZ 3.15Å
493	A	85.8	Confident	83	Confident	60 Å²	60	80.1 Å²	80.1	50%	0.496	39%	0.386	S	S	.	.	H	α-helix	trans	-60.9	-37.1	176	0	0	0	0	0	111.2	D489 W491 K496 S497	D489-A493 VanDerWaalsContact O-CB 3.24Å; D489-A493 WeakPolarHBondContact O-CB 3.33Å; D489-A493 PolarHBondContact O-N 3.29Å; W491-A493 PolarHBondContact O-N 3.19Å; A493-K496 PolarHBondContact O-N 2.7Å; A493-S497 PolarHBondContact O-N 3.29Å; A493-S497 VanDerWaalsContact O-N 3.1Å
494	H	87.7	Confident	83.6	Confident	10 Å²	10	75.1 Å²	75.1	5%	0.046	37%	0.373	C	S	.	.	H	α-helix	trans	-63.5	-48.7	173.7	172.2	61.3	0	0	0	112.5	C477 C480 F485 G490 W491 E492 K496 S497 H500	C477-H494 WeakPolarHBondContact CB-NE2 3.4Å; C477-H494 PolarHBondContact SG-NE2 3.42Å; C480-H494 PolarHBondContact SG-CE1 3.15Å; F485-H494 HydrophobicContact CD1-CB 4.26Å; F485-H494 HydrophobicContact CE1-CB 3.48Å; F485-H494 VanDerWaalsContact CE1-CB 3.48Å; F485-H494 AromaticContact CE1-CG 3.88Å; F485-H494 HydrophobicContact CE2-CB 3.88Å; F485-H494 AromaticContact CE2-CD2 3.38Å; F485-H494 WeakPolarHBondContact CE2-CD2 3.23Å; F485-H494 AromaticContact CE2-CG 3.51Å; F485-H494 AromaticContact CE2-NE2 3.96Å; F485-H494 HydrophobicContact CZ-CB 3.27Å; F485-H494 AromaticContact CZ-CD2 3.53Å; F485-H494 AromaticContact CZ-CG 3.11Å; F485-H494 AromaticContact CZ-ND1 3.52Å; G490-H494 VanDerWaalsContact O-CB 3.31Å; G490-H494 WeakPolarHBondContact O-CB 3.32Å; G490-H494 PolarHBondContact O-N 3.38Å; W491-H494 WeakPolarHBondContact O-CB 3.44Å; W491-H494 PolarHBondContact O-N 3.48Å; E492-H494 PolarHBondContact O-N 2.92Å; H494-K496 PolarHBondContact O-N 3.07Å; H494-S497 VanDerWaalsContact O-CB 3.24Å; H494-S497 WeakPolarHBondContact O-CB 3.3Å; H494-S497 PolarHBondContact O-N 3.43Å; H494-S497 PolarHBondContact O-OG 3.31Å; H494-H500 AromaticContact CD2-ND1 3.75Å; H494-H500 AromaticContact CE1-ND1 3.63Å; H494-H500 AromaticContact NE2-CE1 4Å; H494-H500 AromaticContact NE2-CG 3.89Å; H494-H500 AromaticContact NE2-ND1 3.08Å; H494-H500 PolarHBondContact NE2-ND1 3.3Å; H494-H500 WeakPolarHBondContact O-CB 3.3Å
495	L	88.4	Confident	84.5	Confident	66 Å²	66	76.5 Å²	76.5	35%	0.346	39%	0.389	S	S	.	.	H	α-helix	trans	-59.2	-36.3	178.1	-68.6	-177.9	0	0	0	112.1	W491 E492 S497 H500	W491-L495 HydrophobicContact CD2-CD1 4.32Å; W491-L495 HydrophobicContact CD2-CG 4.22Å; W491-L495 HydrophobicContact CH2-CD2 3.87Å; W491-L495 HydrophobicContact CH2-CG 4.47Å; W491-L495 HydrophobicContact CZ2-CD1 3.86Å; W491-L495 HydrophobicContact CZ2-CD2 3.73Å; W491-L495 HydrophobicContact CZ2-CG 4.01Å; W491-L495 HydrophobicContact CZ3-CD2 4.38Å; W491-L495 WeakPolarHBondContact O-CG 3.13Å; W491-L495 PolarHBondContact O-N 3.04Å; E492-L495 PolarHBondContact O-N 3.33Å; L495-S497 VanDerWaalsContact C-N 3.3Å; L495-S497 PolarHBondContact O-N 3.09Å; L495-H500 PolarHBondContact O-CD2 2.76Å
496	K	89.8	Confident	85.2	Confident	140 Å²	140	81 Å²	81	61%	0.609	41%	0.408	S	S	*	.	H	α-helix	trans	-77.4	-11.1	176.2	-66.9	166.6	-175	160.5	0	113.5	E492 A493 H494 Q501	E492-K496 WeakPolarHBondContact O-CG 2.99Å; E492-K496 PolarHBondContact O-N 3.2Å; E492-K496 IonicContact OE2-NZ 3.15Å; E492-K496 PolarHBondContact OE2-NZ 2.94Å; E492-K496 VanDerWaalsContact OE2-NZ 3.15Å; A493-K496 PolarHBondContact O-N 2.7Å; H494-K496 PolarHBondContact O-N 3.07Å; K496-Q501 PolarHBondContact O-NE2 3.49Å
497	S	90.4	Very high	86	Confident	31 Å²	31	83.8 Å²	83.8	22%	0.217	41%	0.414	C	S	.	.	S	Bend	trans	-71	141.3	-175	75.2	0	0	0	0	112.9	A493 H494 L495 S499 H500 Q501	A493-S497 PolarHBondContact O-N 3.29Å; A493-S497 VanDerWaalsContact O-N 3.1Å; H494-S497 VanDerWaalsContact O-CB 3.24Å; H494-S497 WeakPolarHBondContact O-CB 3.3Å; H494-S497 PolarHBondContact O-N 3.43Å; H494-S497 PolarHBondContact O-OG 3.31Å; L495-S497 VanDerWaalsContact C-N 3.3Å; L495-S497 PolarHBondContact O-N 3.09Å; S497-S499 PolarHBondContact O-N 2.83Å; S497-S499 VanDerWaalsContact O-N 3.14Å; S497-S499 PolarHBondContact OG-OG 3.47Å; S497-H500 PolarHBondContact O-N 2.88Å; S497-H500 VanDerWaalsContact O-N 3.14Å; S497-H500 WeakPolarHBondContact OG-CB 3.5Å; S497-H500 PolarHBondContact OG-N 2.86Å; S497-Q501 WeakPolarHBondContact O-CG 3.34Å; S497-Q501 PolarHBondContact O-N 2.97Å
498	R	91.5	Very high	86.9	Confident	211 Å²	211	84.8 Å²	84.8	80%	0.796	42%	0.416	S	S	*	.	H	α-helix	trans	-55.2	-33.5	176.1	-74	-175.4	174.8	-173.6	-1.4	112.8	K502	R498-K502 WeakPolarHBondContact O-CB 3.29Å; R498-K502 WeakPolarHBondContact O-CG 3.23Å; R498-K502 PolarHBondContact O-N 2.93Å; R498-K502 VanDerWaalsContact O-N 3.07Å
499	S	87.4	Confident	87.5	Confident	56 Å²	56	88.5 Å²	88.5	39%	0.392	43%	0.43	S	S	.	.	H	α-helix	trans	-70.9	-42.4	179.9	61.9	0	0	0	0	112	S497 R503	S497-S499 PolarHBondContact O-N 2.83Å; S497-S499 VanDerWaalsContact O-N 3.14Å; S497-S499 PolarHBondContact OG-OG 3.47Å; S499-R503 WeakPolarHBondContact O-CG 3.46Å; S499-R503 PolarHBondContact O-N 3.2Å
500	H	89.8	Confident	88.1	Confident	20 Å²	20	90.4 Å²	90.4	9%	0.093	43%	0.429	C	S	.	.	H	α-helix	trans	-61.9	-51.6	172.6	179.7	88	0	0	0	110.7	C477 C480 H494 L495 S497 K502 R503 A504	C477-H500 PolarHBondContact SG-CE1 2.95Å; C477-H500 PolarHBondContact SG-ND1 3.33Å; C477-H500 VanDerWaalsContact SG-ND1 3.41Å; C480-H500 PolarHBondContact SG-ND1 3.1Å; H494-H500 AromaticContact CD2-ND1 3.75Å; H494-H500 AromaticContact CE1-ND1 3.63Å; H494-H500 AromaticContact NE2-CE1 4Å; H494-H500 AromaticContact NE2-CG 3.89Å; H494-H500 AromaticContact NE2-ND1 3.08Å; H494-H500 PolarHBondContact NE2-ND1 3.3Å; H494-H500 WeakPolarHBondContact O-CB 3.3Å; L495-H500 PolarHBondContact O-CD2 2.76Å; S497-H500 PolarHBondContact O-N 2.88Å; S497-H500 VanDerWaalsContact O-N 3.14Å; S497-H500 WeakPolarHBondContact OG-CB 3.5Å; S497-H500 PolarHBondContact OG-N 2.86Å; H500-K502 VanDerWaalsContact C-N 3.31Å; H500-K502 PolarHBondContact O-N 2.78Å; H500-R503 PolarHBondContact O-N 3Å; H500-A504 WeakPolarHBondContact O-CB 3.46Å; H500-A504 PolarHBondContact O-N 2.73Å
501	Q	91.5	Very high	88.2	Confident	106 Å²	106	92 Å²	92	50%	0.495	43%	0.431	S	S	.	.	H	α-helix	trans	-55.1	-43.9	-179.8	-69.8	174.5	-8.4	0	0	112.5	K496 S497 A504 A505	K496-Q501 PolarHBondContact O-NE2 3.49Å; S497-Q501 WeakPolarHBondContact O-CG 3.34Å; S497-Q501 PolarHBondContact O-N 2.97Å; Q501-A504 PolarHBondContact O-N 2.74Å; Q501-A505 WeakPolarHBondContact O-CB 3.26Å; Q501-A505 PolarHBondContact O-N 2.81Å
502	K	90.9	Very high	88.4	Confident	164 Å²	164	94.6 Å²	94.6	71%	0.713	45%	0.448	S	S	*	.	H	α-helix	trans	-62	-43.4	175.5	-78.5	-176.2	178.1	-173	0	112.9	R498 H500 K506	R498-K502 WeakPolarHBondContact O-CB 3.29Å; R498-K502 WeakPolarHBondContact O-CG 3.23Å; R498-K502 PolarHBondContact O-N 2.93Å; R498-K502 VanDerWaalsContact O-N 3.07Å; H500-K502 VanDerWaalsContact C-N 3.31Å; H500-K502 PolarHBondContact O-N 2.78Å; K502-K506 PolarHBondContact O-N 3.39Å
503	R	89.3	Confident	88.4	Confident	105 Å²	105	94.7 Å²	94.7	40%	0.396	45%	0.45	S	S	.	.	H	α-helix	trans	-70.3	-40.1	178.6	-68.9	-179.7	-170.6	-179.3	1.4	111.6	I479 S499 H500 K506 Y507	I479-R503 HydrophobicContact CG2-CB 3.75Å; S499-R503 WeakPolarHBondContact O-CG 3.46Å; S499-R503 PolarHBondContact O-N 3.2Å; H500-R503 PolarHBondContact O-N 3Å; R503-K506 PolarHBondContact O-N 2.78Å; R503-Y507 WeakPolarHBondContact O-CB 3.18Å; R503-Y507 PolarHBondContact O-N 3.33Å
504	A	88.2	Confident	88.3	Confident	24 Å²	24	97.2 Å²	97.2	20%	0.198	45%	0.451	C	S	.	.	H	α-helix	trans	-62.4	-42.1	176.7	0	0	0	0	0	111.8	I479 H500 Q501 Y507 K508	I479-A504 HydrophobicContact CD1-CB 3.89Å; I479-A504 HydrophobicContact CG2-CB 4.19Å; H500-A504 WeakPolarHBondContact O-CB 3.46Å; H500-A504 PolarHBondContact O-N 2.73Å; Q501-A504 PolarHBondContact O-N 2.74Å; A504-Y507 PolarHBondContact O-N 2.84Å; A504-K508 WeakPolarHBondContact O-CB 3.3Å; A504-K508 PolarHBondContact O-N 3.18Å
505	A	90	Very high	88.1	Confident	61 Å²	61	103.3 Å²	103.3	50%	0.504	48%	0.478	S	S	.	.	H	α-helix	trans	-61.3	-44.5	173.5	0	0	0	0	0	112.2	Q501 K508 K509	Q501-A505 WeakPolarHBondContact O-CB 3.26Å; Q501-A505 PolarHBondContact O-N 2.81Å; A505-K508 PolarHBondContact O-N 2.89Å; A505-K509 PolarHBondContact O-N 3.44Å
506	K	89.4	Confident	88	Confident	130 Å²	130	102.6 Å²	102.6	57%	0.565	48%	0.481	S	S	*	.	H	α-helix	trans	-64.4	-39.7	176.4	-170.3	174.8	-178.2	176.2	0	112.1	K502 R503 K509 R510	K502-K506 PolarHBondContact O-N 3.39Å; R503-K506 PolarHBondContact O-N 2.78Å; K506-K509 PolarHBondContact O-N 3.04Å; K506-R510 PolarHBondContact O-N 3.43Å
507	Y	86.6	Confident	87.8	Confident	113 Å²	113	101.8 Å²	101.8	44%	0.443	48%	0.481	S	S	.	.	H	α-helix	trans	-64.6	-46.7	176.1	-177.3	-106	0	0	0	111.7	I479 R503 A504 K509 R510 L511	I479-Y507 HydrophobicContact CD1-CD1 4.3Å; I479-Y507 HydrophobicContact CG1-CD1 4.08Å; I479-Y507 HydrophobicContact CG1-CG 4.37Å; R503-Y507 WeakPolarHBondContact O-CB 3.18Å; R503-Y507 PolarHBondContact O-N 3.33Å; A504-Y507 PolarHBondContact O-N 2.84Å; Y507-K509 VanDerWaalsContact C-N 3.31Å; Y507-K509 PolarHBondContact O-N 3.2Å; Y507-R510 PolarHBondContact O-N 3.04Å; Y507-R510 VanDerWaalsContact O-N 3.14Å; Y507-L511 HydrophobicContact CD1-CD1 3.78Å; Y507-L511 HydrophobicContact CE1-CD1 3.3Å; Y507-L511 HydrophobicContact CE1-CG 4.22Å; Y507-L511 PolarHBondContact O-N 3.15Å
508	K	87.9	Confident	87.3	Confident	147 Å²	147	107.5 Å²	107.5	64%	0.639	50%	0.502	S	S	*	.	H	α-helix	trans	-59	-40.7	174.7	-169.2	175.9	-177.6	178.3	0	112	A504 A505 L511 L512	A504-K508 WeakPolarHBondContact O-CB 3.3Å; A504-K508 PolarHBondContact O-N 3.18Å; A505-K508 PolarHBondContact O-N 2.89Å; K508-L511 PolarHBondContact O-N 3.48Å; K508-L512 WeakPolarHBondContact O-CG 3.47Å; K508-L512 PolarHBondContact O-N 2.86Å; K508-L512 VanDerWaalsContact O-N 3.08Å
509	K	88.5	Confident	86.8	Confident	144 Å²	144	103.1 Å²	103.1	63%	0.626	50%	0.495	S	S	*	.	H	α-helix	trans	-62.9	-42.2	175.2	-171.7	174.6	-179.2	176.7	0	112.2	A505 K506 Y507 L512 I513	A505-K509 PolarHBondContact O-N 3.44Å; K506-K509 PolarHBondContact O-N 3.04Å; Y507-K509 VanDerWaalsContact C-N 3.31Å; Y507-K509 PolarHBondContact O-N 3.2Å; K509-L512 PolarHBondContact O-N 3.25Å; K509-I513 HydrophobicContact CG-CD1 4.21Å; K509-I513 WeakPolarHBondContact O-CG1 3.4Å; K509-I513 PolarHBondContact O-N 3.11Å; K509-I513 VanDerWaalsContact O-N 3.08Å
510	R	86.1	Confident	86.2	Confident	145 Å²	145	107.6 Å²	107.6	55%	0.547	51%	0.513	S	S	.	.	H	α-helix	trans	-63.3	-45.7	176	-75.1	177.8	174.1	-178.3	-5.7	112.2	K506 Y507 L512 I513 E514	K506-R510 PolarHBondContact O-N 3.43Å; Y507-R510 PolarHBondContact O-N 3.04Å; Y507-R510 VanDerWaalsContact O-N 3.14Å; R510-L512 VanDerWaalsContact C-N 3.27Å; R510-L512 PolarHBondContact O-N 3.11Å; R510-I513 PolarHBondContact O-N 3.38Å; R510-I513 VanDerWaalsContact O-N 3.1Å; R510-E514 PolarHBondContact O-N 2.97Å
511	L	83.5	Confident	85.1	Confident	63 Å²	63	111.6 Å²	111.6	33%	0.33	54%	0.543	S	S	.	.	H	α-helix	trans	-58.7	-38	175.7	-84.7	166.2	0	0	0	112.7	Y507 K508 K515	Y507-L511 HydrophobicContact CD1-CD1 3.78Å; Y507-L511 HydrophobicContact CE1-CD1 3.3Å; Y507-L511 HydrophobicContact CE1-CG 4.22Å; Y507-L511 PolarHBondContact O-N 3.15Å; K508-L511 PolarHBondContact O-N 3.48Å; L511-K515 WeakPolarHBondContact O-CB 3.4Å; L511-K515 WeakPolarHBondContact O-CG 3.34Å; L511-K515 PolarHBondContact O-N 3.28Å
512	L	87.2	Confident	83.5	Confident	107 Å²	107	113.1 Å²	113.1	56%	0.56	57%	0.566	S	S	*	*	H	α-helix	trans	-67.2	-40.4	175.2	-72.1	169	0	0	0	112	K508 K509 R510 K515 A516	K508-L512 WeakPolarHBondContact O-CG 3.47Å; K508-L512 PolarHBondContact O-N 2.86Å; K508-L512 VanDerWaalsContact O-N 3.08Å; K509-L512 PolarHBondContact O-N 3.25Å; R510-L512 VanDerWaalsContact C-N 3.27Å; R510-L512 PolarHBondContact O-N 3.11Å; L512-K515 PolarHBondContact O-N 2.7Å; L512-A516 WeakPolarHBondContact O-CB 2.98Å; L512-A516 PolarHBondContact O-N 3.05Å
513	I	86.3	Confident	83.1	Confident	86 Å²	86	110.6 Å²	110.6	44%	0.441	56%	0.558	S	S	.	*	H	α-helix	trans	-65.3	-46	175.8	-66.3	165.2	0	0	0	110.5	K509 R510 K515 A516 M517	K509-I513 HydrophobicContact CG-CD1 4.21Å; K509-I513 WeakPolarHBondContact O-CG1 3.4Å; K509-I513 PolarHBondContact O-N 3.11Å; K509-I513 VanDerWaalsContact O-N 3.08Å; R510-I513 PolarHBondContact O-N 3.38Å; R510-I513 VanDerWaalsContact O-N 3.1Å; I513-K515 VanDerWaalsContact C-N 3.34Å; I513-K515 PolarHBondContact O-N 3.46Å; I513-A516 PolarHBondContact O-N 3.32Å; I513-A516 VanDerWaalsContact O-N 3.16Å; I513-M517 HydrophobicContact CG2-CG 4.31Å; I513-M517 HydrophobicContact CG2-SD 4.04Å; I513-M517 WeakPolarHBondContact O-CG 3.37Å; I513-M517 PolarHBondContact O-N 3.15Å
514	E	83.7	Confident	82.8	Confident	112 Å²	112	110.8 Å²	110.8	52%	0.523	57%	0.567	S	S	.	*	H	α-helix	trans	-61.5	-40.3	177.3	-75.6	173.6	-173.1	0	0	112.3	R510 M517 K518	R510-E514 PolarHBondContact O-N 2.97Å; E514-M517 PolarHBondContact O-N 3.33Å; E514-K518 WeakPolarHBondContact O-CG 3.43Å; E514-K518 PolarHBondContact O-N 3.11Å
515	K	85.1	Confident	82.5	Confident	139 Å²	139	115.7 Å²	115.7	60%	0.604	59%	0.587	S	S	*	*	H	α-helix	trans	-63.4	-42.8	172.9	-77.8	-176.7	178.8	-171.5	0	111.9	L511 L512 I513 K518 N519	L511-K515 WeakPolarHBondContact O-CB 3.4Å; L511-K515 WeakPolarHBondContact O-CG 3.34Å; L511-K515 PolarHBondContact O-N 3.28Å; L512-K515 PolarHBondContact O-N 2.7Å; I513-K515 VanDerWaalsContact C-N 3.34Å; I513-K515 PolarHBondContact O-N 3.46Å; K515-K518 PolarHBondContact O-N 2.91Å; K515-N519 VanDerWaalsContact O-CG 3.25Å; K515-N519 PolarHBondContact O-N 3.23Å; K515-N519 VanDerWaalsContact O-N 3.09Å; K515-N519 PolarHBondContact O-OD1 3.39Å
516	A	86.2	Confident	82	Confident	50 Å²	50	118.9 Å²	118.9	41%	0.413	59%	0.592	S	S	.	*	H	α-helix	trans	-64.4	-40	176.7	0	0	0	0	0	112.1	L512 I513 N519 L520	L512-A516 WeakPolarHBondContact O-CB 2.98Å; L512-A516 PolarHBondContact O-N 3.05Å; I513-A516 PolarHBondContact O-N 3.32Å; I513-A516 VanDerWaalsContact O-N 3.16Å; A516-N519 PolarHBondContact O-N 3.28Å; A516-L520 WeakPolarHBondContact O-CD1 3.49Å; A516-L520 WeakPolarHBondContact O-CG 3.28Å; A516-L520 PolarHBondContact O-N 3.18Å; A516-L520 VanDerWaalsContact O-N 3.15Å
517	M	84	Confident	81.5	Confident	124 Å²	124	118.2 Å²	118.2	61%	0.611	59%	0.594	S	S	*	*	H	α-helix	trans	-67.2	-40	176.9	-69.3	-177	83.9	0	0	112.2	I513 E514 N519 L520 S521	I513-M517 HydrophobicContact CG2-CG 4.31Å; I513-M517 HydrophobicContact CG2-SD 4.04Å; I513-M517 WeakPolarHBondContact O-CG 3.37Å; I513-M517 PolarHBondContact O-N 3.15Å; E514-M517 PolarHBondContact O-N 3.33Å; M517-N519 VanDerWaalsContact C-N 3.33Å; M517-N519 PolarHBondContact O-N 2.95Å; M517-L520 PolarHBondContact O-N 3.13Å; M517-S521 PolarHBondContact O-N 3.41Å; M517-S521 VanDerWaalsContact O-N 3.15Å; M517-S521 PolarHBondContact O-OG 3.02Å
518	K	81	Confident	81.2	Confident	150 Å²	150	118.5 Å²	118.5	65%	0.652	60%	0.604	S	S	*	*	H	α-helix	trans	-62.9	-39.4	175	-77.8	-176.2	178.7	-176	0	112.4	E514 K515 L520 S521 S522	E514-K518 WeakPolarHBondContact O-CG 3.43Å; E514-K518 PolarHBondContact O-N 3.11Å; K515-K518 PolarHBondContact O-N 2.91Å; K518-L520 VanDerWaalsContact C-N 3.26Å; K518-L520 PolarHBondContact O-N 3.39Å; K518-S521 WeakPolarHBondContact CA-OG 2.81Å; K518-S521 PolarHBondContact O-N 3.36Å; K518-S521 PolarHBondContact O-OG 3.12Å; K518-S522 PolarHBondContact O-N 3.4Å; K518-S522 PolarHBondContact O-OG 3.1Å
519	N	79.5	Confident	80.7	Confident	120 Å²	120	116.5 Å²	116.5	64%	0.642	60%	0.602	S	S	*	*	H	α-helix	trans	-72.3	-16.4	176.9	-67.8	-5.2	0	0	0	113.6	K515 A516 M517 S522	K515-N519 VanDerWaalsContact O-CG 3.25Å; K515-N519 PolarHBondContact O-N 3.23Å; K515-N519 VanDerWaalsContact O-N 3.09Å; K515-N519 PolarHBondContact O-OD1 3.39Å; A516-N519 PolarHBondContact O-N 3.28Å; M517-N519 VanDerWaalsContact C-N 3.33Å; M517-N519 PolarHBondContact O-N 2.95Å; N519-S522 PolarHBondContact O-OG 3.2Å
520	L	75.5	Confident	80.1	Confident	149 Å²	149	114.4 Å²	114.4	78%	0.78	60%	0.6	S	S	*	*	H	α-helix	trans	-89.4	-21.5	173.7	-78.5	159.4	0	0	0	112.5	A516 M517 K518	A516-L520 WeakPolarHBondContact O-CD1 3.49Å; A516-L520 WeakPolarHBondContact O-CG 3.28Å; A516-L520 PolarHBondContact O-N 3.18Å; A516-L520 VanDerWaalsContact O-N 3.15Å; M517-L520 PolarHBondContact O-N 3.13Å; K518-L520 VanDerWaalsContact C-N 3.26Å; K518-L520 PolarHBondContact O-N 3.39Å
521	S	66.9	Low	79.6	Confident	104 Å²	104	111.8 Å²	111.8	73%	0.727	60%	0.604	S	S	*	*	H	α-helix	trans	-90	-9.9	176.6	56.7	0	0	0	0	114.1	M517 K518	M517-S521 PolarHBondContact O-N 3.41Å; M517-S521 VanDerWaalsContact O-N 3.15Å; M517-S521 PolarHBondContact O-OG 3.02Å; K518-S521 WeakPolarHBondContact CA-OG 2.81Å; K518-S521 PolarHBondContact O-N 3.36Å; K518-S521 PolarHBondContact O-OG 3.12Å
522	S	56.8	Low	79.3	Confident	138 Å²	138	116.3 Å²	116.3	97%	0.965	63%	0.629	S	S	*	*			trans	-98.3	0	169.4	58.4	0	0	0	0	109.8	K518 N519	K518-S522 PolarHBondContact O-N 3.4Å; K518-S522 PolarHBondContact O-OG 3.1Å; N519-S522 PolarHBondContact O-OG 3.2Å

Retrieved 522 of 522 residues in 177.3 ms (Link to these results)

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