G4V7L5_SCHMA Loading...

Putative DNA polymerase delta small subunit

AlphaFold DB , UniProt , Accession G4V7L5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 537 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	35.8	Very low	33.2	Very low	235 Å²	235	133.7 Å²	133.7	100%	1.158	74%	0.737	S	S	*	*				0	107.1	0	-78.9	173.1	178.4	0	0	107	V3	M1-V3 PolarHBondContact O-N 2.71Å
2	T	30	Very low	35	Very low	146 Å²	146	137 Å²	137	90%	0.896	73%	0.732	S	S	*	*			trans	-62.6	105.5	165.6	21	0	0	0	0	106.4	S4	T2-S4 PolarHBondContact O-N 3.11Å
3	V	32	Very low	36.9	Very low	134 Å²	134	131.8 Å²	131.8	81%	0.812	70%	0.703	S	S	*	*			trans	-66.9	92.3	167.9	-177.7	0	0	0	0	104.8	M1 S5	M1-V3 PolarHBondContact O-N 2.71Å; V3-S5 PolarHBondContact O-N 3.47Å
4	S	28.7	Very low	39.4	Very low	94 Å²	94	124 Å²	124	66%	0.657	66%	0.664	S	S	*	*			trans	-51.2	109	163.8	47.4	0	0	0	0	106.3	T2 I6	T2-S4 PolarHBondContact O-N 3.11Å; S4-I6 VanDerWaalsContact C-N 3.33Å; S4-I6 PolarHBondContact O-N 3.04Å
5	S	29.1	Very low	42.4	Very low	109 Å²	109	120.9 Å²	120.9	76%	0.762	66%	0.656	S	S	*	*			trans	-48.6	102.8	166.8	51.8	0	0	0	0	107	V3 V7	V3-S5 PolarHBondContact O-N 3.47Å; S5-V7 PolarHBondContact O-N 3.41Å
6	I	29.9	Very low	45.3	Very low	148 Å²	148	115.8 Å²	115.8	76%	0.759	62%	0.624	S	S	*	*			trans	-60.4	115.2	171.4	-67.3	169.9	0	0	0	104.4	S4 E8	S4-I6 VanDerWaalsContact C-N 3.33Å; S4-I6 PolarHBondContact O-N 3.04Å; I6-E8 PolarHBondContact O-N 3.37Å; I6-E8 VanDerWaalsContact O-N 3.14Å
7	V	28.5	Very low	48.3	Very low	115 Å²	115	109.1 Å²	109.1	70%	0.697	59%	0.588	S	S	*	*			trans	-32.7	114.2	176.7	177.8	0	0	0	0	109.7	S5 H9	S5-V7 PolarHBondContact O-N 3.41Å; V7-H9 PolarHBondContact O-N 3.47Å; V7-H9 VanDerWaalsContact O-N 3.07Å
8	E	28.7	Very low	50.7	Low	177 Å²	177	109.1 Å²	109.1	83%	0.827	58%	0.583	S	S	*	*			trans	-50.3	116.9	170.3	-73.1	177.6	154.5	0	0	108	I6 N10	I6-E8 PolarHBondContact O-N 3.37Å; I6-E8 VanDerWaalsContact O-N 3.14Å; E8-N10 PolarHBondContact O-N 3.02Å; E8-N10 VanDerWaalsContact O-N 3.13Å
9	H	35.6	Very low	52.9	Low	123 Å²	123	104.4 Å²	104.4	57%	0.569	56%	0.559	S	S	*	*			trans	-51.7	123.1	175.7	-72.8	31.1	0	0	0	108.6	V7 H11	V7-H9 PolarHBondContact O-N 3.47Å; V7-H9 VanDerWaalsContact O-N 3.07Å; H9-H11 PolarHBondContact O-N 3.23Å
10	N	39	Very low	54.6	Low	122 Å²	122	103.3 Å²	103.3	65%	0.652	56%	0.556	S	S	*	*			trans	-55.9	77	179.3	-72.4	-37.6	0	0	0	112.3	E8 Y12	E8-N10 PolarHBondContact O-N 3.02Å; E8-N10 VanDerWaalsContact O-N 3.13Å; N10-Y12 PolarHBondContact O-N 3.1Å
11	H	48.3	Very low	56.1	Low	68 Å²	68	103.4 Å²	103.4	32%	0.315	56%	0.563	S	S	.	*			trans	-89.8	80.4	168.7	-124.6	80.6	0	0	0	107.3	H9 I13 F387	H9-H11 PolarHBondContact O-N 3.23Å; H11-I13 PolarHBondContact O-N 2.69Å; H11-F387 AromaticContact NE2-CD2 3.91Å
12	Y	54	Low	58.4	Low	173 Å²	173	99.7 Å²	99.7	68%	0.678	55%	0.547	S	S	*	.			trans	-76.8	111.6	171.5	-173.2	-97.7	0	0	0	108.7	N10	N10-Y12 PolarHBondContact O-N 3.1Å
13	I	59.9	Low	61	Low	70 Å²	70	94.2 Å²	94.2	36%	0.359	52%	0.515	S	S	.	.	B	Isolated β-bridge	trans	-90.3	119.2	178.6	-63.3	160.5	0	0	0	108.3	H11 S15 R381 Y385	H11-I13 PolarHBondContact O-N 2.69Å; I13-S15 PolarHBondContact O-N 2.7Å; I13-R381 VanDerWaalsContact CD1-NH1 3.34Å; I13-Y385 HydrophobicContact CG2-CE2 4.43Å
14	C	71.8	Confident	63.5	Low	22 Å²	22	90.1 Å²	90.1	15%	0.149	49%	0.486	C	S	.	.			trans	-76.9	118.6	174	-167	0	0	0	0	110.1	R16 S386	C14-R16 PolarHBondContact O-N 2.77Å; C14-R16 WeakPolarHBondContact SG-CB 3.47Å; C14-S386 WeakPolarHBondContact CB-O 3.44Å; C14-S386 PolarHBondContact N-O 3.07Å
15	S	84.2	Confident	66.2	Low	78 Å²	78	87.2 Å²	87.2	55%	0.545	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-81.6	6.2	176.3	56.9	0	0	0	0	113.9	I13 F17 Q18	I13-S15 PolarHBondContact O-N 2.7Å; S15-F17 PolarHBondContact O-N 2.91Å; S15-F17 VanDerWaalsContact O-N 3.12Å; S15-Q18 WeakPolarHBondContact O-CB 3.33Å; S15-Q18 PolarHBondContact O-N 2.79Å
16	R	89.9	Confident	69	Low	39 Å²	39	87.9 Å²	87.9	15%	0.147	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-52.9	-35.7	-174.4	173.5	177.4	170.1	-162.6	-7.5	114.6	C14 P445 L447 D462	C14-R16 PolarHBondContact O-N 2.77Å; C14-R16 WeakPolarHBondContact SG-CB 3.47Å; R16-P445 PolarHBondContact NE-O 3.13Å; R16-P445 PolarHBondContact NH2-O 3.43Å; R16-L447 PolarHBondContact NH2-O 2.91Å; R16-D462 IonicContact CZ-OD2 3.59Å; R16-D462 IonicContact NH1-OD1 3.71Å; R16-D462 PolarHBondContact NH1-OD1 2.9Å; R16-D462 IonicContact NH1-OD2 3.01Å; R16-D462 PolarHBondContact NH1-OD2 3.32Å
17	F	94.9	Very high	71.7	Confident	1 Å²	1	88.7 Å²	88.7	0%	0.004	46%	0.461	C	S	.	.	G	3₁₀ helix	trans	-98.1	2.4	-176.5	-57.4	-63.2	0	0	0	113.3	S15 V19 P354 Q356 T382 P384 L395 L427 P445 L446	S15-F17 PolarHBondContact O-N 2.91Å; S15-F17 VanDerWaalsContact O-N 3.12Å; F17-V19 PolarHBondContact O-N 3.36Å; F17-P354 HydrophobicContact CB-CB 3.81Å; F17-P354 HydrophobicContact CB-CG 4.2Å; F17-P354 HydrophobicContact CD1-CB 4.12Å; F17-P354 HydrophobicContact CD1-CG 3.9Å; F17-P354 HydrophobicContact CG-CB 4.38Å; F17-Q356 PolarHBondContact O-NE2 3.34Å; F17-T382 HydrophobicContact CB-CG2 4.18Å; F17-T382 WeakPolarHBondContact CB-OG1 3.48Å; F17-T382 WeakPolarHBondContact O-CG2 3.44Å; F17-P384 WeakPolarHBondContact CB-O 3.34Å; F17-P384 HydrophobicContact CD1-CB 4.44Å; F17-P384 HydrophobicContact CD1-CG 4.44Å; F17-P384 HydrophobicContact CD2-CB 4.18Å; F17-P384 WeakPolarHBondContact CD2-O 3.39Å; F17-P384 HydrophobicContact CE1-CB 4.15Å; F17-P384 HydrophobicContact CE1-CG 4.13Å; F17-P384 HydrophobicContact CE2-CB 3.87Å; F17-P384 HydrophobicContact CG-CB 4.46Å; F17-P384 WeakPolarHBondContact CG-O 3.42Å; F17-P384 HydrophobicContact CZ-CB 3.86Å; F17-P384 HydrophobicContact CZ-CG 4.28Å; F17-L395 HydrophobicContact CE2-CD1 4.4Å; F17-L427 HydrophobicContact CE1-CD1 4.13Å; F17-L427 HydrophobicContact CZ-CD1 3.76Å; F17-P445 HydrophobicContact CD1-CB 4.45Å; F17-P445 VanDerWaalsContact CE1-O 3.26Å; F17-P445 WeakPolarHBondContact CE1-O 3.43Å; F17-L446 HydrophobicContact CD1-CD2 4.42Å; F17-L446 HydrophobicContact CE1-CD2 4.18Å
18	Q	93.2	Very high	74.2	Confident	109 Å²	109	87.9 Å²	87.9	51%	0.509	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-79	119.7	175.2	-67.2	-177.6	-6.6	0	0	109.7	S15 T382	S15-Q18 WeakPolarHBondContact O-CB 3.33Å; S15-Q18 PolarHBondContact O-N 2.79Å; Q18-T382 HydrophobicContact CG-CG2 4.03Å
19	V	91.4	Very high	76.9	Confident	20 Å²	20	86.6 Å²	86.6	12%	0.121	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-96.7	116.8	-179.1	178.1	0	0	0	0	108.6	F17 S23 F24 Q356 Y438	F17-V19 PolarHBondContact O-N 3.36Å; V19-S23 WeakPolarHBondContact CG1-OG 3.37Å; V19-F24 HydrophobicContact CG1-CD1 3.39Å; V19-F24 HydrophobicContact CG1-CE1 3.7Å; V19-F24 HydrophobicContact CG1-CG 4.44Å; V19-Q356 VanDerWaalsContact N-OE1 3.13Å; V19-Y438 HydrophobicContact CB-CD2 4.44Å; V19-Y438 HydrophobicContact CB-CE2 4.35Å; V19-Y438 HydrophobicContact CG1-CD1 3.86Å; V19-Y438 HydrophobicContact CG1-CD2 4.21Å; V19-Y438 HydrophobicContact CG1-CE1 4.02Å; V19-Y438 HydrophobicContact CG1-CE2 4.39Å; V19-Y438 HydrophobicContact CG1-CG 3.96Å; V19-Y438 HydrophobicContact CG2-CD2 3.81Å; V19-Y438 HydrophobicContact CG2-CE2 3.95Å; V19-Y438 HydrophobicContact CG2-CG 4.31Å
20	T	88	Confident	79.2	Confident	82 Å²	82	85.2 Å²	85.2	50%	0.503	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-86.2	149	176.4	61.9	0	0	0	0	110.7	N22 S23 F24	T20-N22 PolarHBondContact O-N 3.36Å; T20-S23 PolarHBondContact N-OG 3.5Å; T20-S23 WeakPolarHBondContact O-CB 3.48Å; T20-S23 PolarHBondContact O-N 3.28Å; T20-S23 PolarHBondContact O-OG 2.83Å; T20-F24 WeakPolarHBondContact O-CD1 3.35Å
21	P	84.2	Confident	81.4	Confident	107 Å²	107	83 Å²	83	70%	0.695	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-27.7	-179.4	-28.7	35.8	0	0	0	115.1
22	N	84.7	Confident	83.3	Confident	156 Å²	156	83.7 Å²	83.7	83%	0.834	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-8.8	-179.8	-62.7	-18.9	0	0	0	113.6	T20	T20-N22 PolarHBondContact O-N 3.36Å
23	S	84.4	Confident	85	Confident	31 Å²	31	75.7 Å²	75.7	22%	0.217	39%	0.394	C	S	.	.	S	Bend	trans	-83.1	-16.6	-175.1	66	0	0	0	0	114	V19 T20	V19-S23 WeakPolarHBondContact CG1-OG 3.37Å; T20-S23 PolarHBondContact N-OG 3.5Å; T20-S23 WeakPolarHBondContact O-CB 3.48Å; T20-S23 PolarHBondContact O-N 3.28Å; T20-S23 PolarHBondContact O-OG 2.83Å
24	F	84.5	Confident	86.6	Confident	48 Å²	48	74.7 Å²	74.7	21%	0.211	39%	0.386	C	S	.	.			trans	-132.4	161	-177.8	67.7	-88	0	0	0	111.9	V19 T20 F26 Y438 P439	V19-F24 HydrophobicContact CG1-CD1 3.39Å; V19-F24 HydrophobicContact CG1-CE1 3.7Å; V19-F24 HydrophobicContact CG1-CG 4.44Å; T20-F24 WeakPolarHBondContact O-CD1 3.35Å; F24-F26 HydrophobicContact CD2-CD2 4.25Å; F24-F26 AromaticContact CD2-CE2 3.88Å; F24-F26 HydrophobicContact CD2-CE2 3.88Å; F24-F26 HydrophobicContact CD2-CZ 4.16Å; F24-F26 HydrophobicContact CE2-CD2 4.06Å; F24-F26 AromaticContact CE2-CE2 3.46Å; F24-F26 HydrophobicContact CE2-CE2 3.46Å; F24-F26 VanDerWaalsContact CE2-CE2 3.46Å; F24-F26 AromaticContact CE2-CZ 3.99Å; F24-F26 HydrophobicContact CE2-CZ 3.99Å; F24-Y438 HydrophobicContact CB-CD1 4.34Å; F24-Y438 AromaticContact CD1-CD1 3.82Å; F24-Y438 HydrophobicContact CD1-CD1 3.82Å; F24-Y438 HydrophobicContact CD1-CE1 4.3Å; F24-Y438 HydrophobicContact CD2-CD1 4.04Å; F24-Y438 HydrophobicContact CE1-CD1 4.08Å; F24-Y438 HydrophobicContact CE1-CE1 4.09Å; F24-Y438 HydrophobicContact CE2-CD1 4.31Å; F24-Y438 HydrophobicContact CE2-CE1 4.48Å; F24-Y438 AromaticContact CG-CD1 3.8Å; F24-Y438 HydrophobicContact CG-CD1 3.8Å; F24-Y438 HydrophobicContact CZ-CD1 4.32Å; F24-Y438 HydrophobicContact CZ-CE1 4.19Å; F24-P439 HydrophobicContact CB-CG 4.44Å
25	S	86.6	Confident	87.6	Confident	33 Å²	33	76 Å²	76	23%	0.231	39%	0.391	C	S	.	.			trans	-152.1	123.7	169.1	174	0	0	0	0	110	N27 R28 P439	S25-N27 PolarHBondContact O-N 3.12Å; S25-N27 PolarHBondContact OG-N 3.16Å; S25-R28 WeakPolarHBondContact O-CB 3.43Å; S25-R28 PolarHBondContact O-N 3.49Å; S25-R28 VanDerWaalsContact O-N 3.11Å; S25-P439 VanDerWaalsContact O-CG 3.22Å; S25-P439 WeakPolarHBondContact O-CG 3.4Å
26	F	87.2	Confident	88	Confident	124 Å²	124	72.9 Å²	72.9	54%	0.544	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-7.3	178.2	-64.8	-69.6	0	0	0	113.9	F24 R28 L352 P439	F24-F26 HydrophobicContact CD2-CD2 4.25Å; F24-F26 AromaticContact CD2-CE2 3.88Å; F24-F26 HydrophobicContact CD2-CE2 3.88Å; F24-F26 HydrophobicContact CD2-CZ 4.16Å; F24-F26 HydrophobicContact CE2-CD2 4.06Å; F24-F26 AromaticContact CE2-CE2 3.46Å; F24-F26 HydrophobicContact CE2-CE2 3.46Å; F24-F26 VanDerWaalsContact CE2-CE2 3.46Å; F24-F26 AromaticContact CE2-CZ 3.99Å; F24-F26 HydrophobicContact CE2-CZ 3.99Å; F26-R28 PolarHBondContact O-N 3.31Å; F26-L352 HydrophobicContact CE1-CD1 3.86Å; F26-L352 HydrophobicContact CZ-CD1 3.63Å; F26-P439 HydrophobicContact CD1-CG 3.82Å; F26-P439 HydrophobicContact CE1-CG 4.18Å; F26-P439 HydrophobicContact CG-CG 4.41Å
27	N	86.7	Confident	88.3	Confident	164 Å²	164	71.1 Å²	71.1	88%	0.877	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-3.8	170.7	-63.1	-32	0	0	0	112.5	S25	S25-N27 PolarHBondContact O-N 3.12Å; S25-N27 PolarHBondContact OG-N 3.16Å
28	R	81.9	Confident	88.4	Confident	99 Å²	99	71.2 Å²	71.2	37%	0.374	36%	0.364	S	S	.	.	S	Bend	trans	-98.5	153.5	-177.6	-61.8	176.2	178	162	-0.3	111.4	S25 F26	S25-R28 WeakPolarHBondContact O-CB 3.43Å; S25-R28 PolarHBondContact O-N 3.49Å; S25-R28 VanDerWaalsContact O-N 3.11Å; F26-R28 PolarHBondContact O-N 3.31Å
29	Q	83.7	Confident	88.5	Confident	150 Å²	150	70.5 Å²	70.5	70%	0.701	37%	0.367	S	S	*	.			trans	-79.8	147.5	172	-64.8	178.3	-3.4	0	0	111.2	T31	Q29-T31 VanDerWaalsContact C-N 3.29Å; Q29-T31 PolarHBondContact O-N 3.49Å
30	Y	85.1	Confident	88.6	Confident	93 Å²	93	72.2 Å²	72.2	37%	0.365	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-16.1	-179.1	-75.4	-81.9	0	0	0	114.1	Q32 I33 P432 G437 P439	Y30-Q32 PolarHBondContact O-N 3.39Å; Y30-I33 VanDerWaalsContact O-CG2 3.22Å; Y30-I33 WeakPolarHBondContact O-CG2 3.45Å; Y30-I33 PolarHBondContact O-N 3.44Å; Y30-P432 HydrophobicContact CD1-CB 3.72Å; Y30-P432 HydrophobicContact CD1-CG 3.6Å; Y30-P432 HydrophobicContact CE1-CB 4.01Å; Y30-P432 HydrophobicContact CE1-CG 4.38Å; Y30-P432 HydrophobicContact CG-CB 4.49Å; Y30-P432 HydrophobicContact CG-CG 4.12Å; Y30-G437 WeakPolarHBondContact CE1-O 3.43Å; Y30-G437 PolarHBondContact OH-O 3.45Å; Y30-P439 HydrophobicContact CD1-CB 4.2Å; Y30-P439 HydrophobicContact CE1-CB 3.87Å; Y30-P439 HydrophobicContact CE1-CG 4.45Å
31	T	85.1	Confident	89	Confident	77 Å²	77	68.4 Å²	68.4	47%	0.472	36%	0.36	S	S	.	.	H	α-helix	trans	-51.4	-33.1	178.1	-49.5	0	0	0	0	113.2	Q29 I33 Y34 L35	Q29-T31 VanDerWaalsContact C-N 3.29Å; Q29-T31 PolarHBondContact O-N 3.49Å; T31-I33 PolarHBondContact O-N 3.44Å; T31-Y34 PolarHBondContact O-N 2.9Å; T31-L35 PolarHBondContact O-N 3.45Å
32	Q	87.3	Confident	89.6	Confident	81 Å²	81	65.9 Å²	65.9	38%	0.379	34%	0.338	S	S	.	.	H	α-helix	trans	-62.6	-27.3	-178.5	-61.8	-60.8	-41.9	0	0	113.5	Y30 A36 I441	Y30-Q32 PolarHBondContact O-N 3.39Å; Q32-A36 WeakPolarHBondContact O-CB 3.48Å; Q32-A36 PolarHBondContact O-N 3.48Å; Q32-I441 HydrophobicContact CB-CB 4.35Å; Q32-I441 HydrophobicContact CB-CG2 3.92Å; Q32-I441 HydrophobicContact CG-CG2 4.21Å
33	I	90.8	Very high	90.1	Very high	6 Å²	6	61.4 Å²	61.4	3%	0.031	32%	0.317	C	S	.	.	H	α-helix	trans	-72.4	-37.4	178.2	-153.3	178.3	0	0	0	111.7	Y30 T31 A36 R37 P432 D444	Y30-I33 VanDerWaalsContact O-CG2 3.22Å; Y30-I33 WeakPolarHBondContact O-CG2 3.45Å; Y30-I33 PolarHBondContact O-N 3.44Å; T31-I33 PolarHBondContact O-N 3.44Å; I33-A36 PolarHBondContact O-N 3.41Å; I33-R37 WeakPolarHBondContact O-CB 3.33Å; I33-R37 PolarHBondContact O-N 3.3Å; I33-P432 VanDerWaalsContact CG2-CD 3.49Å; I33-P432 HydrophobicContact CG2-CG 3.77Å; I33-D444 HydrophobicContact CG1-CB 4.33Å
34	Y	93	Very high	90.7	Very high	48 Å²	48	60.2 Å²	60.2	19%	0.188	31%	0.309	C	S	.	.	H	α-helix	trans	-68	-39	175.6	-66.4	-67.3	0	0	0	111	T31 R37 L38 T84 P432 D433	T31-Y34 PolarHBondContact O-N 2.9Å; Y34-R37 WeakPolarHBondContact O-CB 2.99Å; Y34-R37 PolarHBondContact O-N 3.37Å; Y34-L38 WeakPolarHBondContact O-CB 3.31Å; Y34-L38 PolarHBondContact O-N 2.88Å; Y34-T84 HydrophobicContact CD1-CG2 4.14Å; Y34-P432 HydrophobicContact CE2-CG 4.41Å; Y34-D433 WeakPolarHBondContact OH-CB 3.5Å; Y34-D433 PolarHBondContact OH-N 3.24Å
35	L	93	Very high	91.2	Very high	50 Å²	50	57.9 Å²	57.9	26%	0.262	30%	0.299	S	S	.	.	H	α-helix	trans	-63.5	-42.7	172.5	-68.5	176.3	0	0	0	112	T31 R37 L38 T39 E136	T31-L35 PolarHBondContact O-N 3.45Å; L35-R37 VanDerWaalsContact C-N 3.33Å; L35-R37 PolarHBondContact O-N 3.19Å; L35-L38 PolarHBondContact O-N 3.3Å; L35-T39 VanDerWaalsContact O-CB 3.25Å; L35-T39 WeakPolarHBondContact O-CB 3.38Å; L35-T39 PolarHBondContact O-N 3.35Å; L35-T39 PolarHBondContact O-OG1 3.39Å; L35-E136 HydrophobicContact CD2-CB 4.5Å; L35-E136 HydrophobicContact CD2-CG 4.37Å
36	A	93.1	Very high	91.6	Very high	13 Å²	13	60.7 Å²	60.7	11%	0.107	31%	0.307	C	S	.	.	H	α-helix	trans	-61.7	-42.4	175.4	0	0	0	0	0	111.6	Q32 I33 T39 A40	Q32-A36 WeakPolarHBondContact O-CB 3.48Å; Q32-A36 PolarHBondContact O-N 3.48Å; I33-A36 PolarHBondContact O-N 3.41Å; A36-T39 PolarHBondContact O-N 2.86Å; A36-A40 WeakPolarHBondContact O-CB 3.5Å; A36-A40 PolarHBondContact O-N 3.24Å
37	R	95.2	Very high	92	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-49.9	176.1	-170.4	-175.2	-65.7	173.1	1.8	111.8	I33 Y34 L35 A40 A41 G160 V162 H426 P429 C431 D444 L447	I33-R37 WeakPolarHBondContact O-CB 3.33Å; I33-R37 PolarHBondContact O-N 3.3Å; Y34-R37 WeakPolarHBondContact O-CB 2.99Å; Y34-R37 PolarHBondContact O-N 3.37Å; L35-R37 VanDerWaalsContact C-N 3.33Å; L35-R37 PolarHBondContact O-N 3.19Å; R37-A40 PolarHBondContact O-N 2.59Å; R37-A41 WeakPolarHBondContact O-CB 3.09Å; R37-A41 PolarHBondContact O-N 3.21Å; R37-G160 WeakPolarHBondContact CD-O 3.16Å; R37-G160 VanDerWaalsContact NH1-C 3.32Å; R37-G160 VanDerWaalsContact NH1-CA 3.28Å; R37-G160 PolarHBondContact NH1-O 3.25Å; R37-V162 HydrophobicContact CG-CG2 3.72Å; R37-H426 PolarHBondContact NE-CD2 2.91Å; R37-H426 PolarHBondContact NE-NE2 2.79Å; R37-H426 VanDerWaalsContact NE-NE2 3.16Å; R37-H426 PolarHBondContact NH2-CE1 3.21Å; R37-H426 PolarHBondContact NH2-NE2 3.19Å; R37-P429 PolarHBondContact NH1-O 2.94Å; R37-C431 PolarHBondContact NH2-O 2.81Å; R37-D444 HydrophobicContact CB-CB 4.47Å; R37-D444 IonicContact CZ-OD2 2.71Å; R37-D444 VanDerWaalsContact CZ-OD2 3.22Å; R37-D444 IonicContact NE-OD2 3.79Å; R37-D444 PolarHBondContact NE-OD2 3.32Å; R37-D444 IonicContact NH2-OD2 3.99Å; R37-D444 PolarHBondContact NH2-OD2 3.48Å; R37-L447 HydrophobicContact CG-CD1 4.17Å
38	L	96.3	Very high	92.3	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.016	25%	0.254	C	S	.	.	H	α-helix	trans	-61.8	-45.9	177.5	-179.5	60	0	0	0	111.2	Y34 L35 A40 A41 K42 I82 E136 V162	Y34-L38 WeakPolarHBondContact O-CB 3.31Å; Y34-L38 PolarHBondContact O-N 2.88Å; L35-L38 PolarHBondContact O-N 3.3Å; L38-A40 VanDerWaalsContact C-N 3.28Å; L38-A40 PolarHBondContact O-N 3.22Å; L38-A41 PolarHBondContact O-N 3.16Å; L38-K42 HydrophobicContact CD1-CB 4.32Å; L38-K42 HydrophobicContact CD1-CD 4.5Å; L38-K42 WeakPolarHBondContact O-CB 3.47Å; L38-K42 PolarHBondContact O-N 3.01Å; L38-I82 HydrophobicContact CD1-CG2 4.33Å; L38-E136 HydrophobicContact CD2-CG 4.16Å; L38-V162 HydrophobicContact CD1-CG1 3.68Å
39	T	95.4	Very high	92.9	Very high	94 Å²	94	44.9 Å²	44.9	58%	0.577	24%	0.236	S	C	*	.	H	α-helix	trans	-59.1	-39.3	179.5	-59.7	0	0	0	0	111.9	L35 A36 P43	L35-T39 VanDerWaalsContact O-CB 3.25Å; L35-T39 WeakPolarHBondContact O-CB 3.38Å; L35-T39 PolarHBondContact O-N 3.35Å; L35-T39 PolarHBondContact O-OG1 3.39Å; A36-T39 PolarHBondContact O-N 2.86Å; T39-P43 VanDerWaalsContact O-CD 3.25Å; T39-P43 WeakPolarHBondContact O-CD 3.42Å
40	A	94.8	Very high	93.3	Very high	55 Å²	55	40.3 Å²	40.3	46%	0.455	22%	0.215	S	C	.	.	H	α-helix	trans	-74.4	-39.3	178.4	0	0	0	0	0	113	A36 R37 L38 L447	A36-A40 WeakPolarHBondContact O-CB 3.5Å; A36-A40 PolarHBondContact O-N 3.24Å; R37-A40 PolarHBondContact O-N 2.59Å; L38-A40 VanDerWaalsContact C-N 3.28Å; L38-A40 PolarHBondContact O-N 3.22Å; A40-L447 HydrophobicContact CB-CD2 3.53Å
41	A	96.4	Very high	93.5	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.017	21%	0.211	C	C	.	.	H	α-helix	trans	-83.3	-32.4	-175.4	0	0	0	0	0	113.9	R37 L38 V44 L45 V162 L185	R37-A41 WeakPolarHBondContact O-CB 3.09Å; R37-A41 PolarHBondContact O-N 3.21Å; L38-A41 PolarHBondContact O-N 3.16Å; A41-V44 PolarHBondContact O-N 3.42Å; A41-L45 HydrophobicContact CB-CD1 4.3Å; A41-L45 PolarHBondContact O-N 3.42Å; A41-V162 HydrophobicContact CB-CB 3.92Å; A41-V162 HydrophobicContact CB-CG1 3.82Å; A41-V162 HydrophobicContact CB-CG2 4.21Å; A41-L185 HydrophobicContact CB-CD1 4.06Å; A41-L185 HydrophobicContact CB-CD2 4.06Å; A41-L185 HydrophobicContact CB-CG 4.41Å
42	K	96.1	Very high	93.7	Very high	54 Å²	54	39.4 Å²	39.4	24%	0.235	21%	0.205	C	C	.	.	H	α-helix	trans	-57.7	-45	-172.4	-178.2	170.4	-177.4	168.5	0	114.2	L38 V44 K46 I82 E136	L38-K42 HydrophobicContact CD1-CB 4.32Å; L38-K42 HydrophobicContact CD1-CD 4.5Å; L38-K42 WeakPolarHBondContact O-CB 3.47Å; L38-K42 PolarHBondContact O-N 3.01Å; K42-V44 VanDerWaalsContact C-N 3.34Å; K42-V44 PolarHBondContact O-N 3.01Å; K42-K46 VanDerWaalsContact O-CB 3.27Å; K42-K46 WeakPolarHBondContact O-CB 3.35Å; K42-K46 PolarHBondContact O-N 3.31Å; K42-I82 HydrophobicContact CB-CG2 4.28Å; K42-I82 HydrophobicContact CG-CB 4.45Å; K42-I82 HydrophobicContact CG-CD1 4.41Å; K42-I82 HydrophobicContact CG-CG2 4.13Å; K42-E136 VanDerWaalsContact NZ-CD 3.27Å; K42-E136 IonicContact NZ-OE1 3.48Å; K42-E136 PolarHBondContact NZ-OE1 3.32Å; K42-E136 IonicContact NZ-OE2 2.71Å; K42-E136 PolarHBondContact NZ-OE2 3.45Å
43	P	95.6	Very high	93.9	Very high	62 Å²	62	36.7 Å²	36.7	40%	0.403	19%	0.191	S	C	.	.	H	α-helix	trans	-62.5	-39.5	177.7	-22.9	34.3	0	0	0	113	T39 T47 T453	T39-P43 VanDerWaalsContact O-CD 3.25Å; T39-P43 WeakPolarHBondContact O-CD 3.42Å; P43-T47 PolarHBondContact O-N 2.78Å; P43-T47 PolarHBondContact O-OG1 2.63Å; P43-T453 HydrophobicContact CB-CG2 4.41Å
44	V	96.1	Very high	93.4	Very high	6 Å²	6	37.4 Å²	37.4	4%	0.036	20%	0.197	C	C	.	.	H	α-helix	trans	-67.1	-52.3	179.2	-179.7	0	0	0	0	110	A41 K42 K46 T47 L48 L185 T453 N458	A41-V44 PolarHBondContact O-N 3.42Å; K42-V44 VanDerWaalsContact C-N 3.34Å; K42-V44 PolarHBondContact O-N 3.01Å; V44-K46 VanDerWaalsContact C-N 3.28Å; V44-K46 PolarHBondContact O-N 3.47Å; V44-T47 PolarHBondContact O-N 3.43Å; V44-L48 HydrophobicContact CG1-CD1 3.95Å; V44-L48 HydrophobicContact CG1-CG 4.36Å; V44-L48 WeakPolarHBondContact O-CG 3.3Å; V44-L48 PolarHBondContact O-N 2.87Å; V44-L185 HydrophobicContact CB-CD2 4.09Å; V44-L185 HydrophobicContact CG1-CD2 3.97Å; V44-T453 HydrophobicContact CG2-CG2 3.99Å; V44-N458 HydrophobicContact CG1-CB 4.07Å
45	L	96.2	Very high	92.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.1	-38.1	179.4	-76.5	173.1	0	0	0	112.3	A41 L48 A49 I82 V162 A164 L183 L185	A41-L45 HydrophobicContact CB-CD1 4.3Å; A41-L45 PolarHBondContact O-N 3.42Å; L45-L48 PolarHBondContact O-N 3.17Å; L45-A49 WeakPolarHBondContact O-CB 3.3Å; L45-A49 PolarHBondContact O-N 2.76Å; L45-I82 HydrophobicContact CB-CD1 4.15Å; L45-I82 HydrophobicContact CB-CG2 4.26Å; L45-I82 HydrophobicContact CD1-CG2 3.98Å; L45-V162 HydrophobicContact CD1-CB 4.26Å; L45-V162 HydrophobicContact CD1-CG1 3.61Å; L45-A164 HydrophobicContact CB-CB 4.31Å; L45-L183 WeakPolarHBondContact CD2-O 3.38Å; L45-L185 HydrophobicContact CD1-CD2 4.46Å; L45-L185 HydrophobicContact CD2-CD2 4.14Å; L45-L185 HydrophobicContact CD2-CG 4.38Å; L45-L185 HydrophobicContact CG-CD2 3.85Å; L45-L185 HydrophobicContact CG-CG 4.41Å
46	K	95.4	Very high	90.5	Very high	91 Å²	91	42.5 Å²	42.5	40%	0.396	24%	0.239	S	C	.	.	H	α-helix	trans	-57.6	-51.8	175.2	179.6	176	177.3	179.9	0	111.3	K42 V44 A49 E50 V67 I82	K42-K46 VanDerWaalsContact O-CB 3.27Å; K42-K46 WeakPolarHBondContact O-CB 3.35Å; K42-K46 PolarHBondContact O-N 3.31Å; V44-K46 VanDerWaalsContact C-N 3.28Å; V44-K46 PolarHBondContact O-N 3.47Å; K46-A49 PolarHBondContact O-N 3.27Å; K46-E50 WeakPolarHBondContact CE-OE1 3.39Å; K46-E50 HydrophobicContact CG-CG 4.47Å; K46-E50 IonicContact NZ-OE1 3.93Å; K46-E50 WeakPolarHBondContact O-CB 3.37Å; K46-E50 WeakPolarHBondContact O-CG 3.28Å; K46-E50 PolarHBondContact O-N 2.8Å; K46-V67 HydrophobicContact CG-CG2 4.27Å; K46-I82 HydrophobicContact CB-CD1 3.84Å
47	T	94.2	Very high	88.4	Confident	34 Å²	34	44.9 Å²	44.9	21%	0.209	26%	0.255	C	S	.	.	H	α-helix	trans	-64	-43.6	-179.5	-65.1	0	0	0	0	112.1	P43 V44 A49 Q51 T453	P43-T47 PolarHBondContact O-N 2.78Å; P43-T47 PolarHBondContact O-OG1 2.63Å; V44-T47 PolarHBondContact O-N 3.43Å; T47-A49 VanDerWaalsContact C-N 3.35Å; T47-A49 PolarHBondContact O-N 3.39Å; T47-Q51 WeakPolarHBondContact O-CB 3.25Å; T47-Q51 VanDerWaalsContact O-CG 3.26Å; T47-Q51 WeakPolarHBondContact O-CG 3.11Å; T47-Q51 PolarHBondContact O-N 2.88Å; T47-Q51 PolarHBondContact O-OE1 2.9Å; T47-T453 VanDerWaalsContact CB-O 3.28Å; T47-T453 WeakPolarHBondContact CB-O 3.44Å; T47-T453 WeakPolarHBondContact CG2-O 3.08Å; T47-T453 PolarHBondContact OG1-O 2.81Å; T47-T453 VanDerWaalsContact OG1-O 3.08Å
48	L	94	Very high	86	Confident	21 Å²	21	51 Å²	51	11%	0.11	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-41.4	177.6	-63.1	173.2	0	0	0	111.9	V44 L45 Q51 R52 L183 N458	V44-L48 HydrophobicContact CG1-CD1 3.95Å; V44-L48 HydrophobicContact CG1-CG 4.36Å; V44-L48 WeakPolarHBondContact O-CG 3.3Å; V44-L48 PolarHBondContact O-N 2.87Å; L45-L48 PolarHBondContact O-N 3.17Å; L48-Q51 PolarHBondContact O-N 3.4Å; L48-R52 VanDerWaalsContact O-CB 3.3Å; L48-R52 WeakPolarHBondContact O-CB 3.38Å; L48-R52 PolarHBondContact O-N 2.85Å; L48-L183 HydrophobicContact CB-CD2 3.61Å; L48-N458 HydrophobicContact CD1-CB 4.13Å
49	A	93.8	Very high	83.7	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-67.7	-46.4	179.9	0	0	0	0	0	112.2	L45 K46 T47 Q51 R52 W53 I80 A164 L183	L45-A49 WeakPolarHBondContact O-CB 3.3Å; L45-A49 PolarHBondContact O-N 2.76Å; K46-A49 PolarHBondContact O-N 3.27Å; T47-A49 VanDerWaalsContact C-N 3.35Å; T47-A49 PolarHBondContact O-N 3.39Å; A49-Q51 VanDerWaalsContact C-N 3.29Å; A49-Q51 PolarHBondContact O-N 3.3Å; A49-R52 PolarHBondContact O-N 2.62Å; A49-W53 HydrophobicContact CB-CE3 3.67Å; A49-W53 HydrophobicContact CB-CZ3 3.58Å; A49-W53 PolarHBondContact O-N 3.5Å; A49-I80 HydrophobicContact CB-CD1 4.2Å; A49-I80 HydrophobicContact CB-CG2 4.1Å; A49-A164 HydrophobicContact CB-CB 4.1Å; A49-L183 HydrophobicContact CB-CD2 4.19Å
50	E	92.8	Very high	81.6	Confident	54 Å²	54	61.9 Å²	61.9	25%	0.252	35%	0.348	S	S	.	.	H	α-helix	trans	-60.1	-40	176.1	-74.7	173.8	164.6	0	0	111.3	K46 S54 V67	K46-E50 WeakPolarHBondContact CE-OE1 3.39Å; K46-E50 HydrophobicContact CG-CG 4.47Å; K46-E50 IonicContact NZ-OE1 3.93Å; K46-E50 WeakPolarHBondContact O-CB 3.37Å; K46-E50 WeakPolarHBondContact O-CG 3.28Å; K46-E50 PolarHBondContact O-N 2.8Å; E50-S54 WeakPolarHBondContact O-CA 3.46Å; E50-S54 WeakPolarHBondContact O-CB 3.5Å; E50-S54 PolarHBondContact O-N 2.81Å; E50-S54 PolarHBondContact O-OG 2.95Å; E50-V67 HydrophobicContact CG-CG2 4.14Å
51	Q	89.8	Confident	79.6	Confident	62 Å²	62	67.2 Å²	67.2	29%	0.29	36%	0.364	S	S	.	.	H	α-helix	trans	-68.4	-46.8	176	-72.3	165.2	-15.2	0	0	111.8	T47 L48 A49 T55 A456	T47-Q51 WeakPolarHBondContact O-CB 3.25Å; T47-Q51 VanDerWaalsContact O-CG 3.26Å; T47-Q51 WeakPolarHBondContact O-CG 3.11Å; T47-Q51 PolarHBondContact O-N 2.88Å; T47-Q51 PolarHBondContact O-OE1 2.9Å; L48-Q51 PolarHBondContact O-N 3.4Å; A49-Q51 VanDerWaalsContact C-N 3.29Å; A49-Q51 PolarHBondContact O-N 3.3Å; Q51-T55 PolarHBondContact O-OG1 2.97Å; Q51-A456 VanDerWaalsContact OE1-CA 3.23Å
52	R	89.3	Confident	77.4	Confident	90 Å²	90	73 Å²	73	34%	0.34	40%	0.398	S	S	.	.	H	α-helix	trans	-65.3	-45	-176.7	-177.9	-179.1	173	113.2	-8.8	112.2	L48 A49 D181	L48-R52 VanDerWaalsContact O-CB 3.3Å; L48-R52 WeakPolarHBondContact O-CB 3.38Å; L48-R52 PolarHBondContact O-N 2.85Å; A49-R52 PolarHBondContact O-N 2.62Å; R52-D181 IonicContact CZ-OD2 3.08Å; R52-D181 IonicContact NE-OD2 2.57Å; R52-D181 PolarHBondContact NE-OD2 2.88Å; R52-D181 VanDerWaalsContact NE-OD2 3.08Å; R52-D181 IonicContact NH2-OD1 3.62Å; R52-D181 IonicContact NH2-OD2 3.73Å; R52-D181 PolarHBondContact NH2-OD2 2.96Å
53	W	91.4	Very high	76.2	Confident	24 Å²	24	73.5 Å²	73.5	9%	0.091	41%	0.409	C	S	.	.	H	α-helix	trans	-102.4	-28.5	-169.2	-59.8	-44.4	0	0	0	114	A49 I65 I80 A164 L166 D181 L183	A49-W53 HydrophobicContact CB-CE3 3.67Å; A49-W53 HydrophobicContact CB-CZ3 3.58Å; A49-W53 PolarHBondContact O-N 3.5Å; W53-I65 HydrophobicContact CB-CD1 3.96Å; W53-I80 HydrophobicContact CE3-CD1 3.6Å; W53-I80 HydrophobicContact CE3-CG1 3.54Å; W53-I80 HydrophobicContact CE3-CG2 4.4Å; W53-I80 HydrophobicContact CZ3-CB 4.4Å; W53-I80 HydrophobicContact CZ3-CD1 4.19Å; W53-I80 HydrophobicContact CZ3-CG1 3.77Å; W53-I80 HydrophobicContact CZ3-CG2 3.85Å; W53-A164 HydrophobicContact CH2-CB 4.29Å; W53-A164 HydrophobicContact CZ3-CB 4.26Å; W53-L166 HydrophobicContact CB-CD2 4.48Å; W53-L166 HydrophobicContact CD2-CB 3.89Å; W53-L166 HydrophobicContact CD2-CD2 4.05Å; W53-L166 HydrophobicContact CD2-CG 4.37Å; W53-L166 HydrophobicContact CE3-CB 3.91Å; W53-L166 HydrophobicContact CE3-CD1 4.45Å; W53-L166 HydrophobicContact CG-CD2 3.93Å; W53-L166 HydrophobicContact CH2-CB 3.73Å; W53-L166 HydrophobicContact CZ2-CB 3.73Å; W53-L166 HydrophobicContact CZ3-CB 3.81Å; W53-D181 HydrophobicContact CZ2-CB 3.76Å; W53-D181 PolarHBondContact NE1-OD2 2.99Å; W53-L183 HydrophobicContact CH2-CB 4.01Å; W53-L183 HydrophobicContact CZ2-CB 4.1Å
54	S	80	Confident	75.7	Confident	20 Å²	20	78 Å²	78	14%	0.14	42%	0.419	C	S	.	.	H	α-helix	trans	-89.2	-11.3	-178.3	-51	0	0	0	0	114.4	E50	E50-S54 WeakPolarHBondContact O-CA 3.46Å; E50-S54 WeakPolarHBondContact O-CB 3.5Å; E50-S54 PolarHBondContact O-N 2.81Å; E50-S54 PolarHBondContact O-OG 2.95Å
55	T	68.4	Low	75.5	Confident	113 Å²	113	78.3 Å²	78.3	69%	0.693	42%	0.421	S	S	*	.	S	Bend	trans	-100.5	-13.9	177.3	63.7	0	0	0	0	115.1	Q51 S57	Q51-T55 PolarHBondContact O-OG1 2.97Å; T55-S57 PolarHBondContact O-N 3.3Å
56	S	56.5	Low	75.5	Confident	93 Å²	93	79 Å²	79	65%	0.65	43%	0.425	S	S	*	.			trans	-92	28.8	-167.8	-154.3	0	0	0	0	115.6
57	S	48.7	Very low	75.5	Confident	62 Å²	62	76.4 Å²	76.4	43%	0.434	42%	0.417	S	S	.	.			trans	-99.1	91.6	171.4	-75.5	0	0	0	0	111	T55 K59	T55-S57 PolarHBondContact O-N 3.3Å; S57-K59 PolarHBondContact O-N 2.92Å
58	T	44.8	Very low	75.6	Confident	132 Å²	132	78.7 Å²	78.7	81%	0.81	42%	0.422	S	S	*	.			trans	-62.4	123.7	160.3	48.7	0	0	0	0	109.8
59	K	47.5	Very low	75.7	Confident	194 Å²	194	80 Å²	80	84%	0.843	43%	0.43	S	S	*	.	S	Bend	trans	85.3	96.2	171.2	-57	178.3	178.6	175.9	0	116.6	S57 E61	S57-K59 PolarHBondContact O-N 2.92Å; K59-E61 PolarHBondContact O-N 3.27Å
60	S	52.7	Low	75.9	Confident	130 Å²	130	80.3 Å²	80.3	91%	0.909	43%	0.432	S	S	*	.	S	Bend	trans	81.6	-16.2	144.9	-61.7	0	0	0	0	122.3
61	E	50.9	Low	75.9	Confident	167 Å²	167	80.9 Å²	80.9	78%	0.78	45%	0.446	S	S	*	.			trans	-140.2	114.9	163.7	-74.4	-177.4	166.1	0	0	109.6	K59 S63	K59-E61 PolarHBondContact O-N 3.27Å; E61-S63 VanDerWaalsContact C-N 3.31Å; E61-S63 PolarHBondContact O-N 3.47Å
62	V	51.8	Low	76.2	Confident	123 Å²	123	82.4 Å²	82.4	75%	0.745	46%	0.456	S	S	*	.			trans	-72.4	91.7	171.4	179.9	0	0	0	0	106.8	Y64	V62-Y64 PolarHBondContact O-N 3.01Å
63	S	69.9	Low	76.5	Confident	66 Å²	66	79.2 Å²	79.2	46%	0.462	45%	0.446	S	S	.	.			trans	-70.8	95	170.6	57	0	0	0	0	108.4	E61 I65	E61-S63 VanDerWaalsContact C-N 3.31Å; E61-S63 PolarHBondContact O-N 3.47Å; S63-I65 PolarHBondContact O-N 3.4Å
64	Y	85.7	Confident	76.6	Confident	155 Å²	155	82 Å²	82	61%	0.608	46%	0.462	S	S	*	.			trans	-58.5	122.4	167.8	170.2	-100.4	0	0	0	109.1	V62 P66	V62-Y64 PolarHBondContact O-N 3.01Å; Y64-P66 HydrophobicContact CE1-CB 3.97Å
65	I	92.2	Very high	77.2	Confident	14 Å²	14	82.9 Å²	82.9	7%	0.072	47%	0.474	C	S	.	.			trans	-95.1	115.7	176.1	-59.2	170.7	0	0	0	107.8	W53 S63 I80 L166	W53-I65 HydrophobicContact CB-CD1 3.96Å; S63-I65 PolarHBondContact O-N 3.4Å; I65-I80 HydrophobicContact CB-CD1 4.37Å; I65-I80 HydrophobicContact CG2-CD1 3.96Å; I65-I80 HydrophobicContact CG2-CG1 3.78Å; I65-L166 HydrophobicContact CD1-CD1 3.99Å; I65-L166 HydrophobicContact CG2-CD1 3.82Å
66	P	95	Very high	78.5	Confident	14 Å²	14	81.7 Å²	81.7	9%	0.091	46%	0.464	C	S	.	.			trans	-72.5	147.6	-178.8	28.4	-33	0	0	0	111.8	Y64 E77 C79 I80	Y64-P66 HydrophobicContact CE1-CB 3.97Å; P66-E77 WeakPolarHBondContact CG-OE1 3.43Å; P66-C79 HydrophobicContact CG-CB 4.15Å; P66-C79 CarbonylContact O-C 3.59Å; P66-C79 WeakPolarHBondContact O-CA 3.46Å; P66-C79 WeakPolarHBondContact O-CB 3.39Å; P66-I80 PolarHBondContact O-N 3.34Å
67	V	96	Very high	80.3	Confident	37 Å²	37	79.6 Å²	79.6	22%	0.224	44%	0.444	C	S	.	.	B	Isolated β-bridge	trans	-92.7	122	167.9	-177	0	0	0	0	108.1	K46 E50 I80 I82	K46-V67 HydrophobicContact CG-CG2 4.27Å; E50-V67 HydrophobicContact CG-CG2 4.14Å; V67-I80 CarbonylContact C-O 3.28Å; V67-I80 WeakPolarHBondContact CA-O 3.21Å; V67-I80 HydrophobicContact CG2-CB 4.1Å; V67-I80 HydrophobicContact CG2-CD1 4.17Å; V67-I80 HydrophobicContact CG2-CG2 4.35Å; V67-I82 HydrophobicContact CG1-CD1 4.39Å
68	R	96.4	Very high	82.5	Confident	82 Å²	82	80.9 Å²	80.9	31%	0.309	44%	0.441	S	S	.	.			trans	-113.9	151.5	-177.2	-63.1	-65.6	-174.3	-158.4	-3.9	111.1	L73 E77 C79 I80	R68-L73 HydrophobicContact CB-CD2 4.08Å; R68-E77 IonicContact CZ-OE1 3.85Å; R68-E77 IonicContact CZ-OE2 3.36Å; R68-E77 IonicContact NE-OE1 3.3Å; R68-E77 IonicContact NE-OE2 3.66Å; R68-E77 PolarHBondContact NE-OE2 2.92Å; R68-E77 IonicContact NH2-OE1 2.79Å; R68-E77 PolarHBondContact NH2-OE1 3.33Å; R68-E77 IonicContact NH2-OE2 3.65Å; R68-E77 PolarHBondContact NH2-OE2 2.94Å; R68-C79 HydrophobicContact CB-CB 4.39Å; R68-C79 HydrophobicContact CG-CB 3.71Å; R68-I80 PolarHBondContact N-O 3.27Å
69	T	96.8	Very high	85	Confident	48 Å²	48	74.6 Å²	74.6	29%	0.294	40%	0.403	S	S	.	.			trans	-79.6	163.2	160.2	73.1	0	0	0	0	108.4	A71 D72	T69-A71 PolarHBondContact O-N 2.85Å; T69-A71 PolarHBondContact OG1-N 3.45Å; T69-D72 PolarHBondContact O-N 3.28Å; T69-D72 PolarHBondContact OG1-N 3.05Å; T69-D72 PolarHBondContact OG1-OD2 3.4Å
70	L	96.2	Very high	87.3	Confident	7 Å²	7	65.4 Å²	65.4	4%	0.037	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-65.8	-29.4	178.3	-59.4	-178.5	0	0	0	111.5	D72 L73 I81 L133 D135 Q138 I140	L70-D72 VanDerWaalsContact C-N 3.29Å; L70-D72 PolarHBondContact O-N 3.25Å; L70-L73 HydrophobicContact CD2-CD1 4.16Å; L70-I81 HydrophobicContact CD2-CB 4.14Å; L70-I81 HydrophobicContact CD2-CD1 3.95Å; L70-I81 HydrophobicContact CD2-CG2 4.03Å; L70-L133 WeakPolarHBondContact CD1-O 3.47Å; L70-D135 VanDerWaalsContact CB-OD2 3.22Å; L70-D135 WeakPolarHBondContact CB-OD2 3.36Å; L70-D135 HydrophobicContact CD1-CB 3.91Å; L70-D135 HydrophobicContact CG-CB 3.93Å; L70-D135 WeakPolarHBondContact CG-OD2 3.39Å; L70-D135 PolarHBondContact N-OD2 3.25Å; L70-Q138 HydrophobicContact CB-CG 3.67Å; L70-Q138 HydrophobicContact CD1-CG 4.16Å; L70-Q138 PolarHBondContact O-NE2 3.35Å; L70-I140 HydrophobicContact CD1-CB 4.45Å; L70-I140 HydrophobicContact CD1-CG2 4.14Å; L70-I140 HydrophobicContact CD2-CB 4.4Å; L70-I140 HydrophobicContact CD2-CG2 3.69Å
71	A	94.7	Very high	89.5	Confident	65 Å²	65	59.2 Å²	59.2	54%	0.537	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-72.1	-23.3	178.6	0	0	0	0	0	113.2	T69	T69-A71 PolarHBondContact O-N 2.85Å; T69-A71 PolarHBondContact OG1-N 3.45Å
72	D	95	Very high	91.7	Very high	94 Å²	94	51.6 Å²	51.6	50%	0.503	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-104.6	20.9	-176.4	-57	-46.2	0	0	0	112.6	T69 L70	T69-D72 PolarHBondContact O-N 3.28Å; T69-D72 PolarHBondContact OG1-N 3.05Å; T69-D72 PolarHBondContact OG1-OD2 3.4Å; L70-D72 VanDerWaalsContact C-N 3.29Å; L70-D72 PolarHBondContact O-N 3.25Å
73	L	95.4	Very high	93.9	Very high	24 Å²	24	45.8 Å²	45.8	13%	0.126	25%	0.249	C	C	.	.			trans	-69.5	133.5	175.8	-72.3	175.7	0	0	0	110.8	R68 L70 C79 I81 I140 E169 F177	R68-L73 HydrophobicContact CB-CD2 4.08Å; L70-L73 HydrophobicContact CD2-CD1 4.16Å; L73-C79 VanDerWaalsContact CD2-SG 3.57Å; L73-I81 HydrophobicContact CD2-CG2 3.78Å; L73-I140 HydrophobicContact CD1-CD1 3.64Å; L73-E169 WeakPolarHBondContact CB-OE2 3.46Å; L73-F177 HydrophobicContact CD1-CD2 4.5Å; L73-F177 HydrophobicContact CD2-CE2 4.29Å
74	N	93.9	Very high	95.3	Very high	83 Å²	83	43 Å²	43	44%	0.444	23%	0.229	S	C	.	.			trans	-105.8	137.2	171.1	-60.5	-49.3	0	0	0	108.8	D76 E77	N74-D76 PolarHBondContact O-N 2.92Å; N74-E77 HydrophobicContact CB-CB 3.81Å; N74-E77 PolarHBondContact ND2-OE2 2.85Å; N74-E77 WeakPolarHBondContact O-CB 3.28Å; N74-E77 PolarHBondContact O-N 3.17Å; N74-E77 VanDerWaalsContact O-N 3.16Å
75	G	93.6	Very high	95.8	Very high	37 Å²	37	35.6 Å²	35.6	38%	0.381	20%	0.2	S	C	.	.	B	Isolated β-bridge	trans	-53.8	134.1	176.4	0	0	0	0	0	111.7	E77	G75-E77 PolarHBondContact O-N 3.02Å
76	D	94	Very high	96	Very high	89 Å²	89	37.4 Å²	37.4	48%	0.476	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	8.1	-179.6	-57.7	-30.1	0	0	0	115.5	N74 K78 E169 P170 E171	N74-D76 PolarHBondContact O-N 2.92Å; D76-K78 PolarHBondContact O-N 3.39Å; D76-E169 PolarHBondContact N-O 2.87Å; D76-P170 VanDerWaalsContact OD1-CA 3.24Å; D76-P170 WeakPolarHBondContact OD1-CA 3.14Å; D76-E171 PolarHBondContact OD1-N 3.39Å
77	E	94.9	Very high	96	Very high	49 Å²	49	36.9 Å²	36.9	23%	0.229	20%	0.204	C	C	.	.			trans	-79.9	117.8	174.4	-174.8	-174.5	-153.2	0	0	110.4	P66 R68 N74 G75 C79 Y168	P66-E77 WeakPolarHBondContact CG-OE1 3.43Å; R68-E77 IonicContact CZ-OE1 3.85Å; R68-E77 IonicContact CZ-OE2 3.36Å; R68-E77 IonicContact NE-OE1 3.3Å; R68-E77 IonicContact NE-OE2 3.66Å; R68-E77 PolarHBondContact NE-OE2 2.92Å; R68-E77 IonicContact NH2-OE1 2.79Å; R68-E77 PolarHBondContact NH2-OE1 3.33Å; R68-E77 IonicContact NH2-OE2 3.65Å; R68-E77 PolarHBondContact NH2-OE2 2.94Å; N74-E77 HydrophobicContact CB-CB 3.81Å; N74-E77 PolarHBondContact ND2-OE2 2.85Å; N74-E77 WeakPolarHBondContact O-CB 3.28Å; N74-E77 PolarHBondContact O-N 3.17Å; N74-E77 VanDerWaalsContact O-N 3.16Å; G75-E77 PolarHBondContact O-N 3.02Å; E77-C79 PolarHBondContact O-N 3.37Å; E77-Y168 WeakPolarHBondContact O-CB 3.42Å
78	K	95	Very high	95.9	Very high	89 Å²	89	39.7 Å²	39.7	39%	0.387	21%	0.214	S	C	.	.			trans	-66.9	117.4	170.9	-170.9	170.4	-171.2	159.4	0	110.6	D76 L166 G167 E180	D76-K78 PolarHBondContact O-N 3.39Å; K78-L166 HydrophobicContact CG-CD1 4.22Å; K78-G167 CarbonylContact C-O 3.48Å; K78-G167 WeakPolarHBondContact CA-O 3.19Å; K78-E180 WeakPolarHBondContact CE-OE2 3.21Å; K78-E180 IonicContact NZ-OE1 3.04Å; K78-E180 IonicContact NZ-OE2 3.61Å; K78-E180 PolarHBondContact NZ-OE2 3.2Å
79	C	96.5	Very high	95.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	173.5	-175.5	62.7	0	0	0	0	112.5	P66 R68 L73 E77 G167	P66-C79 HydrophobicContact CG-CB 4.15Å; P66-C79 CarbonylContact O-C 3.59Å; P66-C79 WeakPolarHBondContact O-CA 3.46Å; P66-C79 WeakPolarHBondContact O-CB 3.39Å; R68-C79 HydrophobicContact CB-CB 4.39Å; R68-C79 HydrophobicContact CG-CB 3.71Å; L73-C79 VanDerWaalsContact CD2-SG 3.57Å; E77-C79 PolarHBondContact O-N 3.37Å; C79-G167 PolarHBondContact N-O 3.36Å; C79-G167 PolarHBondContact O-N 3.06Å; C79-G167 VanDerWaalsContact O-O 3.09Å
80	I	97.2	Very high	95.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	128.6	174.7	-61.7	159.2	0	0	0	108.5	A49 W53 I65 P66 V67 R68 I82 A164 A165 L166	A49-I80 HydrophobicContact CB-CD1 4.2Å; A49-I80 HydrophobicContact CB-CG2 4.1Å; W53-I80 HydrophobicContact CE3-CD1 3.6Å; W53-I80 HydrophobicContact CE3-CG1 3.54Å; W53-I80 HydrophobicContact CE3-CG2 4.4Å; W53-I80 HydrophobicContact CZ3-CB 4.4Å; W53-I80 HydrophobicContact CZ3-CD1 4.19Å; W53-I80 HydrophobicContact CZ3-CG1 3.77Å; W53-I80 HydrophobicContact CZ3-CG2 3.85Å; I65-I80 HydrophobicContact CB-CD1 4.37Å; I65-I80 HydrophobicContact CG2-CD1 3.96Å; I65-I80 HydrophobicContact CG2-CG1 3.78Å; P66-I80 PolarHBondContact O-N 3.34Å; V67-I80 CarbonylContact C-O 3.28Å; V67-I80 WeakPolarHBondContact CA-O 3.21Å; V67-I80 HydrophobicContact CG2-CB 4.1Å; V67-I80 HydrophobicContact CG2-CD1 4.17Å; V67-I80 HydrophobicContact CG2-CG2 4.35Å; R68-I80 PolarHBondContact N-O 3.27Å; I80-I82 HydrophobicContact CG2-CG1 4.29Å; I80-A164 HydrophobicContact CG2-CB 4.37Å; I80-A165 WeakPolarHBondContact CA-O 3.16Å; I80-L166 HydrophobicContact CG1-CD1 4.15Å
81	I	97.8	Very high	94.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	145.9	170.5	59.6	177.2	0	0	0	110	L70 L73 L133 I140 A164 A165 F177	L70-I81 HydrophobicContact CD2-CB 4.14Å; L70-I81 HydrophobicContact CD2-CD1 3.95Å; L70-I81 HydrophobicContact CD2-CG2 4.03Å; L73-I81 HydrophobicContact CD2-CG2 3.78Å; I81-L133 HydrophobicContact CB-CD2 4.18Å; I81-L133 HydrophobicContact CD1-CD2 3.48Å; I81-L133 VanDerWaalsContact CD1-CD2 3.48Å; I81-L133 HydrophobicContact CG1-CD2 3.58Å; I81-I140 HydrophobicContact CD1-CG2 4.27Å; I81-A164 CarbonylContact O-C 3.56Å; I81-A164 WeakPolarHBondContact O-CA 3.35Å; I81-A165 HydrophobicContact CG1-CB 3.98Å; I81-A165 PolarHBondContact N-O 3.13Å; I81-A165 PolarHBondContact O-N 2.98Å; I81-F177 HydrophobicContact CD1-CB 4.21Å; I81-F177 HydrophobicContact CD1-CD1 3.48Å; I81-F177 VanDerWaalsContact CD1-CD1 3.48Å; I81-F177 HydrophobicContact CD1-CD2 3.71Å; I81-F177 HydrophobicContact CD1-CE1 3.58Å; I81-F177 HydrophobicContact CD1-CE2 3.81Å; I81-F177 HydrophobicContact CD1-CG 3.52Å; I81-F177 HydrophobicContact CD1-CZ 3.74Å; I81-F177 HydrophobicContact CG1-CD1 4.23Å; I81-F177 HydrophobicContact CG1-CE1 3.82Å; I81-F177 HydrophobicContact CG1-CE2 4.22Å; I81-F177 HydrophobicContact CG1-CZ 3.8Å; I81-F177 HydrophobicContact CG2-CE2 4.07Å; I81-F177 HydrophobicContact CG2-CZ 4.25Å
82	I	98.2	Very high	94.2	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.041	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	125.9	179.2	-55.1	176.6	0	0	0	108.3	L38 K42 L45 K46 V67 I80 V162 V163 A164	L38-I82 HydrophobicContact CD1-CG2 4.33Å; K42-I82 HydrophobicContact CB-CG2 4.28Å; K42-I82 HydrophobicContact CG-CB 4.45Å; K42-I82 HydrophobicContact CG-CD1 4.41Å; K42-I82 HydrophobicContact CG-CG2 4.13Å; L45-I82 HydrophobicContact CB-CD1 4.15Å; L45-I82 HydrophobicContact CB-CG2 4.26Å; L45-I82 HydrophobicContact CD1-CG2 3.98Å; K46-I82 HydrophobicContact CB-CD1 3.84Å; V67-I82 HydrophobicContact CG1-CD1 4.39Å; I80-I82 HydrophobicContact CG2-CG1 4.29Å; I82-V162 HydrophobicContact CG2-CG1 4.31Å; I82-V163 WeakPolarHBondContact CA-O 3.4Å; I82-A164 HydrophobicContact CG1-CB 3.94Å
83	G	98.1	Very high	93.4	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	-178.3	-178.3	0	0	0	0	0	112.6	E134 V162 V163	G83-E134 CarbonylContact C-O 3.18Å; G83-E134 WeakPolarHBondContact CA-O 3.17Å; G83-V162 WeakPolarHBondContact O-CA 3.28Å; G83-V162 WeakPolarHBondContact O-CG1 3.1Å; G83-V163 PolarHBondContact N-O 2.85Å; G83-V163 VanDerWaalsContact N-O 3.16Å; G83-V163 PolarHBondContact O-N 3.16Å
84	T	97.8	Very high	92.6	Very high	7 Å²	7	44.6 Å²	44.6	4%	0.043	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.4	176.3	-52.5	0	0	0	0	109	Y34 E134	Y34-T84 HydrophobicContact CD1-CG2 4.14Å; T84-E134 PolarHBondContact N-O 3.25Å; T84-E134 PolarHBondContact O-N 3.12Å
85	L	97.5	Very high	92	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	137.4	174.8	-70	175.1	0	0	0	110.4	F132 L133 L142 L157 T159 G160 V161 V163 M182	L85-F132 WeakPolarHBondContact CA-O 3.28Å; L85-L133 HydrophobicContact CD2-CD1 3.78Å; L85-L133 HydrophobicContact CG-CD1 4.29Å; L85-L142 HydrophobicContact CD2-CD1 3.59Å; L85-L157 HydrophobicContact CD1-CB 4.18Å; L85-L157 HydrophobicContact CD1-CD1 4.13Å; L85-L157 HydrophobicContact CD1-CD2 4.11Å; L85-L157 HydrophobicContact CD1-CG 4.37Å; L85-T159 CarbonylContact O-C 3.55Å; L85-T159 VanDerWaalsContact O-CA 3.29Å; L85-T159 WeakPolarHBondContact O-CA 3.43Å; L85-G160 PolarHBondContact O-N 3.22Å; L85-V161 HydrophobicContact CD1-CB 4.2Å; L85-V161 HydrophobicContact CD1-CG1 4.47Å; L85-V161 PolarHBondContact N-O 2.9Å; L85-V163 HydrophobicContact CD1-CG1 4.08Å; L85-V163 HydrophobicContact CD2-CG1 3.89Å; L85-V163 HydrophobicContact CG-CG1 3.75Å; L85-M182 HydrophobicContact CD1-CE 4.23Å; L85-M182 HydrophobicContact CD2-CE 4.27Å
86	F	96.1	Very high	91.3	Very high	52 Å²	52	50.2 Å²	50.2	23%	0.228	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.4	166.9	173.9	-98.8	0	0	0	108.3	E88 F132 E134 T159	F86-E88 HydrophobicContact CE1-CB 4.01Å; F86-F132 HydrophobicContact CB-CB 4.31Å; F86-F132 HydrophobicContact CD1-CB 4.29Å; F86-F132 AromaticContact CD1-CD2 3.93Å; F86-F132 HydrophobicContact CD1-CD2 3.93Å; F86-F132 HydrophobicContact CD1-CG 4.44Å; F86-F132 HydrophobicContact CE1-CD2 4.45Å; F86-F132 PolarHBondContact N-O 2.97Å; F86-F132 PolarHBondContact O-N 2.94Å; F86-E134 HydrophobicContact CB-CG 3.97Å; F86-T159 HydrophobicContact CD2-CG2 3.92Å
87	K	95	Very high	90.4	Very high	3 Å²	3	50.6 Å²	50.6	1%	0.013	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	111.8	178.8	-171.4	176	177.1	178.1	0	109.4	M89 D129 L131 A155 L157 T159 Y408	K87-M89 HydrophobicContact CB-CG 4.39Å; K87-M89 HydrophobicContact CD-CG 4.01Å; K87-M89 HydrophobicContact CD-SD 4.07Å; K87-M89 HydrophobicContact CG-CG 3.71Å; K87-M89 HydrophobicContact CG-SD 4.32Å; K87-D129 VanDerWaalsContact CE-OD2 3.28Å; K87-D129 WeakPolarHBondContact CE-OD2 3.23Å; K87-D129 HydrophobicContact CG-CB 4.46Å; K87-D129 IonicContact NZ-OD2 3.49Å; K87-L131 HydrophobicContact CB-CD2 3.69Å; K87-L131 HydrophobicContact CD-CD2 4.12Å; K87-L131 HydrophobicContact CG-CD2 3.72Å; K87-A155 PolarHBondContact NZ-O 3.14Å; K87-L157 WeakPolarHBondContact CD-O 3.29Å; K87-L157 PolarHBondContact NZ-O 2.89Å; K87-T159 PolarHBondContact N-OG1 2.73Å; K87-Y408 PolarHBondContact NZ-O 3.39Å
88	E	93.2	Very high	89.6	Confident	95 Å²	95	50.1 Å²	50.1	44%	0.444	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	117.5	171	-170	166.7	-110.4	0	0	108.6	F86 D129 V130 F132	F86-E88 HydrophobicContact CE1-CB 4.01Å; E88-D129 WeakPolarHBondContact O-CA 3.34Å; E88-V130 HydrophobicContact CB-CB 4.45Å; E88-V130 PolarHBondContact N-O 2.96Å; E88-V130 PolarHBondContact O-N 3.16Å; E88-F132 HydrophobicContact CB-CE2 4.19Å
89	M	90.6	Very high	88.7	Confident	18 Å²	18	49.8 Å²	49.8	9%	0.089	25%	0.25	C	C	.	.			trans	-115.6	121.7	-169.8	-66.9	-175.8	60.7	0	0	111	K87 L91 K92 L124 T125 D129 Y408	K87-M89 HydrophobicContact CB-CG 4.39Å; K87-M89 HydrophobicContact CD-CG 4.01Å; K87-M89 HydrophobicContact CD-SD 4.07Å; K87-M89 HydrophobicContact CG-CG 3.71Å; K87-M89 HydrophobicContact CG-SD 4.32Å; M89-L91 VanDerWaalsContact C-N 3.33Å; M89-L91 PolarHBondContact O-N 3.48Å; M89-K92 HydrophobicContact CB-CB 3.75Å; M89-K92 PolarHBondContact O-N 2.66Å; M89-L124 HydrophobicContact CE-CB 3.87Å; M89-L124 WeakPolarHBondContact CE-O 3.36Å; M89-T125 HydrophobicContact CE-CG2 3.93Å; M89-D129 WeakPolarHBondContact CA-OD1 3.32Å; M89-Y408 HydrophobicContact CE-CD1 3.72Å; M89-Y408 HydrophobicContact SD-CD1 3.51Å; M89-Y408 VanDerWaalsContact SD-CD1 3.51Å; M89-Y408 HydrophobicContact SD-CE1 4.41Å; M89-Y408 HydrophobicContact SD-CG 4.26Å
90	R	86.3	Confident	87.8	Confident	177 Å²	177	51.6 Å²	51.6	67%	0.668	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-37.1	-173.9	-178.5	177.6	174	172.4	1.6	113	D128 D129	R90-D128 WeakPolarHBondContact CD-OD2 3.28Å; R90-D128 IonicContact CZ-OD2 2.9Å; R90-D128 IonicContact NE-OD2 3.5Å; R90-D128 IonicContact NH1-OD2 2.77Å; R90-D128 PolarHBondContact NH1-OD2 2.88Å; R90-D129 PolarHBondContact N-OD1 2.93Å; R90-D129 VanDerWaalsContact N-OD1 3.1Å
91	L	86.4	Confident	86.6	Confident	68 Å²	68	52.3 Å²	52.3	36%	0.356	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-4.5	-177.4	-54.9	174.8	0	0	0	113	M89 P93 L124	M89-L91 VanDerWaalsContact C-N 3.33Å; M89-L91 PolarHBondContact O-N 3.48Å; L91-P93 WeakPolarHBondContact O-CD 3.48Å; L91-L124 HydrophobicContact CB-CD2 4.5Å; L91-L124 WeakPolarHBondContact CB-O 3.25Å
92	K	85	Confident	85.5	Confident	60 Å²	60	57.4 Å²	57.4	26%	0.261	30%	0.301	S	S	.	.	S	Bend	trans	-69.6	124.4	177.4	-176.3	178.7	177.5	-174.5	0	108.6	M89 S94 D433	M89-K92 HydrophobicContact CB-CB 3.75Å; M89-K92 PolarHBondContact O-N 2.66Å; K92-S94 PolarHBondContact O-N 2.84Å; K92-D433 IonicContact NZ-OD1 3.53Å; K92-D433 PolarHBondContact NZ-OD1 2.82Å; K92-D433 IonicContact NZ-OD2 3.56Å; K92-D433 PolarHBondContact NZ-OD2 3.38Å
93	P	79.6	Confident	84.2	Confident	46 Å²	46	64.3 Å²	64.3	30%	0.299	33%	0.333	S	S	.	.			trans	-56.1	139.6	177.5	-25.3	34.1	0	0	0	111.7	L91 A289	L91-P93 WeakPolarHBondContact O-CD 3.48Å; P93-A289 HydrophobicContact CB-CB 4.46Å
94	S	79.1	Confident	82.8	Confident	54 Å²	54	68.9 Å²	68.9	38%	0.378	36%	0.357	S	S	.	.			trans	-126.5	121.1	-178.9	171.7	0	0	0	0	110	K92 L96 H97 D98	K92-S94 PolarHBondContact O-N 2.84Å; S94-L96 PolarHBondContact O-N 2.87Å; S94-L96 PolarHBondContact OG-N 3.4Å; S94-H97 WeakPolarHBondContact O-CB 3.17Å; S94-H97 PolarHBondContact O-N 3.48Å; S94-H97 PolarHBondContact OG-N 3.08Å; S94-D98 PolarHBondContact O-N 2.73Å
95	V	80.2	Confident	80.8	Confident	105 Å²	105	77.2 Å²	77.2	64%	0.636	40%	0.395	S	S	*	.	H	α-helix	trans	-56.5	-37.1	176.9	178.1	0	0	0	0	111.1	D98 I99	V95-D98 PolarHBondContact O-N 3.33Å; V95-I99 HydrophobicContact CG1-CD1 3.75Å; V95-I99 HydrophobicContact CG1-CG1 4.33Å; V95-I99 WeakPolarHBondContact O-CB 3.14Å; V95-I99 WeakPolarHBondContact O-CG1 3.38Å; V95-I99 PolarHBondContact O-N 3.05Å
96	L	78.9	Confident	78.5	Confident	133 Å²	133	84.3 Å²	84.3	70%	0.696	43%	0.433	S	S	*	.	H	α-helix	trans	-68.3	-39.6	178	-65	177.4	0	0	0	111.9	S94 A100	S94-L96 PolarHBondContact O-N 2.87Å; S94-L96 PolarHBondContact OG-N 3.4Å; L96-A100 VanDerWaalsContact O-CB 3.26Å; L96-A100 WeakPolarHBondContact O-CB 3.47Å; L96-A100 PolarHBondContact O-N 3.3Å
97	H	76.1	Confident	76.1	Confident	98 Å²	98	85.9 Å²	85.9	45%	0.454	44%	0.443	S	S	.	.	H	α-helix	trans	-67.3	-40.7	175.6	-170.2	74.8	0	0	0	111	S94 A100 A101	S94-H97 WeakPolarHBondContact O-CB 3.17Å; S94-H97 PolarHBondContact O-N 3.48Å; S94-H97 PolarHBondContact OG-N 3.08Å; H97-A100 PolarHBondContact O-N 3.28Å; H97-A101 VanDerWaalsContact O-CB 3.29Å; H97-A101 WeakPolarHBondContact O-CB 3.43Å; H97-A101 PolarHBondContact O-N 3.05Å
98	D	76.4	Confident	73.7	Confident	38 Å²	38	92.5 Å²	92.5	20%	0.203	47%	0.474	C	S	.	.	H	α-helix	trans	-63.8	-44.4	176.4	-67.6	-27.9	0	0	0	111.6	S94 V95 A101 V102 A289	S94-D98 PolarHBondContact O-N 2.73Å; V95-D98 PolarHBondContact O-N 3.33Å; D98-A101 PolarHBondContact O-N 3.11Å; D98-V102 WeakPolarHBondContact O-CG2 3.39Å; D98-V102 PolarHBondContact O-N 2.96Å; D98-A289 WeakPolarHBondContact OD2-CB 3.35Å
99	I	76.3	Confident	71.6	Confident	83 Å²	83	89.1 Å²	89.1	43%	0.426	46%	0.461	S	S	.	.	H	α-helix	trans	-62.9	-46.4	175.4	-69.3	167.5	0	0	0	110.3	V95 A101 V102 E103	V95-I99 HydrophobicContact CG1-CD1 3.75Å; V95-I99 HydrophobicContact CG1-CG1 4.33Å; V95-I99 WeakPolarHBondContact O-CB 3.14Å; V95-I99 WeakPolarHBondContact O-CG1 3.38Å; V95-I99 PolarHBondContact O-N 3.05Å; I99-A101 VanDerWaalsContact C-N 3.32Å; I99-A101 PolarHBondContact O-N 2.87Å; I99-V102 PolarHBondContact O-N 2.93Å; I99-V102 VanDerWaalsContact O-N 3.14Å; I99-E103 HydrophobicContact CG2-CG 4.45Å; I99-E103 WeakPolarHBondContact O-CG 3.13Å; I99-E103 PolarHBondContact O-N 3.46Å
100	A	77.8	Confident	69.4	Low	37 Å²	37	96.2 Å²	96.2	31%	0.306	50%	0.499	S	S	.	.	H	α-helix	trans	-62	-38.5	178.4	0	0	0	0	0	112.3	L96 H97 V102 E103 I104	L96-A100 VanDerWaalsContact O-CB 3.26Å; L96-A100 WeakPolarHBondContact O-CB 3.47Å; L96-A100 PolarHBondContact O-N 3.3Å; H97-A100 PolarHBondContact O-N 3.28Å; A100-V102 VanDerWaalsContact C-N 3.33Å; A100-E103 PolarHBondContact O-N 3.31Å; A100-I104 VanDerWaalsContact O-CB 3.29Å; A100-I104 WeakPolarHBondContact O-CB 3.23Å; A100-I104 VanDerWaalsContact O-CG1 3.26Å; A100-I104 WeakPolarHBondContact O-CG1 3.5Å; A100-I104 PolarHBondContact O-N 2.89Å
101	A	71.6	Confident	67.5	Low	15 Å²	15	90.6 Å²	90.6	12%	0.124	48%	0.482	C	S	.	.	H	α-helix	trans	-69.7	-28.7	175.6	0	0	0	0	0	112.9	H97 D98 I99 I104 I107	H97-A101 VanDerWaalsContact O-CB 3.29Å; H97-A101 WeakPolarHBondContact O-CB 3.43Å; H97-A101 PolarHBondContact O-N 3.05Å; D98-A101 PolarHBondContact O-N 3.11Å; I99-A101 VanDerWaalsContact C-N 3.32Å; I99-A101 PolarHBondContact O-N 2.87Å; A101-I104 CarbonylContact O-C 3.58Å; A101-I107 HydrophobicContact CB-CB 4.34Å
102	V	74.7	Confident	65.4	Low	107 Å²	107	95.7 Å²	95.7	65%	0.648	50%	0.496	S	S	*	.	H	α-helix	trans	-74.3	-40.8	173.1	172.5	0	0	0	0	110.9	D98 I99 A100	D98-V102 WeakPolarHBondContact O-CG2 3.39Å; D98-V102 PolarHBondContact O-N 2.96Å; I99-V102 PolarHBondContact O-N 2.93Å; I99-V102 VanDerWaalsContact O-N 3.14Å; A100-V102 VanDerWaalsContact C-N 3.33Å
103	E	72.6	Confident	63.4	Low	154 Å²	154	95.3 Å²	95.3	72%	0.72	50%	0.497	S	S	*	.	H	α-helix	trans	-71.5	-34.3	178.3	-72	-177.3	168.4	0	0	112.7	I99 A100	I99-E103 HydrophobicContact CG2-CG 4.45Å; I99-E103 WeakPolarHBondContact O-CG 3.13Å; I99-E103 PolarHBondContact O-N 3.46Å; A100-E103 PolarHBondContact O-N 3.31Å
104	I	67.9	Low	61.3	Low	97 Å²	97	97.7 Å²	97.7	50%	0.497	51%	0.514	S	S	.	.	S	Bend	trans	-99	90	175.9	-54.7	167.8	0	0	0	106.6	A100 A101 N106	A100-I104 VanDerWaalsContact O-CB 3.29Å; A100-I104 WeakPolarHBondContact O-CB 3.23Å; A100-I104 VanDerWaalsContact O-CG1 3.26Å; A100-I104 WeakPolarHBondContact O-CG1 3.5Å; A100-I104 PolarHBondContact O-N 2.89Å; A101-I104 CarbonylContact O-C 3.58Å; I104-N106 PolarHBondContact O-N 2.98Å
105	E	55	Low	59.3	Low	181 Å²	181	96.1 Å²	96.1	85%	0.846	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	12.9	-173.8	-70.7	-174.3	154	0	0	117.9
106	N	49.9	Very low	57	Low	150 Å²	150	96.4 Å²	96.4	80%	0.802	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.7	18.9	-170.9	-79.2	-40.9	0	0	0	116.4	I104	I104-N106 PolarHBondContact O-N 2.98Å
107	I	46.2	Very low	54.9	Low	85 Å²	85	94.5 Å²	94.5	44%	0.436	50%	0.496	S	S	.	.			trans	-110.7	98.2	167.3	-55.9	178.2	0	0	0	107.7	A101 S109	A101-I107 HydrophobicContact CB-CB 4.34Å; I107-S109 VanDerWaalsContact C-N 3.34Å; I107-S109 PolarHBondContact O-N 2.99Å
108	E	44.4	Very low	53.2	Low	141 Å²	141	95 Å²	95	66%	0.659	51%	0.506	S	S	*	.			trans	-52.7	109.2	154.4	-68.1	-167.3	130.8	0	0	105.6	D110 R112	E108-D110 PolarHBondContact O-N 3.18Å; E108-R112 IonicContact OE1-CZ 3.31Å; E108-R112 IonicContact OE1-NH2 3.78Å; E108-R112 PolarHBondContact OE1-NH2 2.75Å
109	S	47.8	Very low	51.6	Low	25 Å²	25	97.2 Å²	97.2	18%	0.175	52%	0.515	C	S	.	.			trans	-57.7	114.1	172.2	41	0	0	0	0	107	I107 I111 R112	I107-S109 VanDerWaalsContact C-N 3.34Å; I107-S109 PolarHBondContact O-N 2.99Å; S109-I111 PolarHBondContact O-N 3Å; S109-R112 PolarHBondContact O-N 3Å
110	D	45.2	Very low	50.4	Low	166 Å²	166	96.7 Å²	96.7	89%	0.888	52%	0.519	S	S	*	.	S	Bend	trans	-54.3	-14.1	178.1	-81.3	-30.8	0	0	0	112.2	E108 R112	E108-D110 PolarHBondContact O-N 3.18Å; D110-R112 VanDerWaalsContact C-N 3.33Å; D110-R112 PolarHBondContact O-N 3.29Å
111	I	46.9	Very low	49.6	Very low	59 Å²	59	96.6 Å²	96.6	30%	0.303	51%	0.513	S	S	.	.			trans	-93.6	62	178.2	-49.4	177.6	0	0	0	109.4	S109 I113 P288	S109-I111 PolarHBondContact O-N 3Å; I111-I113 HydrophobicContact CG2-CD1 3.76Å; I111-I113 HydrophobicContact CG2-CG1 3.65Å; I111-I113 PolarHBondContact O-N 2.97Å; I111-P288 VanDerWaalsContact O-CG 3.28Å; I111-P288 WeakPolarHBondContact O-CG 3.42Å
112	R	41.1	Very low	49.7	Very low	175 Å²	175	98.8 Å²	98.8	66%	0.66	53%	0.525	S	S	*	.			trans	-74.4	79.5	156.4	-69.9	-169.8	-171.2	171.1	10.1	108.2	E108 S109 D110 S114	E108-R112 IonicContact OE1-CZ 3.31Å; E108-R112 IonicContact OE1-NH2 3.78Å; E108-R112 PolarHBondContact OE1-NH2 2.75Å; S109-R112 PolarHBondContact O-N 3Å; D110-R112 VanDerWaalsContact C-N 3.33Å; D110-R112 PolarHBondContact O-N 3.29Å; R112-S114 VanDerWaalsContact C-N 3.26Å; R112-S114 PolarHBondContact O-N 3.17Å
113	I	43.3	Very low	50.1	Low	53 Å²	53	97.2 Å²	97.2	27%	0.272	51%	0.51	S	S	.	.			trans	-63.6	98.3	163.5	-63.4	162.7	0	0	0	105.8	I111 S115 V122 P288	I111-I113 HydrophobicContact CG2-CD1 3.76Å; I111-I113 HydrophobicContact CG2-CG1 3.65Å; I111-I113 PolarHBondContact O-N 2.97Å; I113-S115 PolarHBondContact O-N 3.24Å; I113-V122 HydrophobicContact CG2-CG2 3.97Å; I113-P288 HydrophobicContact CB-CB 4.46Å
114	S	35.8	Very low	50.8	Low	96 Å²	96	90.6 Å²	90.6	67%	0.671	48%	0.48	S	S	*	.			trans	-68.1	82.6	169.7	60.7	0	0	0	0	107.4	R112 T116	R112-S114 VanDerWaalsContact C-N 3.26Å; R112-S114 PolarHBondContact O-N 3.17Å; S114-T116 PolarHBondContact O-N 3.2Å
115	S	37.3	Very low	51.8	Low	21 Å²	21	86.8 Å²	86.8	15%	0.147	46%	0.461	C	S	.	.			trans	-74.8	70.1	177.2	68.2	0	0	0	0	109.5	I113 D117 R291	I113-S115 PolarHBondContact O-N 3.24Å; S115-D117 VanDerWaalsContact C-N 3.28Å; S115-R291 WeakPolarHBondContact OG-CD 3.27Å; S115-R291 PolarHBondContact OG-NH1 3.38Å
116	T	32.5	Very low	53.3	Low	110 Å²	110	79.3 Å²	79.3	68%	0.675	43%	0.429	S	S	*	.	S	Bend	trans	-75.7	-24.9	163.5	42.5	0	0	0	0	110.8	S114	S114-T116 PolarHBondContact O-N 3.2Å
117	D	33.9	Very low	55	Low	93 Å²	93	78.8 Å²	78.8	50%	0.497	43%	0.426	S	S	.	.			trans	-126	106.6	174	-71.5	-49.7	0	0	0	110.8	S115 Q119 S120	S115-D117 VanDerWaalsContact C-N 3.28Å; D117-Q119 PolarHBondContact O-N 3.4Å; D117-S120 PolarHBondContact O-N 3.43Å; D117-S120 PolarHBondContact O-OG 3.46Å
118	T	39.7	Very low	56.9	Low	109 Å²	109	79.1 Å²	79.1	67%	0.669	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-4.6	164.8	47	0	0	0	0	112.8
119	Q	43.9	Very low	59.2	Low	85 Å²	85	73.5 Å²	73.5	40%	0.397	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-25.1	-179.1	-65.6	-178.4	-27.4	0	0	113.4	D117 L121	D117-Q119 PolarHBondContact O-N 3.4Å; Q119-L121 PolarHBondContact O-N 3.08Å
120	S	51.5	Low	61.4	Low	72 Å²	72	75.2 Å²	75.2	50%	0.503	41%	0.412	S	S	.	.	S	Bend	trans	-78.5	105	173.9	60.5	0	0	0	0	109	D117 V122	D117-S120 PolarHBondContact O-N 3.43Å; D117-S120 PolarHBondContact O-OG 3.46Å; S120-V122 PolarHBondContact O-N 3.02Å
121	L	60.2	Low	63.8	Low	35 Å²	35	67.6 Å²	67.6	18%	0.183	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-58.1	123.6	173.2	-64.5	168.7	0	0	0	108.6	Q119 Y406 R407	Q119-L121 PolarHBondContact O-N 3.08Å; L121-Y406 HydrophobicContact CB-CD1 3.36Å; L121-Y406 HydrophobicContact CB-CE1 3.52Å; L121-Y406 HydrophobicContact CB-CG 4.42Å; L121-Y406 HydrophobicContact CD1-CD1 3.75Å; L121-Y406 HydrophobicContact CD1-CE1 4.4Å; L121-Y406 HydrophobicContact CD1-CG 4.01Å; L121-Y406 HydrophobicContact CG-CD1 4.18Å; L121-Y406 WeakPolarHBondContact O-CE1 3.45Å; L121-R407 HydrophobicContact CD2-CG 4.46Å
122	V	74.4	Confident	66.2	Low	61 Å²	61	66.1 Å²	66.1	37%	0.37	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-84.4	130.8	175.8	-178.3	0	0	0	0	108.7	I113 S120 L124 R407	I113-V122 HydrophobicContact CG2-CG2 3.97Å; S120-V122 PolarHBondContact O-N 3.02Å; V122-L124 HydrophobicContact CG1-CD2 4.05Å; V122-R407 WeakPolarHBondContact O-CG 3.46Å
123	H	82.9	Confident	68.9	Low	73 Å²	73	57.8 Å²	57.8	34%	0.338	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-77.9	125.8	172.8	-159.2	-13.1	0	0	0	109.7	T125 R407 T409	H123-T125 VanDerWaalsContact CE1-CG2 3.43Å; H123-T125 WeakPolarHBondContact CE1-CG2 3.21Å; H123-T125 PolarHBondContact CE1-OG1 2.86Å; H123-T125 PolarHBondContact ND1-N 3.5Å; H123-T125 PolarHBondContact ND1-OG1 3.23Å; H123-T125 PolarHBondContact NE2-OG1 2.84Å; H123-R407 PolarHBondContact ND1-O 3.37Å; H123-T409 VanDerWaalsContact CE1-C 3.46Å; H123-T409 PolarHBondContact CE1-O 3.19Å; H123-T409 PolarHBondContact NE2-O 3.22Å
124	L	87.5	Confident	71.5	Confident	16 Å²	16	58.2 Å²	58.2	8%	0.084	33%	0.332	C	S	.	.			trans	-110	3.3	-175.8	-60.2	176.7	0	0	0	113.4	M89 L91 V122 R407 Y408	M89-L124 HydrophobicContact CE-CB 3.87Å; M89-L124 WeakPolarHBondContact CE-O 3.36Å; L91-L124 HydrophobicContact CB-CD2 4.5Å; L91-L124 WeakPolarHBondContact CB-O 3.25Å; V122-L124 HydrophobicContact CG1-CD2 4.05Å; L124-R407 HydrophobicContact CD1-CB 4.48Å; L124-R407 PolarHBondContact N-O 2.84Å; L124-Y408 HydrophobicContact CD1-CE1 3.87Å
125	T	87.7	Confident	74.3	Confident	16 Å²	16	54.5 Å²	54.5	10%	0.098	31%	0.305	C	S	.	.			trans	-81.2	137.8	179	66.5	0	0	0	0	111.2	M89 H123 D129 Y408	M89-T125 HydrophobicContact CE-CG2 3.93Å; H123-T125 VanDerWaalsContact CE1-CG2 3.43Å; H123-T125 WeakPolarHBondContact CE1-CG2 3.21Å; H123-T125 PolarHBondContact CE1-OG1 2.86Å; H123-T125 PolarHBondContact ND1-N 3.5Å; H123-T125 PolarHBondContact ND1-OG1 3.23Å; H123-T125 PolarHBondContact NE2-OG1 2.84Å; T125-D129 WeakPolarHBondContact CA-OD2 3.39Å; T125-Y408 WeakPolarHBondContact CG2-O 3.2Å
126	S	87.8	Confident	76.9	Confident	25 Å²	25	57.7 Å²	57.7	18%	0.175	32%	0.317	C	S	.	.			trans	-114.1	157.9	169.2	-171.3	0	0	0	0	110.4	D128 D129	S126-D128 PolarHBondContact O-N 3.27Å; S126-D128 PolarHBondContact OG-N 3.31Å; S126-D129 WeakPolarHBondContact CB-OD1 3.11Å; S126-D129 VanDerWaalsContact N-CG 3.31Å; S126-D129 PolarHBondContact N-OD1 2.82Å; S126-D129 PolarHBondContact N-OD2 3.01Å; S126-D129 WeakPolarHBondContact O-CB 3.18Å; S126-D129 PolarHBondContact O-N 2.77Å
127	D	84.9	Confident	79.7	Confident	138 Å²	138	58.2 Å²	58.2	74%	0.738	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-15	166.8	-66.2	-27.9	0	0	0	111.8	D129 K410	D127-D129 VanDerWaalsContact C-N 3.33Å; D127-K410 IonicContact OD1-NZ 2.78Å; D127-K410 PolarHBondContact OD1-NZ 2.88Å
128	D	87.4	Confident	82.6	Confident	92 Å²	92	58.1 Å²	58.1	49%	0.492	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-0.5	173.6	-57.9	-43.3	0	0	0	113.7	R90 S126	R90-D128 WeakPolarHBondContact CD-OD2 3.28Å; R90-D128 IonicContact CZ-OD2 2.9Å; R90-D128 IonicContact NE-OD2 3.5Å; R90-D128 IonicContact NH1-OD2 2.77Å; R90-D128 PolarHBondContact NH1-OD2 2.88Å; S126-D128 PolarHBondContact O-N 3.27Å; S126-D128 PolarHBondContact OG-N 3.31Å
129	D	91.9	Very high	85.3	Confident	24 Å²	24	58.9 Å²	58.9	13%	0.128	31%	0.307	C	S	.	.			trans	-64.7	137.4	-177.9	-68.9	-12.8	0	0	0	110.7	K87 E88 M89 R90 T125 S126 D127	K87-D129 VanDerWaalsContact CE-OD2 3.28Å; K87-D129 WeakPolarHBondContact CE-OD2 3.23Å; K87-D129 HydrophobicContact CG-CB 4.46Å; K87-D129 IonicContact NZ-OD2 3.49Å; E88-D129 WeakPolarHBondContact O-CA 3.34Å; M89-D129 WeakPolarHBondContact CA-OD1 3.32Å; R90-D129 PolarHBondContact N-OD1 2.93Å; R90-D129 VanDerWaalsContact N-OD1 3.1Å; T125-D129 WeakPolarHBondContact CA-OD2 3.39Å; S126-D129 WeakPolarHBondContact CB-OD1 3.11Å; S126-D129 VanDerWaalsContact N-CG 3.31Å; S126-D129 PolarHBondContact N-OD1 2.82Å; S126-D129 PolarHBondContact N-OD2 3.01Å; S126-D129 WeakPolarHBondContact O-CB 3.18Å; S126-D129 PolarHBondContact O-N 2.77Å; D127-D129 VanDerWaalsContact C-N 3.33Å
130	V	93.5	Very high	87.9	Confident	60 Å²	60	55.2 Å²	55.2	36%	0.364	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	134.3	-177.1	-175.2	0	0	0	0	110	E88 F132	E88-V130 HydrophobicContact CB-CB 4.45Å; E88-V130 PolarHBondContact N-O 2.96Å; E88-V130 PolarHBondContact O-N 3.16Å; V130-F132 HydrophobicContact CB-CE2 4.05Å; V130-F132 HydrophobicContact CG1-CD2 4.19Å; V130-F132 HydrophobicContact CG1-CE2 3.54Å; V130-F132 HydrophobicContact CG1-CZ 3.82Å
131	L	95.5	Very high	90.1	Very high	6 Å²	6	52.9 Å²	52.9	3%	0.031	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	135.1	175.8	-73.1	173.9	0	0	0	111.1	K87 L142 F144 P154 L157	K87-L131 HydrophobicContact CB-CD2 3.69Å; K87-L131 HydrophobicContact CD-CD2 4.12Å; K87-L131 HydrophobicContact CG-CD2 3.72Å; L131-L142 HydrophobicContact CB-CB 4.21Å; L131-L142 HydrophobicContact CB-CD1 4.45Å; L131-L142 PolarHBondContact O-N 3.33Å; L131-F144 HydrophobicContact CD1-CE2 3.79Å; L131-F144 HydrophobicContact CD1-CZ 3.91Å; L131-P154 HydrophobicContact CD1-CB 3.69Å; L131-L157 HydrophobicContact CD1-CB 4.08Å; L131-L157 HydrophobicContact CD1-CD1 3.64Å; L131-L157 HydrophobicContact CD1-CG 4.41Å; L131-L157 HydrophobicContact CD2-CB 4.19Å
132	F	97.2	Very high	91.8	Very high	28 Å²	28	52 Å²	52	12%	0.123	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	153.6	170.4	-63.9	-92.6	0	0	0	109.8	L85 F86 E88 V130 R139 I140 A141	L85-F132 WeakPolarHBondContact CA-O 3.28Å; F86-F132 HydrophobicContact CB-CB 4.31Å; F86-F132 HydrophobicContact CD1-CB 4.29Å; F86-F132 AromaticContact CD1-CD2 3.93Å; F86-F132 HydrophobicContact CD1-CD2 3.93Å; F86-F132 HydrophobicContact CD1-CG 4.44Å; F86-F132 HydrophobicContact CE1-CD2 4.45Å; F86-F132 PolarHBondContact N-O 2.97Å; F86-F132 PolarHBondContact O-N 2.94Å; E88-F132 HydrophobicContact CB-CE2 4.19Å; V130-F132 HydrophobicContact CB-CE2 4.05Å; V130-F132 HydrophobicContact CG1-CD2 4.19Å; V130-F132 HydrophobicContact CG1-CE2 3.54Å; V130-F132 HydrophobicContact CG1-CZ 3.82Å; F132-R139 HydrophobicContact CD1-CG 4.25Å; F132-I140 CarbonylContact C-O 3.47Å; F132-I140 WeakPolarHBondContact CA-O 3.48Å; F132-A141 HydrophobicContact CD1-CB 4.09Å; F132-A141 HydrophobicContact CE1-CB 3.87Å
133	L	97.9	Very high	92.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128	166.2	-166.8	76.4	0	0	0	108.8	L70 I81 L85 R139 I140 L142 V163	L70-L133 WeakPolarHBondContact CD1-O 3.47Å; I81-L133 HydrophobicContact CB-CD2 4.18Å; I81-L133 HydrophobicContact CD1-CD2 3.48Å; I81-L133 VanDerWaalsContact CD1-CD2 3.48Å; I81-L133 HydrophobicContact CG1-CD2 3.58Å; L85-L133 HydrophobicContact CD2-CD1 3.78Å; L85-L133 HydrophobicContact CG-CD1 4.29Å; L133-R139 CarbonylContact O-C 3.56Å; L133-R139 WeakPolarHBondContact O-CA 3.42Å; L133-I140 HydrophobicContact CB-CG2 4.24Å; L133-I140 PolarHBondContact N-O 3.3Å; L133-I140 PolarHBondContact O-N 2.92Å; L133-L142 HydrophobicContact CB-CD1 4.2Å; L133-L142 HydrophobicContact CB-CD2 3.94Å; L133-L142 HydrophobicContact CB-CG 4.21Å; L133-V163 HydrophobicContact CD1-CG1 3.54Å
134	E	97.2	Very high	93	Very high	63 Å²	63	49.2 Å²	49.2	29%	0.294	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	128	-179	-48.1	-166.2	146.1	0	0	110.4	G83 T84 F86 Q138 R139	G83-E134 CarbonylContact C-O 3.18Å; G83-E134 WeakPolarHBondContact CA-O 3.17Å; T84-E134 PolarHBondContact N-O 3.25Å; T84-E134 PolarHBondContact O-N 3.12Å; F86-E134 HydrophobicContact CB-CG 3.97Å; E134-Q138 WeakPolarHBondContact CA-O 3.39Å; E134-R139 HydrophobicContact CB-CB 4.39Å; E134-R139 HydrophobicContact CG-CB 3.8Å
135	D	95.1	Very high	92.6	Very high	17 Å²	17	50.7 Å²	50.7	9%	0.091	27%	0.269	C	S	.	.			trans	-98.2	-157.5	167.9	74.6	-0	0	0	0	110.6	L70 V137 Q138	L70-D135 VanDerWaalsContact CB-OD2 3.22Å; L70-D135 WeakPolarHBondContact CB-OD2 3.36Å; L70-D135 HydrophobicContact CD1-CB 3.91Å; L70-D135 HydrophobicContact CG-CB 3.93Å; L70-D135 WeakPolarHBondContact CG-OD2 3.39Å; L70-D135 PolarHBondContact N-OD2 3.25Å; D135-V137 PolarHBondContact O-N 2.96Å; D135-V137 PolarHBondContact OD1-N 2.82Å; D135-Q138 PolarHBondContact N-O 3.05Å; D135-Q138 PolarHBondContact OD1-N 3.3Å
136	E	92.5	Very high	91.9	Very high	88 Å²	88	54.1 Å²	54.1	41%	0.411	29%	0.294	S	S	.	.	S	Bend	trans	-70.1	-17.4	179.2	-61.1	91.3	161.6	0	0	114.3	L35 L38 K42	L35-E136 HydrophobicContact CD2-CB 4.5Å; L35-E136 HydrophobicContact CD2-CG 4.37Å; L38-E136 HydrophobicContact CD2-CG 4.16Å; K42-E136 VanDerWaalsContact NZ-CD 3.27Å; K42-E136 IonicContact NZ-OE1 3.48Å; K42-E136 PolarHBondContact NZ-OE1 3.32Å; K42-E136 IonicContact NZ-OE2 2.71Å; K42-E136 PolarHBondContact NZ-OE2 3.45Å
137	V	92.1	Very high	90.9	Very high	122 Å²	122	60 Å²	60	74%	0.739	32%	0.318	S	S	*	.	S	Bend	trans	-124.8	-40.6	-167	-176.4	0	0	0	0	112.5	D135	D135-V137 PolarHBondContact O-N 2.96Å; D135-V137 PolarHBondContact OD1-N 2.82Å
138	Q	94.3	Very high	90.2	Very high	91 Å²	91	54.5 Å²	54.5	43%	0.425	29%	0.288	S	S	.	.			trans	-147.1	-176.8	-171	67.8	-177.4	22.6	0	0	112.7	L70 E134 D135	L70-Q138 HydrophobicContact CB-CG 3.67Å; L70-Q138 HydrophobicContact CD1-CG 4.16Å; L70-Q138 PolarHBondContact O-NE2 3.35Å; E134-Q138 WeakPolarHBondContact CA-O 3.39Å; D135-Q138 PolarHBondContact N-O 3.05Å; D135-Q138 PolarHBondContact OD1-N 3.3Å
139	R	96.3	Very high	89	Confident	124 Å²	124	52.7 Å²	52.7	47%	0.468	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	151.1	177.3	71.5	-177.4	-174.4	170.7	6.5	111.5	F132 L133 E134	F132-R139 HydrophobicContact CD1-CG 4.25Å; L133-R139 CarbonylContact O-C 3.56Å; L133-R139 WeakPolarHBondContact O-CA 3.42Å; E134-R139 HydrophobicContact CB-CB 4.39Å; E134-R139 HydrophobicContact CG-CB 3.8Å
140	I	97.7	Very high	87.7	Confident	8 Å²	8	60.2 Å²	60.2	4%	0.041	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	143.4	174.8	-165.6	162.6	0	0	0	110	L70 L73 I81 F132 L133 L142 E169 G175 F177	L70-I140 HydrophobicContact CD1-CB 4.45Å; L70-I140 HydrophobicContact CD1-CG2 4.14Å; L70-I140 HydrophobicContact CD2-CB 4.4Å; L70-I140 HydrophobicContact CD2-CG2 3.69Å; L73-I140 HydrophobicContact CD1-CD1 3.64Å; I81-I140 HydrophobicContact CD1-CG2 4.27Å; F132-I140 CarbonylContact C-O 3.47Å; F132-I140 WeakPolarHBondContact CA-O 3.48Å; L133-I140 HydrophobicContact CB-CG2 4.24Å; L133-I140 PolarHBondContact N-O 3.3Å; L133-I140 PolarHBondContact O-N 2.92Å; I140-L142 HydrophobicContact CG2-CD2 4.5Å; I140-E169 HydrophobicContact CD1-CG 4.43Å; I140-G175 WeakPolarHBondContact CG1-O 3.29Å; I140-F177 HydrophobicContact CD1-CB 3.95Å; I140-F177 HydrophobicContact CG1-CB 4.2Å; I140-F177 HydrophobicContact CG2-CB 4.19Å
141	A	97.3	Very high	86.4	Confident	24 Å²	24	61 Å²	61	20%	0.198	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	145.2	175.2	0	0	0	0	0	110.2	F132 G175 S176 F177	F132-A141 HydrophobicContact CD1-CB 4.09Å; F132-A141 HydrophobicContact CE1-CB 3.87Å; A141-G175 PolarHBondContact N-O 3.3Å; A141-G175 VanDerWaalsContact N-O 3.13Å; A141-S176 WeakPolarHBondContact O-CA 3.47Å; A141-F177 PolarHBondContact O-N 3.39Å
142	L	95.9	Very high	85.2	Confident	17 Å²	17	60.9 Å²	60.9	9%	0.089	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.2	177	-61.3	-174.6	0	0	0	110.6	L85 L131 L133 I140 F144 F177 V179	L85-L142 HydrophobicContact CD2-CD1 3.59Å; L131-L142 HydrophobicContact CB-CB 4.21Å; L131-L142 HydrophobicContact CB-CD1 4.45Å; L131-L142 PolarHBondContact O-N 3.33Å; L133-L142 HydrophobicContact CB-CD1 4.2Å; L133-L142 HydrophobicContact CB-CD2 3.94Å; L133-L142 HydrophobicContact CB-CG 4.21Å; I140-L142 HydrophobicContact CG2-CD2 4.5Å; L142-F144 HydrophobicContact CB-CE2 3.94Å; L142-F144 HydrophobicContact CB-CZ 4.28Å; L142-F144 HydrophobicContact CD1-CZ 4.4Å; L142-F177 HydrophobicContact CD2-CB 4.05Å; L142-F177 HydrophobicContact CD2-CD1 4.35Å; L142-V179 HydrophobicContact CB-CG2 4.27Å; L142-V179 HydrophobicContact CD2-CG2 3.93Å; L142-V179 HydrophobicContact CG-CG2 4.49Å
143	S	93	Very high	84.3	Confident	36 Å²	36	61.7 Å²	61.7	25%	0.252	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	138.7	171.6	60.4	0	0	0	0	109.2	S176 F177 C178 V179	S143-S176 PolarHBondContact OG-OG 3.48Å; S143-F177 PolarHBondContact N-O 3.09Å; S143-F177 PolarHBondContact OG-O 2.93Å; S143-C178 WeakPolarHBondContact OG-CA 3.01Å; S143-V179 PolarHBondContact O-N 3.06Å
144	F	89.6	Confident	83.5	Confident	39 Å²	39	63.5 Å²	63.5	17%	0.171	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.2	-173.7	-65.9	-96.4	0	0	0	110.2	L131 L142 I148 W152 P154 L157 V179 M182	L131-F144 HydrophobicContact CD1-CE2 3.79Å; L131-F144 HydrophobicContact CD1-CZ 3.91Å; L142-F144 HydrophobicContact CB-CE2 3.94Å; L142-F144 HydrophobicContact CB-CZ 4.28Å; L142-F144 HydrophobicContact CD1-CZ 4.4Å; F144-I148 HydrophobicContact CD1-CG2 4.43Å; F144-W152 HydrophobicContact CE1-CB 4.41Å; F144-P154 HydrophobicContact CD2-CG 3.82Å; F144-P154 HydrophobicContact CE2-CB 4.37Å; F144-P154 HydrophobicContact CE2-CG 4.03Å; F144-P154 HydrophobicContact CG-CG 4.28Å; F144-L157 HydrophobicContact CZ-CD1 4.15Å; F144-V179 HydrophobicContact CD1-CB 4.11Å; F144-V179 HydrophobicContact CD1-CG1 4.25Å; F144-V179 HydrophobicContact CE1-CB 4.24Å; F144-V179 HydrophobicContact CE1-CG1 4.15Å; F144-V179 HydrophobicContact CE1-CG2 4.42Å; F144-M182 HydrophobicContact CE1-SD 3.59Å; F144-M182 VanDerWaalsContact CE1-SD 3.59Å; F144-M182 HydrophobicContact CZ-SD 4.11Å
145	C	78.8	Confident	83	Confident	46 Å²	46	61 Å²	61	31%	0.311	33%	0.326	S	S	.	.			trans	-65.1	151	172.5	-56.7	0	0	0	0	110.9	Q147 I148 S149 C178	C145-Q147 PolarHBondContact O-N 3.43Å; C145-Q147 VanDerWaalsContact O-N 3.08Å; C145-I148 HydrophobicContact CB-CD1 4.02Å; C145-I148 PolarHBondContact O-N 2.96Å; C145-S149 PolarHBondContact O-N 3.2Å; C145-S149 VanDerWaalsContact O-N 3.07Å; C145-C178 PolarHBondContact SG-SG 2.63Å
146	S	73.3	Confident	82.9	Confident	89 Å²	89	61.7 Å²	61.7	62%	0.622	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-30.4	-173.8	59.7	0	0	0	0	115.1	I148	S146-I148 VanDerWaalsContact C-N 3.33Å
147	Q	68.4	Low	83	Confident	147 Å²	147	57.7 Å²	57.7	69%	0.687	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-31.9	177.6	-62.2	-60	-29.9	0	0	112.4	C145	C145-Q147 PolarHBondContact O-N 3.43Å; C145-Q147 VanDerWaalsContact O-N 3.08Å
148	I	68.9	Low	83.2	Confident	23 Å²	23	52 Å²	52	12%	0.118	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-29.2	-171.3	-64.1	147.4	0	0	0	111.3	F144 C145 S146 K150 L151 W152 V179 E180	F144-I148 HydrophobicContact CD1-CG2 4.43Å; C145-I148 HydrophobicContact CB-CD1 4.02Å; C145-I148 PolarHBondContact O-N 2.96Å; S146-I148 VanDerWaalsContact C-N 3.33Å; I148-K150 PolarHBondContact O-N 3.24Å; I148-L151 WeakPolarHBondContact O-CA 3.44Å; I148-L151 WeakPolarHBondContact O-CB 3.08Å; I148-L151 PolarHBondContact O-N 2.78Å; I148-W152 HydrophobicContact CG2-CB 4.49Å; I148-W152 HydrophobicContact CG2-CG 4.21Å; I148-W152 PolarHBondContact O-N 2.9Å; I148-V179 VanDerWaalsContact CD1-O 3.29Å; I148-V179 WeakPolarHBondContact CD1-O 3.29Å; I148-E180 HydrophobicContact CD1-CB 4.4Å; I148-E180 WeakPolarHBondContact CD1-O 2.96Å; I148-E180 VanDerWaalsContact CG1-O 3.29Å; I148-E180 WeakPolarHBondContact CG1-O 3.21Å
149	S	61.9	Low	83.2	Confident	54 Å²	54	48.2 Å²	48.2	38%	0.378	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-24.7	172.6	175.1	0	0	0	0	112.9	C145 W152	C145-S149 PolarHBondContact O-N 3.2Å; C145-S149 VanDerWaalsContact O-N 3.07Å; S149-W152 CarbonylContact O-C 3.58Å
150	K	64.9	Low	83.2	Confident	183 Å²	183	42.3 Å²	42.3	80%	0.796	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-32.2	172	-65.5	-176.5	-179.2	178.7	0	113.6	I148	I148-K150 PolarHBondContact O-N 3.24Å
151	L	66.8	Low	83.2	Confident	76 Å²	76	42 Å²	42	40%	0.398	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-42.1	-177.9	-168.4	65.6	0	0	0	111.7	I148 W486 N487	I148-L151 WeakPolarHBondContact O-CA 3.44Å; I148-L151 WeakPolarHBondContact O-CB 3.08Å; I148-L151 PolarHBondContact O-N 2.78Å; L151-W486 PolarHBondContact O-NE1 2.95Å; L151-N487 WeakPolarHBondContact CD1-OD1 3.38Å
152	W	70.6	Confident	83.2	Confident	4 Å²	4	41.1 Å²	41.1	2%	0.015	23%	0.228	C	C	.	.	S	Bend	trans	-114.3	90.6	175.7	-51.3	125.2	0	0	0	107.9	F144 I148 S149 P154 M182 F184 W486	F144-W152 HydrophobicContact CE1-CB 4.41Å; I148-W152 HydrophobicContact CG2-CB 4.49Å; I148-W152 HydrophobicContact CG2-CG 4.21Å; I148-W152 PolarHBondContact O-N 2.9Å; S149-W152 CarbonylContact O-C 3.58Å; W152-P154 WeakPolarHBondContact O-CD 3.22Å; W152-M182 HydrophobicContact CD2-CB 4.35Å; W152-M182 HydrophobicContact CG-SD 4.36Å; W152-M182 HydrophobicContact CZ2-CB 4.19Å; W152-M182 VanDerWaalsContact CZ2-O 3.28Å; W152-M182 WeakPolarHBondContact CZ2-O 3.48Å; W152-F184 HydrophobicContact CD2-CE2 4.47Å; W152-F184 AromaticContact CE3-CE2 3.74Å; W152-F184 HydrophobicContact CE3-CE2 3.74Å; W152-F184 HydrophobicContact CE3-CZ 4.34Å; W152-F184 AromaticContact CH2-CD2 3.78Å; W152-F184 HydrophobicContact CH2-CD2 3.78Å; W152-F184 AromaticContact CH2-CE2 3.46Å; W152-F184 HydrophobicContact CH2-CE2 3.46Å; W152-F184 VanDerWaalsContact CH2-CE2 3.46Å; W152-F184 HydrophobicContact CZ2-CE2 4.24Å; W152-F184 AromaticContact CZ3-CD2 3.79Å; W152-F184 HydrophobicContact CZ3-CD2 3.79Å; W152-F184 AromaticContact CZ3-CE2 3.15Å; W152-F184 HydrophobicContact CZ3-CE2 3.15Å; W152-F184 HydrophobicContact CZ3-CZ 4.11Å; W152-W486 AromaticContact CE3-CD1 3.94Å; W152-W486 HydrophobicContact CE3-CD2 4.18Å; W152-W486 AromaticContact CE3-CE2 3.73Å; W152-W486 HydrophobicContact CE3-CG 4.31Å; W152-W486 HydrophobicContact CE3-CZ2 4.16Å; W152-W486 AromaticContact CE3-NE1 3.55Å; W152-W486 HydrophobicContact CH2-CB 3.64Å; W152-W486 AromaticContact CH2-CD1 3.44Å; W152-W486 VanDerWaalsContact CH2-CD1 3.44Å; W152-W486 AromaticContact CH2-CD2 3.86Å; W152-W486 HydrophobicContact CH2-CD2 3.86Å; W152-W486 AromaticContact CH2-CG 3.36Å; W152-W486 HydrophobicContact CH2-CG 3.36Å; W152-W486 AromaticContact CH2-NE1 3.93Å; W152-W486 HydrophobicContact CZ2-CG 4.48Å; W152-W486 HydrophobicContact CZ3-CB 4.03Å; W152-W486 AromaticContact CZ3-CD1 3.25Å; W152-W486 AromaticContact CZ3-CD2 3.25Å; W152-W486 HydrophobicContact CZ3-CD2 3.25Å; W152-W486 AromaticContact CZ3-CE2 3.28Å; W152-W486 AromaticContact CZ3-CE3 3.9Å; W152-W486 HydrophobicContact CZ3-CE3 3.9Å; W152-W486 AromaticContact CZ3-CG 3.26Å; W152-W486 HydrophobicContact CZ3-CG 3.26Å; W152-W486 AromaticContact CZ3-CZ2 4Å; W152-W486 HydrophobicContact CZ3-CZ2 4Å; W152-W486 AromaticContact CZ3-NE1 3.24Å
153	S	78.2	Confident	83.2	Confident	44 Å²	44	40.3 Å²	40.3	31%	0.308	22%	0.224	S	C	.	.			trans	-66.1	116.4	168.1	177.3	0	0	0	0	108	A155 N156	S153-A155 PolarHBondContact O-N 3.07Å; S153-A155 VanDerWaalsContact O-N 3.07Å; S153-A155 PolarHBondContact OG-N 3.2Å; S153-N156 PolarHBondContact O-N 3.43Å
154	P	80.7	Confident	83.4	Confident	38 Å²	38	38.6 Å²	38.6	25%	0.247	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-54.2	-30.7	176.1	-28.2	39.1	0	0	0	112	L131 F144 W152 N156 L157	L131-P154 HydrophobicContact CD1-CB 3.69Å; F144-P154 HydrophobicContact CD2-CG 3.82Å; F144-P154 HydrophobicContact CE2-CB 4.37Å; F144-P154 HydrophobicContact CE2-CG 4.03Å; F144-P154 HydrophobicContact CG-CG 4.28Å; W152-P154 WeakPolarHBondContact O-CD 3.22Å; P154-N156 PolarHBondContact O-N 2.93Å; P154-L157 PolarHBondContact O-N 3.28Å
155	A	87.6	Confident	83.8	Confident	11 Å²	11	36.7 Å²	36.7	9%	0.091	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-62.6	-24.1	177.1	0	0	0	0	0	113.3	K87 S153 T409 K410	K87-A155 PolarHBondContact NZ-O 3.14Å; S153-A155 PolarHBondContact O-N 3.07Å; S153-A155 VanDerWaalsContact O-N 3.07Å; S153-A155 PolarHBondContact OG-N 3.2Å; A155-T409 VanDerWaalsContact O-CA 3.31Å; A155-T409 WeakPolarHBondContact O-CA 3.41Å; A155-K410 HydrophobicContact CB-CD 3.69Å; A155-K410 HydrophobicContact CB-CG 3.87Å
156	N	92.3	Very high	84.6	Confident	32 Å²	32	35.1 Å²	35.1	17%	0.171	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-93.8	-1.9	179.6	-69.2	-14.7	0	0	0	114.2	S153 P154 T409 K410 L411 W424	S153-N156 PolarHBondContact O-N 3.43Å; P154-N156 PolarHBondContact O-N 2.93Å; N156-T409 WeakPolarHBondContact O-CG2 3.44Å; N156-K410 WeakPolarHBondContact OD1-CA 3.26Å; N156-K410 WeakPolarHBondContact OD1-CB 3.35Å; N156-K410 PolarHBondContact OD1-N 3.14Å; N156-L411 HydrophobicContact CB-CD2 4.49Å; N156-L411 HydrophobicContact CB-CG 4.44Å; N156-W424 WeakPolarHBondContact O-CZ2 3.31Å
157	L	94.4	Very high	85.6	Confident	4 Å²	4	30.9 Å²	30.9	2%	0.021	16%	0.163	C	C	.	.			trans	-88.2	154.2	172.1	-61.8	176.3	0	0	0	110.3	L85 K87 L131 F144 P154 M182 F184 W424	L85-L157 HydrophobicContact CD1-CB 4.18Å; L85-L157 HydrophobicContact CD1-CD1 4.13Å; L85-L157 HydrophobicContact CD1-CD2 4.11Å; L85-L157 HydrophobicContact CD1-CG 4.37Å; K87-L157 WeakPolarHBondContact CD-O 3.29Å; K87-L157 PolarHBondContact NZ-O 2.89Å; L131-L157 HydrophobicContact CD1-CB 4.08Å; L131-L157 HydrophobicContact CD1-CD1 3.64Å; L131-L157 HydrophobicContact CD1-CG 4.41Å; L131-L157 HydrophobicContact CD2-CB 4.19Å; F144-L157 HydrophobicContact CZ-CD1 4.15Å; P154-L157 PolarHBondContact O-N 3.28Å; L157-M182 HydrophobicContact CD1-CE 4.11Å; L157-M182 HydrophobicContact CD1-SD 4.18Å; L157-F184 HydrophobicContact CD2-CE1 4.13Å; L157-F184 HydrophobicContact CD2-CZ 3.73Å; L157-W424 HydrophobicContact CD2-CZ2 4.48Å
158	V	95.5	Very high	86.9	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.006	14%	0.143	C	C	.	.			trans	-138	160	-178.9	-58.6	0	0	0	0	111.7	V161 L405 T409 W424 P429 T430	V158-V161 HydrophobicContact CG2-CG2 3.73Å; V158-L405 HydrophobicContact CB-CD2 4.5Å; V158-L405 HydrophobicContact CG1-CD2 3.91Å; V158-L405 HydrophobicContact CG2-CD2 3.99Å; V158-T409 HydrophobicContact CG1-CG2 3.29Å; V158-W424 HydrophobicContact CB-CH2 4.41Å; V158-W424 HydrophobicContact CG1-CH2 4.13Å; V158-W424 HydrophobicContact CG2-CE3 4.43Å; V158-W424 HydrophobicContact CG2-CH2 3.55Å; V158-W424 HydrophobicContact CG2-CZ2 4.41Å; V158-W424 HydrophobicContact CG2-CZ3 3.57Å; V158-P429 HydrophobicContact CG2-CB 4.15Å; V158-P429 HydrophobicContact CG2-CG 3.69Å; V158-T430 HydrophobicContact CB-CG2 4.03Å; V158-T430 HydrophobicContact CG2-CG2 4.05Å
159	T	95.4	Very high	88.2	Confident	13 Å²	13	27.9 Å²	27.9	8%	0.08	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	139.1	171.7	-58.2	0	0	0	0	111.5	L85 F86 K87 P429 D433	L85-T159 CarbonylContact O-C 3.55Å; L85-T159 VanDerWaalsContact O-CA 3.29Å; L85-T159 WeakPolarHBondContact O-CA 3.43Å; F86-T159 HydrophobicContact CD2-CG2 3.92Å; K87-T159 PolarHBondContact N-OG1 2.73Å; T159-P429 CarbonylContact O-C 3.16Å; T159-D433 HydrophobicContact CG2-CB 4.48Å
160	G	95.9	Very high	89.8	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.3	-8.5	172.3	0	0	0	0	0	115.5	R37 L85	R37-G160 WeakPolarHBondContact CD-O 3.16Å; R37-G160 VanDerWaalsContact NH1-C 3.32Å; R37-G160 VanDerWaalsContact NH1-CA 3.28Å; R37-G160 PolarHBondContact NH1-O 3.25Å; L85-G160 PolarHBondContact O-N 3.22Å
161	V	97.1	Very high	91.2	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	13%	0.126	C	C	.	.			trans	-75.9	128.5	176.3	177.7	0	0	0	0	109.8	L85 V158 F184 W424 P429	L85-V161 HydrophobicContact CD1-CB 4.2Å; L85-V161 HydrophobicContact CD1-CG1 4.47Å; L85-V161 PolarHBondContact N-O 2.9Å; V158-V161 HydrophobicContact CG2-CG2 3.73Å; V161-F184 HydrophobicContact CG1-CD1 3.69Å; V161-F184 HydrophobicContact CG1-CE1 3.69Å; V161-W424 HydrophobicContact CB-CD2 4.48Å; V161-W424 HydrophobicContact CG1-CB 4.04Å; V161-W424 HydrophobicContact CG1-CD2 4.1Å; V161-W424 HydrophobicContact CG1-CG 3.69Å; V161-W424 HydrophobicContact CG2-CB 4.44Å; V161-W424 HydrophobicContact CG2-CD2 3.51Å; V161-W424 HydrophobicContact CG2-CE3 3.62Å; V161-W424 HydrophobicContact CG2-CG 3.94Å; V161-W424 HydrophobicContact CG2-CH2 4.32Å; V161-W424 HydrophobicContact CG2-CZ2 4.24Å; V161-W424 HydrophobicContact CG2-CZ3 4.03Å; V161-P429 HydrophobicContact CG2-CB 3.62Å; V161-P429 HydrophobicContact CG2-CG 4.04Å
162	V	97.9	Very high	92.5	Very high	5 Å²	5	26 Å²	26	3%	0.03	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	132	173.5	-170.2	0	0	0	0	109.4	R37 L38 A41 L45 I82 G83	R37-V162 HydrophobicContact CG-CG2 3.72Å; L38-V162 HydrophobicContact CD1-CG1 3.68Å; A41-V162 HydrophobicContact CB-CB 3.92Å; A41-V162 HydrophobicContact CB-CG1 3.82Å; A41-V162 HydrophobicContact CB-CG2 4.21Å; L45-V162 HydrophobicContact CD1-CB 4.26Å; L45-V162 HydrophobicContact CD1-CG1 3.61Å; I82-V162 HydrophobicContact CG2-CG1 4.31Å; G83-V162 WeakPolarHBondContact O-CA 3.28Å; G83-V162 WeakPolarHBondContact O-CG1 3.1Å
163	V	97.1	Very high	93.5	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	149.3	-173.6	69.4	0	0	0	0	111.1	I82 G83 L85 L133 M182 L183 F184	I82-V163 WeakPolarHBondContact CA-O 3.4Å; G83-V163 PolarHBondContact N-O 2.85Å; G83-V163 VanDerWaalsContact N-O 3.16Å; G83-V163 PolarHBondContact O-N 3.16Å; L85-V163 HydrophobicContact CD1-CG1 4.08Å; L85-V163 HydrophobicContact CD2-CG1 3.89Å; L85-V163 HydrophobicContact CG-CG1 3.75Å; L133-V163 HydrophobicContact CD1-CG1 3.54Å; V163-M182 HydrophobicContact CB-CE 4.1Å; V163-M182 HydrophobicContact CG1-CE 3.65Å; V163-M182 HydrophobicContact CG2-CB 4.07Å; V163-M182 HydrophobicContact CG2-CE 3.48Å; V163-M182 VanDerWaalsContact CG2-CE 3.48Å; V163-L183 VanDerWaalsContact CG2-O 3.27Å; V163-L183 WeakPolarHBondContact CG2-O 3.43Å; V163-F184 HydrophobicContact CB-CD1 4.26Å; V163-F184 HydrophobicContact CB-CE1 4.05Å; V163-F184 HydrophobicContact CG2-CD1 3.89Å; V163-F184 HydrophobicContact CG2-CE1 3.64Å; V163-F184 HydrophobicContact CG2-CE2 4.3Å; V163-F184 HydrophobicContact CG2-CG 4.4Å; V163-F184 HydrophobicContact CG2-CZ 3.86Å
164	A	97.2	Very high	94.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	130.2	162.6	0	0	0	0	0	109.1	L45 A49 W53 I80 I81 I82 M182 L183	L45-A164 HydrophobicContact CB-CB 4.31Å; A49-A164 HydrophobicContact CB-CB 4.1Å; W53-A164 HydrophobicContact CH2-CB 4.29Å; W53-A164 HydrophobicContact CZ3-CB 4.26Å; I80-A164 HydrophobicContact CG2-CB 4.37Å; I81-A164 CarbonylContact O-C 3.56Å; I81-A164 WeakPolarHBondContact O-CA 3.35Å; I82-A164 HydrophobicContact CG1-CB 3.94Å; A164-M182 CarbonylContact O-C 3.31Å; A164-M182 WeakPolarHBondContact O-CA 3.44Å; A164-L183 HydrophobicContact CB-CB 4.35Å; A164-L183 PolarHBondContact N-O 3.17Å; A164-L183 PolarHBondContact O-N 3.22Å
165	A	96.1	Very high	94.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129.8	176.1	0	0	0	0	0	109.9	I80 I81 F177 V179 D181	I80-A165 WeakPolarHBondContact CA-O 3.16Å; I81-A165 HydrophobicContact CG1-CB 3.98Å; I81-A165 PolarHBondContact N-O 3.13Å; I81-A165 PolarHBondContact O-N 2.98Å; A165-F177 HydrophobicContact CB-CE1 4.21Å; A165-V179 HydrophobicContact CB-CG1 4.41Å; A165-V179 HydrophobicContact CB-CG2 4.45Å; A165-D181 WeakPolarHBondContact CA-O 3.49Å
166	L	95.6	Very high	95.1	Very high	12 Å²	12	33.7 Å²	33.7	6%	0.063	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	135.9	168.5	175.5	66.8	0	0	0	108.4	W53 I65 K78 I80 E180 D181	W53-L166 HydrophobicContact CB-CD2 4.48Å; W53-L166 HydrophobicContact CD2-CB 3.89Å; W53-L166 HydrophobicContact CD2-CD2 4.05Å; W53-L166 HydrophobicContact CD2-CG 4.37Å; W53-L166 HydrophobicContact CE3-CB 3.91Å; W53-L166 HydrophobicContact CE3-CD1 4.45Å; W53-L166 HydrophobicContact CG-CD2 3.93Å; W53-L166 HydrophobicContact CH2-CB 3.73Å; W53-L166 HydrophobicContact CZ2-CB 3.73Å; W53-L166 HydrophobicContact CZ3-CB 3.81Å; I65-L166 HydrophobicContact CD1-CD1 3.99Å; I65-L166 HydrophobicContact CG2-CD1 3.82Å; K78-L166 HydrophobicContact CG-CD1 4.22Å; I80-L166 HydrophobicContact CG1-CD1 4.15Å; L166-E180 HydrophobicContact CD2-CB 4.49Å; L166-E180 HydrophobicContact CG-CB 4.36Å; L166-E180 PolarHBondContact O-N 3.23Å; L166-D181 HydrophobicContact CB-CB 4.24Å; L166-D181 HydrophobicContact CD2-CB 4.36Å; L166-D181 PolarHBondContact N-O 2.94Å; L166-D181 PolarHBondContact O-N 2.78Å
167	G	95.5	Very high	95.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.1	-155.4	179	0	0	0	0	0	112.5	K78 C79 F177 C178	K78-G167 CarbonylContact C-O 3.48Å; K78-G167 WeakPolarHBondContact CA-O 3.19Å; C79-G167 PolarHBondContact N-O 3.36Å; C79-G167 PolarHBondContact O-N 3.06Å; C79-G167 VanDerWaalsContact O-O 3.09Å; G167-F177 VanDerWaalsContact CA-CE1 3.49Å; G167-F177 VanDerWaalsContact CA-CZ 3.44Å; G167-C178 WeakPolarHBondContact CA-O 3.26Å
168	Y	95.8	Very high	95.4	Very high	71 Å²	71	32.7 Å²	32.7	28%	0.278	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	159.2	175.1	60.1	-80.4	0	0	0	110.2	E77 P170 C178	E77-Y168 WeakPolarHBondContact O-CB 3.42Å; Y168-P170 HydrophobicContact CD2-CG 4.09Å; Y168-P170 HydrophobicContact CE2-CB 4.19Å; Y168-P170 HydrophobicContact CE2-CG 3.77Å; Y168-C178 HydrophobicContact CD1-CB 4.49Å; Y168-C178 HydrophobicContact CE1-CB 4.21Å; Y168-C178 HydrophobicContact CE2-CB 4.42Å; Y168-C178 PolarHBondContact N-O 3.44Å; Y168-C178 WeakPolarHBondContact O-CB 3.45Å; Y168-C178 PolarHBondContact O-N 2.75Å
169	E	96.6	Very high	95.3	Very high	37 Å²	37	32.7 Å²	32.7	17%	0.173	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-94.9	113.2	169.1	-178.7	176.3	-168.1	0	0	108.9	L73 D76 I140 E171 P174 G175	L73-E169 WeakPolarHBondContact CB-OE2 3.46Å; D76-E169 PolarHBondContact N-O 2.87Å; I140-E169 HydrophobicContact CD1-CG 4.43Å; E169-E171 PolarHBondContact O-N 2.93Å; E169-P174 WeakPolarHBondContact OE1-CA 3.23Å; E169-G175 PolarHBondContact OE1-N 2.83Å
170	P	95.3	Very high	95.2	Very high	16 Å²	16	35.1 Å²	35.1	10%	0.104	20%	0.199	C	C	.	.			trans	-66.6	133.6	-179.5	-18	30.9	0	0	0	111.8	D76 Y168 S172 Q173 S176 C178	D76-P170 VanDerWaalsContact OD1-CA 3.24Å; D76-P170 WeakPolarHBondContact OD1-CA 3.14Å; Y168-P170 HydrophobicContact CD2-CG 4.09Å; Y168-P170 HydrophobicContact CE2-CB 4.19Å; Y168-P170 HydrophobicContact CE2-CG 3.77Å; P170-S172 PolarHBondContact O-N 3.37Å; P170-S172 VanDerWaalsContact O-N 3.1Å; P170-Q173 CarbonylContact O-C 3.56Å; P170-Q173 VanDerWaalsContact O-C 3.31Å; P170-Q173 PolarHBondContact O-N 2.85Å; P170-S176 WeakPolarHBondContact CD-O 3.16Å; P170-C178 HydrophobicContact CG-CB 4.17Å
171	E	94.1	Very high	95	Very high	142 Å²	142	36.4 Å²	36.4	66%	0.664	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-27.6	174.1	-75.3	-169.9	173.2	0	0	112.3	D76 E169 Q173	D76-E171 PolarHBondContact OD1-N 3.39Å; E169-E171 PolarHBondContact O-N 2.93Å; E171-Q173 VanDerWaalsContact C-N 3.33Å; E171-Q173 PolarHBondContact O-N 2.77Å
172	S	93.5	Very high	94.8	Very high	114 Å²	114	36.3 Å²	36.3	80%	0.797	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-20	177	62.8	0	0	0	0	114.7	P170	P170-S172 PolarHBondContact O-N 3.37Å; P170-S172 VanDerWaalsContact O-N 3.1Å
173	Q	92.2	Very high	94.6	Very high	110 Å²	110	36.5 Å²	36.5	51%	0.514	21%	0.206	S	C	.	.	S	Bend	trans	-142.5	71.7	-177.6	-167.9	-177.5	-20.5	0	0	110.7	P170 E171 S176	P170-Q173 CarbonylContact O-C 3.56Å; P170-Q173 VanDerWaalsContact O-C 3.31Å; P170-Q173 PolarHBondContact O-N 2.85Å; E171-Q173 VanDerWaalsContact C-N 3.33Å; E171-Q173 PolarHBondContact O-N 2.77Å; Q173-S176 PolarHBondContact O-N 3.38Å
174	P	90.9	Very high	94.6	Very high	101 Å²	101	36.5 Å²	36.5	66%	0.656	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	144.6	178.1	27	-34.8	0	0	0	111.3	E169	E169-P174 WeakPolarHBondContact OE1-CA 3.23Å
175	G	93.7	Very high	94.5	Very high	42 Å²	42	36.8 Å²	36.8	43%	0.433	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	86	3.8	-175.2	0	0	0	0	0	114.8	I140 A141 E169	I140-G175 WeakPolarHBondContact CG1-O 3.29Å; A141-G175 PolarHBondContact N-O 3.3Å; A141-G175 VanDerWaalsContact N-O 3.13Å; E169-G175 PolarHBondContact OE1-N 2.83Å
176	S	95.7	Very high	94.4	Very high	7 Å²	7	37.7 Å²	37.7	5%	0.049	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	121.3	177	-175.2	0	0	0	0	111.1	A141 S143 P170 Q173	A141-S176 WeakPolarHBondContact O-CA 3.47Å; S143-S176 PolarHBondContact OG-OG 3.48Å; P170-S176 WeakPolarHBondContact CD-O 3.16Å; Q173-S176 PolarHBondContact O-N 3.38Å
177	F	96.8	Very high	94.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	124.5	175	-165.2	-100.1	0	0	0	110.3	L73 I81 I140 A141 L142 S143 A165 G167 V179	L73-F177 HydrophobicContact CD1-CD2 4.5Å; L73-F177 HydrophobicContact CD2-CE2 4.29Å; I81-F177 HydrophobicContact CD1-CB 4.21Å; I81-F177 HydrophobicContact CD1-CD1 3.48Å; I81-F177 VanDerWaalsContact CD1-CD1 3.48Å; I81-F177 HydrophobicContact CD1-CD2 3.71Å; I81-F177 HydrophobicContact CD1-CE1 3.58Å; I81-F177 HydrophobicContact CD1-CE2 3.81Å; I81-F177 HydrophobicContact CD1-CG 3.52Å; I81-F177 HydrophobicContact CD1-CZ 3.74Å; I81-F177 HydrophobicContact CG1-CD1 4.23Å; I81-F177 HydrophobicContact CG1-CE1 3.82Å; I81-F177 HydrophobicContact CG1-CE2 4.22Å; I81-F177 HydrophobicContact CG1-CZ 3.8Å; I81-F177 HydrophobicContact CG2-CE2 4.07Å; I81-F177 HydrophobicContact CG2-CZ 4.25Å; I140-F177 HydrophobicContact CD1-CB 3.95Å; I140-F177 HydrophobicContact CG1-CB 4.2Å; I140-F177 HydrophobicContact CG2-CB 4.19Å; A141-F177 PolarHBondContact O-N 3.39Å; L142-F177 HydrophobicContact CD2-CB 4.05Å; L142-F177 HydrophobicContact CD2-CD1 4.35Å; S143-F177 PolarHBondContact N-O 3.09Å; S143-F177 PolarHBondContact OG-O 2.93Å; A165-F177 HydrophobicContact CB-CE1 4.21Å; G167-F177 VanDerWaalsContact CA-CE1 3.49Å; G167-F177 VanDerWaalsContact CA-CZ 3.44Å; F177-V179 HydrophobicContact CD1-CG2 3.92Å; F177-V179 HydrophobicContact CE1-CG2 4.49Å; F177-V179 PolarHBondContact O-N 2.8Å
178	C	95	Very high	94.4	Very high	15 Å²	15	37.8 Å²	37.8	10%	0.101	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	102.4	177.2	-170.4	0	0	0	0	109.6	S143 C145 G167 Y168 P170	S143-C178 WeakPolarHBondContact OG-CA 3.01Å; C145-C178 PolarHBondContact SG-SG 2.63Å; G167-C178 WeakPolarHBondContact CA-O 3.26Å; Y168-C178 HydrophobicContact CD1-CB 4.49Å; Y168-C178 HydrophobicContact CE1-CB 4.21Å; Y168-C178 HydrophobicContact CE2-CB 4.42Å; Y168-C178 PolarHBondContact N-O 3.44Å; Y168-C178 WeakPolarHBondContact O-CB 3.45Å; Y168-C178 PolarHBondContact O-N 2.75Å; P170-C178 HydrophobicContact CG-CB 4.17Å
179	V	94.6	Very high	94.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	125.4	-175.8	-178.2	0	0	0	0	110.5	L142 S143 F144 I148 A165 F177 M182	L142-V179 HydrophobicContact CB-CG2 4.27Å; L142-V179 HydrophobicContact CD2-CG2 3.93Å; L142-V179 HydrophobicContact CG-CG2 4.49Å; S143-V179 PolarHBondContact O-N 3.06Å; F144-V179 HydrophobicContact CD1-CB 4.11Å; F144-V179 HydrophobicContact CD1-CG1 4.25Å; F144-V179 HydrophobicContact CE1-CB 4.24Å; F144-V179 HydrophobicContact CE1-CG1 4.15Å; F144-V179 HydrophobicContact CE1-CG2 4.42Å; I148-V179 VanDerWaalsContact CD1-O 3.29Å; I148-V179 WeakPolarHBondContact CD1-O 3.29Å; A165-V179 HydrophobicContact CB-CG1 4.41Å; A165-V179 HydrophobicContact CB-CG2 4.45Å; F177-V179 HydrophobicContact CD1-CG2 3.92Å; F177-V179 HydrophobicContact CE1-CG2 4.49Å; F177-V179 PolarHBondContact O-N 2.8Å; V179-M182 HydrophobicContact CG1-CG 3.63Å; V179-M182 HydrophobicContact CG1-SD 4.27Å
180	E	92.8	Very high	94	Very high	65 Å²	65	38.4 Å²	38.4	30%	0.304	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-32.4	175	-72.7	-167.7	-167.2	0	0	114	K78 I148 L166	K78-E180 WeakPolarHBondContact CE-OE2 3.21Å; K78-E180 IonicContact NZ-OE1 3.04Å; K78-E180 IonicContact NZ-OE2 3.61Å; K78-E180 PolarHBondContact NZ-OE2 3.2Å; I148-E180 HydrophobicContact CD1-CB 4.4Å; I148-E180 WeakPolarHBondContact CD1-O 2.96Å; I148-E180 VanDerWaalsContact CG1-O 3.29Å; I148-E180 WeakPolarHBondContact CG1-O 3.21Å; L166-E180 HydrophobicContact CD2-CB 4.49Å; L166-E180 HydrophobicContact CG-CB 4.36Å; L166-E180 PolarHBondContact O-N 3.23Å
181	D	92.1	Very high	93.7	Very high	26 Å²	26	45.2 Å²	45.2	14%	0.139	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	159.4	173.6	-164.5	15.4	0	0	0	109.1	R52 W53 A165 L166	R52-D181 IonicContact CZ-OD2 3.08Å; R52-D181 IonicContact NE-OD2 2.57Å; R52-D181 PolarHBondContact NE-OD2 2.88Å; R52-D181 VanDerWaalsContact NE-OD2 3.08Å; R52-D181 IonicContact NH2-OD1 3.62Å; R52-D181 IonicContact NH2-OD2 3.73Å; R52-D181 PolarHBondContact NH2-OD2 2.96Å; W53-D181 HydrophobicContact CZ2-CB 3.76Å; W53-D181 PolarHBondContact NE1-OD2 2.99Å; A165-D181 WeakPolarHBondContact CA-O 3.49Å; L166-D181 HydrophobicContact CB-CB 4.24Å; L166-D181 HydrophobicContact CD2-CB 4.36Å; L166-D181 PolarHBondContact N-O 2.94Å; L166-D181 PolarHBondContact O-N 2.78Å
182	M	93.4	Very high	93.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	150	175.5	-66	-179	82.9	0	0	110.4	L85 F144 W152 L157 V163 A164 V179 F184	L85-M182 HydrophobicContact CD1-CE 4.23Å; L85-M182 HydrophobicContact CD2-CE 4.27Å; F144-M182 HydrophobicContact CE1-SD 3.59Å; F144-M182 VanDerWaalsContact CE1-SD 3.59Å; F144-M182 HydrophobicContact CZ-SD 4.11Å; W152-M182 HydrophobicContact CD2-CB 4.35Å; W152-M182 HydrophobicContact CG-SD 4.36Å; W152-M182 HydrophobicContact CZ2-CB 4.19Å; W152-M182 VanDerWaalsContact CZ2-O 3.28Å; W152-M182 WeakPolarHBondContact CZ2-O 3.48Å; L157-M182 HydrophobicContact CD1-CE 4.11Å; L157-M182 HydrophobicContact CD1-SD 4.18Å; V163-M182 HydrophobicContact CB-CE 4.1Å; V163-M182 HydrophobicContact CG1-CE 3.65Å; V163-M182 HydrophobicContact CG2-CB 4.07Å; V163-M182 HydrophobicContact CG2-CE 3.48Å; V163-M182 VanDerWaalsContact CG2-CE 3.48Å; A164-M182 CarbonylContact O-C 3.31Å; A164-M182 WeakPolarHBondContact O-CA 3.44Å; V179-M182 HydrophobicContact CG1-CG 3.63Å; V179-M182 HydrophobicContact CG1-SD 4.27Å; M182-F184 HydrophobicContact CB-CE2 4.22Å; M182-F184 HydrophobicContact CE-CZ 4.26Å
183	L	93.8	Very high	93.5	Very high	8 Å²	8	37.9 Å²	37.9	4%	0.042	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	126.4	178.3	-176.7	64.2	0	0	0	110.2	L45 L48 A49 W53 V163 A164	L45-L183 WeakPolarHBondContact CD2-O 3.38Å; L48-L183 HydrophobicContact CB-CD2 3.61Å; A49-L183 HydrophobicContact CB-CD2 4.19Å; W53-L183 HydrophobicContact CH2-CB 4.01Å; W53-L183 HydrophobicContact CZ2-CB 4.1Å; V163-L183 VanDerWaalsContact CG2-O 3.27Å; V163-L183 WeakPolarHBondContact CG2-O 3.43Å; A164-L183 HydrophobicContact CB-CB 4.35Å; A164-L183 PolarHBondContact N-O 3.17Å; A164-L183 PolarHBondContact O-N 3.22Å
184	F	95.4	Very high	93.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.213	C	C	.	.			trans	-98.9	177.7	176.8	-60.1	-85	0	0	0	110.3	W152 L157 V161 V163 M182 E186 L423 W424	W152-F184 HydrophobicContact CD2-CE2 4.47Å; W152-F184 AromaticContact CE3-CE2 3.74Å; W152-F184 HydrophobicContact CE3-CE2 3.74Å; W152-F184 HydrophobicContact CE3-CZ 4.34Å; W152-F184 AromaticContact CH2-CD2 3.78Å; W152-F184 HydrophobicContact CH2-CD2 3.78Å; W152-F184 AromaticContact CH2-CE2 3.46Å; W152-F184 HydrophobicContact CH2-CE2 3.46Å; W152-F184 VanDerWaalsContact CH2-CE2 3.46Å; W152-F184 HydrophobicContact CZ2-CE2 4.24Å; W152-F184 AromaticContact CZ3-CD2 3.79Å; W152-F184 HydrophobicContact CZ3-CD2 3.79Å; W152-F184 AromaticContact CZ3-CE2 3.15Å; W152-F184 HydrophobicContact CZ3-CE2 3.15Å; W152-F184 HydrophobicContact CZ3-CZ 4.11Å; L157-F184 HydrophobicContact CD2-CE1 4.13Å; L157-F184 HydrophobicContact CD2-CZ 3.73Å; V161-F184 HydrophobicContact CG1-CD1 3.69Å; V161-F184 HydrophobicContact CG1-CE1 3.69Å; V163-F184 HydrophobicContact CB-CD1 4.26Å; V163-F184 HydrophobicContact CB-CE1 4.05Å; V163-F184 HydrophobicContact CG2-CD1 3.89Å; V163-F184 HydrophobicContact CG2-CE1 3.64Å; V163-F184 HydrophobicContact CG2-CE2 4.3Å; V163-F184 HydrophobicContact CG2-CG 4.4Å; V163-F184 HydrophobicContact CG2-CZ 3.86Å; M182-F184 HydrophobicContact CB-CE2 4.22Å; M182-F184 HydrophobicContact CE-CZ 4.26Å; F184-E186 VanDerWaalsContact C-N 3.26Å; F184-E186 HydrophobicContact CB-CG 4.27Å; F184-E186 PolarHBondContact O-N 3.46Å; F184-L423 WeakPolarHBondContact CB-O 3.31Å; F184-W424 AromaticContact CD1-CD1 3.26Å; F184-W424 HydrophobicContact CD1-CG 4.3Å; F184-W424 AromaticContact CD1-NE1 3.74Å; F184-W424 AromaticContact CE1-CD1 3.58Å; F184-W424 AromaticContact CE1-NE1 3.53Å; F184-W424 AromaticContact CG-CD1 3.79Å
185	L	95.7	Very high	93.1	Very high	6 Å²	6	39 Å²	39	3%	0.031	20%	0.203	C	C	.	.			trans	-63.5	-32.6	-179.9	-76.9	172.2	0	0	0	112.9	A41 V44 L45 P187 L447 N458	A41-L185 HydrophobicContact CB-CD1 4.06Å; A41-L185 HydrophobicContact CB-CD2 4.06Å; A41-L185 HydrophobicContact CB-CG 4.41Å; V44-L185 HydrophobicContact CB-CD2 4.09Å; V44-L185 HydrophobicContact CG1-CD2 3.97Å; L45-L185 HydrophobicContact CD1-CD2 4.46Å; L45-L185 HydrophobicContact CD2-CD2 4.14Å; L45-L185 HydrophobicContact CD2-CG 4.38Å; L45-L185 HydrophobicContact CG-CD2 3.85Å; L45-L185 HydrophobicContact CG-CG 4.41Å; L185-P187 VanDerWaalsContact C-CD 3.49Å; L185-P187 VanDerWaalsContact C-N 3.32Å; L185-P187 VanDerWaalsContact O-N 3.16Å; L185-L447 HydrophobicContact CD1-CD1 3.73Å; L185-N458 WeakPolarHBondContact O-CB 3.16Å; L185-N458 PolarHBondContact O-ND2 2.95Å
186	E	94.7	Very high	92.6	Very high	19 Å²	19	42.4 Å²	42.4	9%	0.089	21%	0.208	C	C	.	.			trans	40.2	55	178.4	-59.7	-173.1	145.1	0	0	112.7	F184 Q188 L423 K485 W486	F184-E186 VanDerWaalsContact C-N 3.26Å; F184-E186 HydrophobicContact CB-CG 4.27Å; F184-E186 PolarHBondContact O-N 3.46Å; E186-Q188 PolarHBondContact O-NE2 2.88Å; E186-L423 WeakPolarHBondContact CA-O 3.37Å; E186-L423 PolarHBondContact N-O 2.81Å; E186-K485 WeakPolarHBondContact OE1-CA 3.47Å; E186-W486 PolarHBondContact OE1-N 3.49Å
187	P	95.5	Very high	91.6	Very high	2 Å²	2	51 Å²	51	1%	0.013	25%	0.247	C	C	.	.			trans	-58.9	144.3	-178.8	26.1	-34.7	0	0	0	111.3	L185 L422 L448 N458 Y463	L185-P187 VanDerWaalsContact C-CD 3.49Å; L185-P187 VanDerWaalsContact C-N 3.32Å; L185-P187 VanDerWaalsContact O-N 3.16Å; P187-L422 WeakPolarHBondContact CD-O 3.45Å; P187-L422 WeakPolarHBondContact CG-O 3.28Å; P187-L448 HydrophobicContact CB-CD1 4.41Å; P187-L448 HydrophobicContact CG-CB 4.46Å; P187-L448 HydrophobicContact CG-CD1 3.71Å; P187-N458 CarbonylContact C-O 3.29Å; P187-N458 VanDerWaalsContact CA-O 3.26Å; P187-N458 WeakPolarHBondContact CA-O 3.45Å; P187-Y463 HydrophobicContact CB-CD2 4.17Å; P187-Y463 HydrophobicContact CG-CD2 4.24Å; P187-Y463 WeakPolarHBondContact O-CD2 3.45Å; P187-Y463 WeakPolarHBondContact O-CE2 3.2Å
188	Q	93.9	Very high	90.3	Very high	13 Å²	13	54.4 Å²	54.4	6%	0.061	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	147.7	-175.2	-57.7	-59.5	-48.7	0	0	110.2	E186 Q457 N458 F459 S460 L484	E186-Q188 PolarHBondContact O-NE2 2.88Å; Q188-Q457 HydrophobicContact CG-CB 4.38Å; Q188-N458 PolarHBondContact N-O 3.24Å; Q188-F459 HydrophobicContact CB-CD1 3.83Å; Q188-F459 HydrophobicContact CB-CE1 4.17Å; Q188-F459 WeakPolarHBondContact O-CA 3.49Å; Q188-S460 PolarHBondContact O-N 2.87Å; Q188-L484 PolarHBondContact NE2-O 2.98Å; Q188-L484 VanDerWaalsContact OE1-CB 3.27Å
189	P	93.8	Very high	88.7	Confident	17 Å²	17	57.7 Å²	57.7	11%	0.11	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	137.8	172.3	30.2	-35.3	0	0	0	110.5	K191 I193 F459 Y463 L484	P189-K191 WeakPolarHBondContact CB-O 3.09Å; P189-K191 PolarHBondContact O-N 2.9Å; P189-K191 VanDerWaalsContact O-N 3.16Å; P189-I193 HydrophobicContact CB-CD1 4.35Å; P189-I193 HydrophobicContact CB-CG1 4.22Å; P189-I193 HydrophobicContact CG-CD1 4.33Å; P189-I193 HydrophobicContact CG-CG1 4.29Å; P189-F459 WeakPolarHBondContact O-CD1 3.44Å; P189-Y463 HydrophobicContact CB-CD1 3.69Å; P189-Y463 HydrophobicContact CB-CE1 4.24Å; P189-Y463 HydrophobicContact CB-CG 4.29Å; P189-Y463 HydrophobicContact CG-CD1 4.17Å; P189-Y463 HydrophobicContact CG-CE1 4.26Å; P189-L484 HydrophobicContact CG-CD2 4.39Å
190	E	91.3	Very high	86.8	Confident	103 Å²	103	66.2 Å²	66.2	48%	0.481	33%	0.327	S	S	.	.	S	Bend	trans	-63.5	-19.9	178	-64.4	-171.6	148.3	0	0	113.2	S451 F459	E190-S451 WeakPolarHBondContact OE1-CB 3.39Å; E190-S451 PolarHBondContact OE1-OG 2.82Å; E190-F459 HydrophobicContact CG-CB 4.33Å
191	K	89.7	Confident	84.9	Confident	159 Å²	159	68.2 Å²	68.2	69%	0.691	34%	0.339	S	S	*	.	S	Bend	trans	-137.5	145.1	176.7	-61.8	176.6	-173.5	171.1	0	109.1	P189 I193	P189-K191 WeakPolarHBondContact CB-O 3.09Å; P189-K191 PolarHBondContact O-N 2.9Å; P189-K191 VanDerWaalsContact O-N 3.16Å; K191-I193 PolarHBondContact O-N 2.96Å
192	P	90.2	Very high	83.1	Confident	85 Å²	85	73.1 Å²	73.1	55%	0.552	37%	0.365	S	S	*	.			trans	-55.1	138.4	172.7	-25.1	34.1	0	0	0	112	Y194	P192-Y194 HydrophobicContact CB-CE1 4.26Å; P192-Y194 HydrophobicContact CB-CE2 4.2Å; P192-Y194 WeakPolarHBondContact O-CD2 3.42Å; P192-Y194 VanDerWaalsContact O-CE2 3.29Å; P192-Y194 WeakPolarHBondContact O-CE2 3.48Å; P192-Y194 PolarHBondContact O-N 3.41Å; P192-Y194 VanDerWaalsContact O-N 3.13Å
193	I	92.3	Very high	81.3	Confident	17 Å²	17	74.5 Å²	74.5	9%	0.087	37%	0.373	C	S	.	.			trans	-84.3	90.8	-179	-53.5	172.4	0	0	0	108.5	P189 K191 Y463 D465 R481 L519	P189-I193 HydrophobicContact CB-CD1 4.35Å; P189-I193 HydrophobicContact CB-CG1 4.22Å; P189-I193 HydrophobicContact CG-CD1 4.33Å; P189-I193 HydrophobicContact CG-CG1 4.29Å; K191-I193 PolarHBondContact O-N 2.96Å; I193-Y463 HydrophobicContact CD1-CE1 4.11Å; I193-D465 WeakPolarHBondContact CG1-OD1 3.46Å; I193-D465 HydrophobicContact CG2-CB 4.12Å; I193-R481 VanDerWaalsContact CG2-NH2 3.35Å; I193-L519 HydrophobicContact CG2-CD1 4.23Å
194	Y	87.9	Confident	79.7	Confident	162 Å²	162	78.6 Å²	78.6	64%	0.635	40%	0.396	S	S	*	.			trans	-69.6	142.4	-178.7	-61	-76	0	0	0	112.2	P192 R392	P192-Y194 HydrophobicContact CB-CE1 4.26Å; P192-Y194 HydrophobicContact CB-CE2 4.2Å; P192-Y194 WeakPolarHBondContact O-CD2 3.42Å; P192-Y194 VanDerWaalsContact O-CE2 3.29Å; P192-Y194 WeakPolarHBondContact O-CE2 3.48Å; P192-Y194 PolarHBondContact O-N 3.41Å; P192-Y194 VanDerWaalsContact O-N 3.13Å; Y194-R392 PolarHBondContact O-NH1 3.26Å; Y194-R392 PolarHBondContact O-NH2 3.02Å
195	V	87.7	Confident	77.9	Confident	74 Å²	74	83.7 Å²	83.7	45%	0.448	43%	0.426	S	S	.	.			trans	-114.7	133.6	171.7	176.8	0	0	0	0	108.6	S518 L519	V195-S518 WeakPolarHBondContact CG1-O 3.49Å; V195-L519 HydrophobicContact CG2-CD1 3.85Å; V195-L519 HydrophobicContact CG2-CG 4.27Å
196	Q	82.8	Confident	76.2	Confident	112 Å²	112	85.9 Å²	85.9	52%	0.523	44%	0.44	S	S	.	.			trans	-86.8	117.7	171.2	-66.7	-177.6	-8.9	0	0	108.9	I198 K517 S518	Q196-I198 PolarHBondContact O-N 3.46Å; Q196-I198 VanDerWaalsContact O-N 3.09Å; Q196-K517 HydrophobicContact CB-CB 4.32Å; Q196-K517 PolarHBondContact N-O 3.32Å; Q196-S518 WeakPolarHBondContact O-CA 3.38Å; Q196-S518 WeakPolarHBondContact O-CB 3.3Å
197	E	74.5	Confident	75	Confident	187 Å²	187	88.5 Å²	88.5	87%	0.874	46%	0.455	S	S	*	.			trans	-67.7	106.1	168.5	-68.4	-176.7	179.7	0	0	108.2
198	I	68.8	Low	74.1	Confident	72 Å²	72	88.9 Å²	88.9	37%	0.369	46%	0.457	S	S	.	.			trans	-91.6	137.2	170.6	-55	174.6	0	0	0	105.9	Q196 H200 K517	Q196-I198 PolarHBondContact O-N 3.46Å; Q196-I198 VanDerWaalsContact O-N 3.09Å; I198-H200 PolarHBondContact O-N 2.73Å; I198-K517 HydrophobicContact CD1-CB 4.07Å
199	S	61	Low	73.2	Confident	85 Å²	85	91 Å²	91	59%	0.594	46%	0.464	S	S	*	.			trans	-52.1	122	168.7	52.7	0	0	0	0	107.8	I201	S199-I201 PolarHBondContact O-N 3.02Å
200	H	54.7	Low	72.3	Confident	178 Å²	178	92.8 Å²	92.8	82%	0.824	47%	0.472	S	S	*	.			trans	-64.2	71.5	170.4	-62.1	-84.9	0	0	0	108.4	I198 D202	I198-H200 PolarHBondContact O-N 2.73Å; H200-D202 PolarHBondContact O-N 3.09Å
201	I	53.3	Low	71.8	Confident	108 Å²	108	88.9 Å²	88.9	55%	0.554	46%	0.457	S	S	*	.			trans	-63.6	120.8	151	-59	167.7	0	0	0	101.5	S199 V203	S199-I201 PolarHBondContact O-N 3.02Å; I201-V203 WeakPolarHBondContact O-CG2 3.29Å; I201-V203 PolarHBondContact O-N 3.4Å
202	D	54.6	Low	71.4	Confident	129 Å²	129	81.4 Å²	81.4	69%	0.69	43%	0.425	S	S	*	.			trans	-52.9	95.3	162.3	-77.2	-37	0	0	0	105.2	H200 N204	H200-D202 PolarHBondContact O-N 3.09Å; D202-N204 PolarHBondContact O-N 2.87Å
203	V	56.2	Low	71.3	Confident	28 Å²	28	77.8 Å²	77.8	17%	0.17	40%	0.402	C	S	.	.			trans	-67.8	91.1	175.6	174.2	0	0	0	0	103.1	I201 F208 S211 R522	I201-V203 WeakPolarHBondContact O-CG2 3.29Å; I201-V203 PolarHBondContact O-N 3.4Å; V203-F208 VanDerWaalsContact CG1-CA 3.45Å; V203-F208 HydrophobicContact CG1-CB 4.12Å; V203-F208 HydrophobicContact CG1-CD2 4.35Å; V203-S211 VanDerWaalsContact CG1-CB 3.46Å; V203-S211 WeakPolarHBondContact CG1-OG 3.46Å; V203-S211 VanDerWaalsContact CG2-CB 3.48Å; V203-R522 PolarHBondContact O-NH1 2.92Å
204	N	60.3	Low	71.3	Confident	95 Å²	95	77.2 Å²	77.2	51%	0.508	40%	0.398	S	S	.	.			trans	-61.2	158.7	170.4	-72	-27.9	0	0	0	107.7	D202 T206 D207 F208	D202-N204 PolarHBondContact O-N 2.87Å; N204-T206 PolarHBondContact O-N 3.39Å; N204-D207 PolarHBondContact O-N 2.82Å; N204-F208 PolarHBondContact O-N 3.4Å
205	T	56.9	Low	71.6	Confident	106 Å²	106	69.6 Å²	69.6	65%	0.65	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-26.2	176.6	47.1	0	0	0	0	112.8	G248	T205-G248 VanDerWaalsContact O-O 3.08Å
206	T	60.9	Low	72	Confident	53 Å²	53	66.1 Å²	66.1	33%	0.325	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-31.3	177	58.8	0	0	0	0	113.9	N204 Y251	N204-T206 PolarHBondContact O-N 3.39Å; T206-Y251 HydrophobicContact CG2-CD2 4.24Å
207	D	68.1	Low	72.8	Confident	73 Å²	73	60.8 Å²	60.8	39%	0.39	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	1.8	-169.7	-61.7	-2.3	0	0	0	111.9	N204 R209 N210 S211	N204-D207 PolarHBondContact O-N 2.82Å; D207-R209 PolarHBondContact O-N 3.4Å; D207-R209 VanDerWaalsContact O-N 3.16Å; D207-N210 PolarHBondContact O-N 3Å; D207-S211 PolarHBondContact O-N 3.43Å
208	F	78	Confident	73.9	Confident	11 Å²	11	51.9 Å²	51.9	5%	0.048	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-54.5	-38.7	-177.6	180	-92.4	0	0	0	112.2	V203 N204 N210 S211 W214 W243 A247 L262 L513	V203-F208 VanDerWaalsContact CG1-CA 3.45Å; V203-F208 HydrophobicContact CG1-CB 4.12Å; V203-F208 HydrophobicContact CG1-CD2 4.35Å; N204-F208 PolarHBondContact O-N 3.4Å; F208-N210 PolarHBondContact O-N 2.88Å; F208-N210 VanDerWaalsContact O-N 3.13Å; F208-S211 PolarHBondContact O-N 3.37Å; F208-S211 VanDerWaalsContact O-N 3.08Å; F208-S211 PolarHBondContact O-OG 3.29Å; F208-W214 AromaticContact CE2-CD1 3.59Å; F208-W214 AromaticContact CE2-CD2 3.77Å; F208-W214 HydrophobicContact CE2-CD2 3.77Å; F208-W214 AromaticContact CE2-CE2 3.69Å; F208-W214 HydrophobicContact CE2-CE3 4.46Å; F208-W214 AromaticContact CE2-CG 3.75Å; F208-W214 HydrophobicContact CE2-CG 3.75Å; F208-W214 HydrophobicContact CE2-CZ2 4.36Å; F208-W214 AromaticContact CE2-NE1 3.57Å; F208-W214 HydrophobicContact CZ-CB 3.9Å; F208-W214 AromaticContact CZ-CD1 3.51Å; F208-W214 HydrophobicContact CZ-CD2 4.04Å; F208-W214 AromaticContact CZ-CG 3.56Å; F208-W214 HydrophobicContact CZ-CG 3.56Å; F208-W243 HydrophobicContact CD1-CH2 4.46Å; F208-W243 HydrophobicContact CD1-CZ2 4.39Å; F208-W243 AromaticContact CE1-CH2 3.78Å; F208-W243 HydrophobicContact CE1-CH2 3.78Å; F208-W243 HydrophobicContact CE1-CZ2 4.14Å; F208-W243 AromaticContact CZ-CH2 3.86Å; F208-W243 HydrophobicContact CZ-CH2 3.86Å; F208-W243 HydrophobicContact CZ-CZ2 4.31Å; F208-A247 WeakPolarHBondContact CD1-O 3.49Å; F208-A247 WeakPolarHBondContact CE1-O 3.49Å; F208-L262 HydrophobicContact CE1-CB 4.36Å; F208-L513 HydrophobicContact CE2-CD1 3.68Å; F208-L513 HydrophobicContact CZ-CD1 3.81Å; F208-L513 HydrophobicContact CZ-CD2 4.24Å
209	R	73.7	Confident	75.3	Confident	56 Å²	56	48.4 Å²	48.4	21%	0.211	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-56.2	-29.7	177.8	-172.8	173.8	-177.4	165.1	4.1	114	D207 D249 G261 D333	D207-R209 PolarHBondContact O-N 3.4Å; D207-R209 VanDerWaalsContact O-N 3.16Å; R209-D249 HydrophobicContact CB-CB 3.93Å; R209-G261 WeakPolarHBondContact O-CA 3.5Å; R209-G261 PolarHBondContact O-N 3.47Å; R209-D333 PolarHBondContact NH2-O 2.85Å
210	N	75.5	Confident	77	Confident	55 Å²	55	44.4 Å²	44.4	29%	0.294	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-99.8	0.8	-176.9	-60.9	-31.3	0	0	0	113.2	D207 F208	D207-N210 PolarHBondContact O-N 3Å; F208-N210 PolarHBondContact O-N 2.88Å; F208-N210 VanDerWaalsContact O-N 3.13Å
211	S	80.6	Confident	79	Confident	21 Å²	21	35.9 Å²	35.9	15%	0.147	20%	0.196	C	C	.	.	S	Bend	trans	-100.7	2.1	-172.1	70.8	0	0	0	0	114.8	V203 D207 F208 W214 N515	V203-S211 VanDerWaalsContact CG1-CB 3.46Å; V203-S211 WeakPolarHBondContact CG1-OG 3.46Å; V203-S211 VanDerWaalsContact CG2-CB 3.48Å; D207-S211 PolarHBondContact O-N 3.43Å; F208-S211 PolarHBondContact O-N 3.37Å; F208-S211 VanDerWaalsContact O-N 3.08Å; F208-S211 PolarHBondContact O-OG 3.29Å; S211-W214 PolarHBondContact O-NE1 2.9Å; S211-W214 PolarHBondContact OG-NE1 3.29Å; S211-N515 PolarHBondContact O-ND2 3.46Å
212	G	81.7	Confident	81	Confident	3 Å²	3	30.9 Å²	30.9	3%	0.031	17%	0.17	C	C	.	.			trans	-77.6	-172.4	-172.2	0	0	0	0	0	115.5	S260	G212-S260 WeakPolarHBondContact CA-O 3.41Å
213	P	88.4	Confident	82.9	Confident	9 Å²	9	25.4 Å²	25.4	6%	0.058	14%	0.141	C	C	.	.			cis	-83.5	132	10.2	30.5	-33.6	0	0	0	114.6	S260 I263 L516	P213-S260 WeakPolarHBondContact CA-O 3.39Å; P213-I263 HydrophobicContact CB-CD1 3.6Å; P213-I263 HydrophobicContact CB-CG1 4.02Å; P213-I263 HydrophobicContact CB-CG2 4.28Å; P213-L516 HydrophobicContact CB-CD1 4.49Å; P213-L516 HydrophobicContact CG-CB 4.22Å; P213-L516 HydrophobicContact CG-CD1 4.44Å; P213-L516 PolarHBondContact O-N 3.22Å
214	W	91.9	Very high	84.6	Confident	4 Å²	4	24.7 Å²	24.7	2%	0.015	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	140.4	177.1	-66.1	94.8	0	0	0	112.7	F208 S211 G261 I263 L513 I514 N515 D520 R522	F208-W214 AromaticContact CE2-CD1 3.59Å; F208-W214 AromaticContact CE2-CD2 3.77Å; F208-W214 HydrophobicContact CE2-CD2 3.77Å; F208-W214 AromaticContact CE2-CE2 3.69Å; F208-W214 HydrophobicContact CE2-CE3 4.46Å; F208-W214 AromaticContact CE2-CG 3.75Å; F208-W214 HydrophobicContact CE2-CG 3.75Å; F208-W214 HydrophobicContact CE2-CZ2 4.36Å; F208-W214 AromaticContact CE2-NE1 3.57Å; F208-W214 HydrophobicContact CZ-CB 3.9Å; F208-W214 AromaticContact CZ-CD1 3.51Å; F208-W214 HydrophobicContact CZ-CD2 4.04Å; F208-W214 AromaticContact CZ-CG 3.56Å; F208-W214 HydrophobicContact CZ-CG 3.56Å; S211-W214 PolarHBondContact O-NE1 2.9Å; S211-W214 PolarHBondContact OG-NE1 3.29Å; W214-G261 PolarHBondContact N-O 3.36Å; W214-I263 VanDerWaalsContact O-CG1 3.27Å; W214-I263 WeakPolarHBondContact O-CG1 3.41Å; W214-I263 PolarHBondContact O-N 3.22Å; W214-L513 HydrophobicContact CE3-CB 3.69Å; W214-L513 HydrophobicContact CZ3-CB 4.04Å; W214-I514 WeakPolarHBondContact CA-O 3.34Å; W214-I514 VanDerWaalsContact CE3-C 3.4Å; W214-N515 HydrophobicContact CD2-CB 4.14Å; W214-N515 HydrophobicContact CE3-CB 3.86Å; W214-N515 VanDerWaalsContact CE3-N 3.3Å; W214-N515 HydrophobicContact CH2-CB 3.75Å; W214-N515 HydrophobicContact CZ2-CB 4.03Å; W214-N515 HydrophobicContact CZ3-CB 3.67Å; W214-D520 HydrophobicContact CH2-CB 4.34Å; W214-D520 WeakPolarHBondContact CZ3-O 3.15Å; W214-R522 HydrophobicContact CH2-CG 3.95Å; W214-R522 HydrophobicContact CZ3-CG 4.17Å
215	V	94.7	Very high	85.8	Confident	3 Å²	3	20.7 Å²	20.7	2%	0.018	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.8	165.2	179.7	0	0	0	0	108.6	V217 H264 L266 L389 L513 I514 L516	V215-V217 HydrophobicContact CG1-CG2 4.18Å; V215-H264 WeakPolarHBondContact CA-O 3.32Å; V215-H264 HydrophobicContact CG2-CB 4.34Å; V215-L266 HydrophobicContact CG1-CD1 4.23Å; V215-L266 HydrophobicContact CG1-CG 4.19Å; V215-L389 HydrophobicContact CG2-CD2 3.56Å; V215-L513 CarbonylContact O-C 3.56Å; V215-L513 WeakPolarHBondContact O-CA 3.11Å; V215-I514 PolarHBondContact N-O 2.96Å; V215-I514 PolarHBondContact O-N 2.93Å; V215-L516 HydrophobicContact CG2-CD1 3.86Å; V215-L516 HydrophobicContact CG2-CD2 3.68Å; V215-L516 HydrophobicContact CG2-CG 3.85Å
216	G	96.2	Very high	86.8	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	139.1	169.7	0	0	0	0	0	110	H264 L265 L266 V512	G216-H264 PolarHBondContact N-O 2.93Å; G216-L265 CarbonylContact O-C 3.59Å; G216-L265 WeakPolarHBondContact O-CA 3.42Å; G216-L266 PolarHBondContact O-N 3.01Å; G216-V512 CarbonylContact C-O 3.48Å; G216-V512 WeakPolarHBondContact CA-O 3.34Å
217	V	98.5	Very high	87.3	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	124.7	175.6	-166.9	0	0	0	0	109.6	V215 L266 L268 V468 V502 V512 I514	V215-V217 HydrophobicContact CG1-CG2 4.18Å; V217-L266 WeakPolarHBondContact CA-O 3.4Å; V217-L266 HydrophobicContact CB-CB 4.44Å; V217-L266 HydrophobicContact CG1-CB 3.99Å; V217-L266 HydrophobicContact CG2-CB 4.21Å; V217-L266 HydrophobicContact CG2-CD1 4.16Å; V217-L268 HydrophobicContact CG1-CD1 3.42Å; V217-L268 VanDerWaalsContact CG1-CD1 3.42Å; V217-L268 HydrophobicContact CG1-CG 3.75Å; V217-V468 HydrophobicContact CB-CG1 4.44Å; V217-V468 HydrophobicContact CG1-CG1 3.8Å; V217-V468 HydrophobicContact CG2-CG1 4.38Å; V217-V502 HydrophobicContact CB-CG2 4.18Å; V217-V502 HydrophobicContact CG1-CG1 4.41Å; V217-V502 HydrophobicContact CG1-CG2 3.82Å; V217-V512 PolarHBondContact N-O 3.33Å; V217-V512 PolarHBondContact O-N 3.26Å; V217-I514 HydrophobicContact CG2-CD1 3.89Å
218	V	98.3	Very high	87.9	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	150.7	174.2	67.5	0	0	0	0	108.8	L221 L240 L265 L266 I267 L268 F505 L511	V218-L221 HydrophobicContact CG1-CD2 4.13Å; V218-L221 HydrophobicContact CG1-CG 4.39Å; V218-L221 HydrophobicContact CG2-CD2 3.62Å; V218-L221 HydrophobicContact CG2-CG 4.36Å; V218-L240 HydrophobicContact CG2-CD2 4.28Å; V218-L265 HydrophobicContact CG1-CD1 4.39Å; V218-L266 PolarHBondContact N-O 2.89Å; V218-I267 HydrophobicContact CG1-CB 4.38Å; V218-I267 HydrophobicContact CG1-CG1 3.84Å; V218-I267 HydrophobicContact CG1-CG2 4.44Å; V218-I267 CarbonylContact O-C 3.55Å; V218-I267 WeakPolarHBondContact O-CA 3.32Å; V218-L268 PolarHBondContact O-N 3.3Å; V218-F505 HydrophobicContact CG2-CB 3.68Å; V218-F505 HydrophobicContact CG2-CD2 3.66Å; V218-F505 HydrophobicContact CG2-CG 3.87Å; V218-L511 HydrophobicContact CB-CD1 4.12Å
219	S	97.8	Very high	88.3	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	152.7	178.5	83.5	0	0	0	0	110.3	L221 L268 G470 C471 V502 P503 F505	S219-L221 PolarHBondContact O-N 3Å; S219-L268 WeakPolarHBondContact CA-O 3.35Å; S219-L268 VanDerWaalsContact CB-O 3.32Å; S219-L268 WeakPolarHBondContact CB-O 3.31Å; S219-G470 VanDerWaalsContact CB-CA 3.49Å; S219-C471 PolarHBondContact OG-N 2.81Å; S219-V502 PolarHBondContact OG-O 2.97Å; S219-P503 PolarHBondContact OG-O 2.84Å; S219-F505 WeakPolarHBondContact O-CB 3.1Å; S219-F505 PolarHBondContact O-N 3.37Å
220	A	96.6	Very high	89	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.157	C	C	.	.			trans	47.6	61.2	177.1	0	0	0	0	0	114	G222 G269 D270 R504 D506	A220-G222 PolarHBondContact O-N 3.16Å; A220-G269 VanDerWaalsContact CA-O 3.31Å; A220-G269 WeakPolarHBondContact CA-O 3.13Å; A220-G269 PolarHBondContact N-O 2.94Å; A220-D270 CarbonylContact C-O 3.56Å; A220-D270 VanDerWaalsContact CA-O 3.29Å; A220-D270 WeakPolarHBondContact CA-O 3.42Å; A220-D270 HydrophobicContact CB-CB 3.85Å; A220-R504 HydrophobicContact CB-CB 3.71Å; A220-R504 HydrophobicContact CB-CG 3.76Å; A220-D506 PolarHBondContact O-N 2.93Å
221	L	97.3	Very high	89.7	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.179	C	C	.	.			trans	-59.7	-28.5	176	-70.8	170.2	0	0	0	111.7	V218 S219 F223 H233 L237 L240 I267 D270 F314 W317 F505	V218-L221 HydrophobicContact CG1-CD2 4.13Å; V218-L221 HydrophobicContact CG1-CG 4.39Å; V218-L221 HydrophobicContact CG2-CD2 3.62Å; V218-L221 HydrophobicContact CG2-CG 4.36Å; S219-L221 PolarHBondContact O-N 3Å; L221-F223 HydrophobicContact CB-CD2 3.92Å; L221-F223 HydrophobicContact CB-CE2 3.85Å; L221-F223 HydrophobicContact CD1-CE2 4.14Å; L221-F223 PolarHBondContact O-N 3.06Å; L221-H233 PolarHBondContact O-CE1 2.71Å; L221-H233 PolarHBondContact O-NE2 3.23Å; L221-L237 HydrophobicContact CB-CD2 4.3Å; L221-L237 HydrophobicContact CD2-CD2 3.78Å; L221-L240 HydrophobicContact CD2-CD2 3.86Å; L221-I267 HydrophobicContact CD1-CD1 4.2Å; L221-I267 HydrophobicContact CD1-CG2 3.84Å; L221-I267 HydrophobicContact CG-CG2 4.43Å; L221-D270 PolarHBondContact N-O 2.71Å; L221-F314 HydrophobicContact CD1-CD2 4.32Å; L221-F314 HydrophobicContact CD1-CE2 3.7Å; L221-W317 HydrophobicContact CD1-CE3 4.29Å; L221-W317 HydrophobicContact CD1-CH2 3.93Å; L221-W317 HydrophobicContact CD1-CZ3 3.64Å; L221-W317 HydrophobicContact CD2-CH2 4.41Å; L221-F505 HydrophobicContact CD2-CB 4.36Å; L221-F505 HydrophobicContact CD2-CD1 4.04Å; L221-F505 HydrophobicContact CD2-CG 4.09Å
222	G	94.7	Very high	90.2	Very high	2 Å²	2	30.3 Å²	30.3	2%	0.021	19%	0.187	C	C	.	.			trans	66.2	37.4	167.5	0	0	0	0	0	114.4	A220 A224 H233 D270 S271	A220-G222 PolarHBondContact O-N 3.16Å; G222-A224 PolarHBondContact O-N 3.49Å; G222-H233 PolarHBondContact O-CE1 2.85Å; G222-H233 VanDerWaalsContact O-CE1 3.27Å; G222-D270 PolarHBondContact N-O 3.02Å; G222-D270 VanDerWaalsContact N-O 3.17Å; G222-S271 PolarHBondContact N-O 3.31Å
223	F	95.5	Very high	90.8	Very high	15 Å²	15	30.6 Å²	30.6	7%	0.066	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-57.1	129.4	172.8	-77.9	-94.4	0	0	0	110.1	L221 L237 S271 I272 Q273 A310 R313 F314 W317	L221-F223 HydrophobicContact CB-CD2 3.92Å; L221-F223 HydrophobicContact CB-CE2 3.85Å; L221-F223 HydrophobicContact CD1-CE2 4.14Å; L221-F223 PolarHBondContact O-N 3.06Å; F223-L237 HydrophobicContact CD1-CD1 4.26Å; F223-L237 HydrophobicContact CE1-CD1 3.82Å; F223-L237 HydrophobicContact CE2-CD1 4.12Å; F223-L237 HydrophobicContact CE2-CD2 3.92Å; F223-L237 HydrophobicContact CZ-CD1 3.72Å; F223-L237 HydrophobicContact CZ-CD2 3.93Å; F223-L237 HydrophobicContact CZ-CG 4.34Å; F223-S271 WeakPolarHBondContact CD2-O 3.34Å; F223-S271 PolarHBondContact N-O 2.9Å; F223-I272 HydrophobicContact CB-CG2 4.31Å; F223-I272 CarbonylContact O-C 3.56Å; F223-I272 VanDerWaalsContact O-CA 3.3Å; F223-I272 WeakPolarHBondContact O-CA 3.47Å; F223-Q273 PolarHBondContact O-N 2.77Å; F223-A310 VanDerWaalsContact O-CB 3.3Å; F223-A310 WeakPolarHBondContact O-CB 3.42Å; F223-R313 HydrophobicContact CD1-CB 3.8Å; F223-R313 HydrophobicContact CE1-CB 4.4Å; F223-F314 HydrophobicContact CB-CB 4.1Å; F223-F314 HydrophobicContact CD1-CB 4.27Å; F223-F314 HydrophobicContact CD2-CB 3.76Å; F223-F314 AromaticContact CD2-CD2 3.61Å; F223-F314 HydrophobicContact CD2-CD2 3.61Å; F223-F314 HydrophobicContact CD2-CG 4.01Å; F223-F314 HydrophobicContact CE2-CB 4.29Å; F223-F314 AromaticContact CE2-CD2 3.53Å; F223-F314 HydrophobicContact CE2-CD2 3.53Å; F223-F314 HydrophobicContact CE2-CE2 4.35Å; F223-F314 HydrophobicContact CE2-CG 4.33Å; F223-F314 HydrophobicContact CG-CB 3.77Å; F223-F314 HydrophobicContact CG-CD2 4.46Å; F223-F314 HydrophobicContact CZ-CD2 4.31Å; F223-W317 HydrophobicContact CE1-CB 3.76Å; F223-W317 HydrophobicContact CE1-CG 4.09Å; F223-W317 HydrophobicContact CE2-CB 4.45Å; F223-W317 HydrophobicContact CE2-CD2 4.22Å; F223-W317 HydrophobicContact CE2-CE3 4.26Å; F223-W317 HydrophobicContact CE2-CG 4.31Å; F223-W317 HydrophobicContact CZ-CB 3.46Å; F223-W317 VanDerWaalsContact CZ-CB 3.46Å; F223-W317 AromaticContact CZ-CD1 3.84Å; F223-W317 AromaticContact CZ-CD2 3.72Å; F223-W317 HydrophobicContact CZ-CD2 3.72Å; F223-W317 HydrophobicContact CZ-CE3 4.18Å; F223-W317 AromaticContact CZ-CG 3.39Å; F223-W317 HydrophobicContact CZ-CG 3.39Å
224	A	90.7	Very high	91	Very high	13 Å²	13	34.7 Å²	34.7	11%	0.107	22%	0.216	C	C	.	.			trans	-117	153.8	178.8	0	0	0	0	0	110.6	G222 V229 Q273 R313	G222-A224 PolarHBondContact O-N 3.49Å; A224-V229 HydrophobicContact CB-CG1 3.72Å; A224-Q273 HydrophobicContact CB-CB 4.42Å; A224-R313 PolarHBondContact O-NH1 3.44Å
225	G	85.3	Confident	91.1	Very high	11 Å²	11	38.3 Å²	38.3	11%	0.113	24%	0.235	C	C	.	.	S	Bend	trans	-83	-68	172.2	0	0	0	0	0	112	R313	G225-R313 VanDerWaalsContact O-CZ 3.23Å; G225-R313 PolarHBondContact O-NH1 2.68Å; G225-R313 PolarHBondContact O-NH2 3.01Å; G225-R313 VanDerWaalsContact O-NH2 3.11Å
226	S	79.1	Confident	91.2	Very high	86 Å²	86	38.1 Å²	38.1	60%	0.601	23%	0.234	S	C	*	.	S	Bend	trans	-123.9	-0.6	176.9	33.1	0	0	0	0	113.3	E306	S226-E306 WeakPolarHBondContact OG-CG 3.38Å; S226-E306 PolarHBondContact OG-OE1 3.49Å
227	G	72	Confident	91.2	Very high	27 Å²	27	38.6 Å²	38.6	28%	0.278	24%	0.236	S	C	.	.	S	Bend	trans	-67.7	158.1	-175.2	0	0	0	0	0	114.2	V229	G227-V229 PolarHBondContact O-N 3.26Å
228	Q	80	Confident	91	Very high	169 Å²	169	43.1 Å²	43.1	79%	0.79	26%	0.257	S	S	*	.			trans	-67.7	123.5	171.3	-66.4	-65.7	-41.6	0	0	110	Q273	Q228-Q273 PolarHBondContact O-NE2 3.32Å
229	V	86.1	Confident	90.8	Very high	63 Å²	63	46.2 Å²	46.2	38%	0.382	27%	0.273	S	S	.	.			trans	-112.6	155.5	173.9	-63.7	0	0	0	0	110.1	A224 G227 H233	A224-V229 HydrophobicContact CB-CG1 3.72Å; G227-V229 PolarHBondContact O-N 3.26Å; V229-H233 HydrophobicContact CB-CB 4.08Å; V229-H233 HydrophobicContact CG2-CB 4.21Å
230	K	89.1	Confident	90.7	Very high	84 Å²	84	46.2 Å²	46.2	37%	0.365	27%	0.273	S	S	.	.			trans	-56.4	137.7	174.2	-175.2	176.7	168.9	176.1	0	109.6	G232 H233 L507 F509	K230-G232 PolarHBondContact O-N 2.96Å; K230-H233 WeakPolarHBondContact O-CB 3.42Å; K230-H233 PolarHBondContact O-N 2.99Å; K230-L507 PolarHBondContact NZ-O 3.49Å; K230-F509 HydrophobicContact CB-CZ 4.19Å; K230-F509 HydrophobicContact CD-CE1 4.28Å; K230-F509 HydrophobicContact CD-CE2 4.18Å; K230-F509 HydrophobicContact CD-CZ 3.66Å; K230-F509 HydrophobicContact CG-CZ 3.9Å
231	P	89.9	Confident	90.6	Very high	118 Å²	118	46.2 Å²	46.2	77%	0.766	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	136.6	172.4	-25.8	34.6	0	0	0	110.9	H233 F509	P231-H233 VanDerWaalsContact C-N 3.31Å; P231-H233 PolarHBondContact O-N 3.17Å; P231-F509 WeakPolarHBondContact O-CZ 3.38Å
232	G	90.9	Very high	90.4	Very high	30 Å²	30	48 Å²	48	31%	0.309	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	-9.4	-176	0	0	0	0	0	115.2	K230 S234 I235 A236	K230-G232 PolarHBondContact O-N 2.96Å; G232-S234 PolarHBondContact O-N 2.74Å; G232-I235 WeakPolarHBondContact O-CG2 3.47Å; G232-I235 PolarHBondContact O-N 2.86Å; G232-A236 WeakPolarHBondContact O-CB 3.49Å; G232-A236 PolarHBondContact O-N 3.45Å
233	H	93.9	Very high	90.2	Very high	9 Å²	9	48.8 Å²	48.8	4%	0.042	29%	0.285	C	S	.	.	H	α-helix	trans	-58.9	-45.6	-176.2	177.1	-112.3	0	0	0	114	L221 G222 V229 K230 P231 I235 A236 L237 F509	L221-H233 PolarHBondContact O-CE1 2.71Å; L221-H233 PolarHBondContact O-NE2 3.23Å; G222-H233 PolarHBondContact O-CE1 2.85Å; G222-H233 VanDerWaalsContact O-CE1 3.27Å; V229-H233 HydrophobicContact CB-CB 4.08Å; V229-H233 HydrophobicContact CG2-CB 4.21Å; K230-H233 WeakPolarHBondContact O-CB 3.42Å; K230-H233 PolarHBondContact O-N 2.99Å; P231-H233 VanDerWaalsContact C-N 3.31Å; P231-H233 PolarHBondContact O-N 3.17Å; H233-I235 VanDerWaalsContact C-N 3.35Å; H233-I235 PolarHBondContact O-N 3.16Å; H233-A236 PolarHBondContact O-N 2.86Å; H233-L237 VanDerWaalsContact CE1-CD1 3.47Å; H233-L237 WeakPolarHBondContact CE1-CD1 3.32Å; H233-L237 PolarHBondContact O-N 2.87Å; H233-F509 HydrophobicContact CB-CE1 3.99Å; H233-F509 HydrophobicContact CB-CZ 4.3Å
234	S	92.6	Very high	90	Very high	94 Å²	94	48.1 Å²	48.1	66%	0.657	28%	0.283	S	S	*	.	H	α-helix	trans	-65.1	-36.3	179.4	-172.7	0	0	0	0	113	G232 Q238	G232-S234 PolarHBondContact O-N 2.74Å; S234-Q238 PolarHBondContact O-N 3.17Å
235	I	94.2	Very high	89.8	Confident	80 Å²	80	52.7 Å²	52.7	41%	0.41	30%	0.297	S	S	.	.	H	α-helix	trans	-74.3	-38.1	176.9	-177.7	63.5	0	0	0	110.3	G232 H233 L237 Q238 L239	G232-I235 WeakPolarHBondContact O-CG2 3.47Å; G232-I235 PolarHBondContact O-N 2.86Å; H233-I235 VanDerWaalsContact C-N 3.35Å; H233-I235 PolarHBondContact O-N 3.16Å; I235-L237 VanDerWaalsContact C-N 3.34Å; I235-L237 PolarHBondContact O-N 2.93Å; I235-Q238 PolarHBondContact O-N 2.84Å; I235-Q238 VanDerWaalsContact O-N 3.16Å; I235-L239 HydrophobicContact CD1-CG 4.24Å; I235-L239 HydrophobicContact CG1-CD1 4.04Å; I235-L239 HydrophobicContact CG1-CG 4.2Å; I235-L239 WeakPolarHBondContact O-CB 3.39Å; I235-L239 VanDerWaalsContact O-CG 3.31Å; I235-L239 WeakPolarHBondContact O-CG 3.05Å; I235-L239 PolarHBondContact O-N 3.38Å
236	A	96.1	Very high	89.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-59.1	-43.5	174.9	0	0	0	0	0	112	G232 H233 Q238 L239 L240 F505 F509 F526	G232-A236 WeakPolarHBondContact O-CB 3.49Å; G232-A236 PolarHBondContact O-N 3.45Å; H233-A236 PolarHBondContact O-N 2.86Å; A236-Q238 VanDerWaalsContact C-N 3.34Å; A236-Q238 PolarHBondContact O-N 2.95Å; A236-L239 PolarHBondContact O-N 3.33Å; A236-L240 WeakPolarHBondContact O-CB 3.35Å; A236-L240 PolarHBondContact O-N 2.72Å; A236-F505 HydrophobicContact CB-CE1 4.09Å; A236-F505 HydrophobicContact CB-CZ 3.91Å; A236-F509 HydrophobicContact CB-CB 3.98Å; A236-F509 HydrophobicContact CB-CD1 3.6Å; A236-F509 HydrophobicContact CB-CD2 4.24Å; A236-F509 HydrophobicContact CB-CE1 4.16Å; A236-F509 HydrophobicContact CB-CG 3.68Å; A236-F526 HydrophobicContact CB-CB 4.12Å; A236-F526 WeakPolarHBondContact CB-O 3.4Å
237	L	96.6	Very high	89.1	Confident	10 Å²	10	51 Å²	51	5%	0.052	28%	0.283	C	S	.	.	H	α-helix	trans	-62.4	-39.1	175.4	-75.4	172.4	0	0	0	112.7	L221 F223 H233 I235 A241 W317 F505	L221-L237 HydrophobicContact CB-CD2 4.3Å; L221-L237 HydrophobicContact CD2-CD2 3.78Å; F223-L237 HydrophobicContact CD1-CD1 4.26Å; F223-L237 HydrophobicContact CE1-CD1 3.82Å; F223-L237 HydrophobicContact CE2-CD1 4.12Å; F223-L237 HydrophobicContact CE2-CD2 3.92Å; F223-L237 HydrophobicContact CZ-CD1 3.72Å; F223-L237 HydrophobicContact CZ-CD2 3.93Å; F223-L237 HydrophobicContact CZ-CG 4.34Å; H233-L237 VanDerWaalsContact CE1-CD1 3.47Å; H233-L237 WeakPolarHBondContact CE1-CD1 3.32Å; H233-L237 PolarHBondContact O-N 2.87Å; I235-L237 VanDerWaalsContact C-N 3.34Å; I235-L237 PolarHBondContact O-N 2.93Å; L237-A241 PolarHBondContact O-N 2.79Å; L237-A241 VanDerWaalsContact O-N 3.11Å; L237-W317 PolarHBondContact O-NE1 2.84Å; L237-F505 HydrophobicContact CD2-CD1 4Å; L237-F505 HydrophobicContact CD2-CE1 3.59Å; L237-F505 HydrophobicContact CD2-CZ 4.42Å; L237-F505 HydrophobicContact CG-CE1 3.94Å
238	Q	94.5	Very high	88.6	Confident	94 Å²	94	49.8 Å²	49.8	44%	0.439	27%	0.271	S	S	.	.	H	α-helix	trans	-67.5	-47.1	176.2	-174.2	61.9	48	0	0	111	S234 I235 A236 L240 A241 D242	S234-Q238 PolarHBondContact O-N 3.17Å; I235-Q238 PolarHBondContact O-N 2.84Å; I235-Q238 VanDerWaalsContact O-N 3.16Å; A236-Q238 VanDerWaalsContact C-N 3.34Å; A236-Q238 PolarHBondContact O-N 2.95Å; Q238-L240 VanDerWaalsContact C-N 3.31Å; Q238-L240 PolarHBondContact O-N 2.81Å; Q238-A241 PolarHBondContact O-N 3.05Å; Q238-D242 PolarHBondContact NE2-OD1 2.93Å; Q238-D242 WeakPolarHBondContact O-CB 3.5Å; Q238-D242 PolarHBondContact O-N 2.87Å
239	L	94.5	Very high	87.7	Confident	65 Å²	65	42.1 Å²	42.1	34%	0.34	24%	0.236	S	C	.	.	H	α-helix	trans	-61.6	-38.7	177.7	-68.9	173.9	0	0	0	112	I235 A236 D242 W243 F526	I235-L239 HydrophobicContact CD1-CG 4.24Å; I235-L239 HydrophobicContact CG1-CD1 4.04Å; I235-L239 HydrophobicContact CG1-CG 4.2Å; I235-L239 WeakPolarHBondContact O-CB 3.39Å; I235-L239 VanDerWaalsContact O-CG 3.31Å; I235-L239 WeakPolarHBondContact O-CG 3.05Å; I235-L239 PolarHBondContact O-N 3.38Å; A236-L239 PolarHBondContact O-N 3.33Å; L239-D242 PolarHBondContact O-N 3.42Å; L239-W243 VanDerWaalsContact O-CB 3.28Å; L239-W243 WeakPolarHBondContact O-CB 3.37Å; L239-W243 PolarHBondContact O-N 3.2Å; L239-F526 HydrophobicContact CB-CB 4.26Å; L239-F526 HydrophobicContact CB-CD1 3.73Å; L239-F526 HydrophobicContact CB-CG 4.33Å
240	L	95.8	Very high	86.2	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.7	-49.4	172.8	173.3	63.7	0	0	0	111.2	V218 L221 A236 Q238 D242 W243 I244 W317 F505 L511 F526	V218-L240 HydrophobicContact CG2-CD2 4.28Å; L221-L240 HydrophobicContact CD2-CD2 3.86Å; A236-L240 WeakPolarHBondContact O-CB 3.35Å; A236-L240 PolarHBondContact O-N 2.72Å; Q238-L240 VanDerWaalsContact C-N 3.31Å; Q238-L240 PolarHBondContact O-N 2.81Å; L240-D242 VanDerWaalsContact C-N 3.33Å; L240-D242 PolarHBondContact O-N 3.34Å; L240-W243 PolarHBondContact O-N 2.99Å; L240-I244 HydrophobicContact CD1-CD1 3.77Å; L240-I244 HydrophobicContact CD1-CG1 4.22Å; L240-I244 HydrophobicContact CG-CD1 3.91Å; L240-I244 VanDerWaalsContact O-CG1 3.25Å; L240-I244 WeakPolarHBondContact O-CG1 3.39Å; L240-I244 PolarHBondContact O-N 3.25Å; L240-W317 HydrophobicContact CD2-CH2 4.14Å; L240-W317 HydrophobicContact CD2-CZ2 3.78Å; L240-W317 HydrophobicContact CG-CZ2 4.06Å; L240-F505 HydrophobicContact CB-CE2 4.28Å; L240-F505 HydrophobicContact CB-CZ 4.09Å; L240-F505 HydrophobicContact CD2-CD2 4.23Å; L240-F505 HydrophobicContact CD2-CE2 3.73Å; L240-F505 HydrophobicContact CD2-CZ 3.92Å; L240-F505 HydrophobicContact CG-CE2 4.43Å; L240-L511 HydrophobicContact CD1-CB 4.07Å; L240-L511 HydrophobicContact CD1-CD1 4.26Å; L240-L511 HydrophobicContact CD1-CD2 3.92Å; L240-L511 HydrophobicContact CD1-CG 4.31Å; L240-F526 HydrophobicContact CB-CD2 4.21Å; L240-F526 HydrophobicContact CB-CE2 4.1Å; L240-F526 HydrophobicContact CB-CZ 4.28Å; L240-F526 HydrophobicContact CD1-CD2 4.35Å; L240-F526 HydrophobicContact CD1-CE2 3.53Å; L240-F526 HydrophobicContact CD1-CZ 3.76Å; L240-F526 HydrophobicContact CG-CE2 4.39Å
241	A	94.9	Very high	84.4	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.9	-43.5	177.2	0	0	0	0	0	111.7	L237 Q238 I244 R245 W317 L321	L237-A241 PolarHBondContact O-N 2.79Å; L237-A241 VanDerWaalsContact O-N 3.11Å; Q238-A241 PolarHBondContact O-N 3.05Å; A241-I244 PolarHBondContact O-N 3.33Å; A241-R245 VanDerWaalsContact O-CG 3.28Å; A241-R245 WeakPolarHBondContact O-CG 3.42Å; A241-R245 PolarHBondContact O-N 3.48Å; A241-W317 HydrophobicContact CB-CZ2 4.41Å; A241-L321 HydrophobicContact CB-CD2 3.82Å
242	D	91.7	Very high	82.6	Confident	37 Å²	37	47.7 Å²	47.7	20%	0.198	26%	0.258	C	S	.	.	H	α-helix	trans	-62.3	-45.1	179.2	-65.7	-4.5	0	0	0	111.5	Q238 L239 L240 I244 R245 C246	Q238-D242 PolarHBondContact NE2-OD1 2.93Å; Q238-D242 WeakPolarHBondContact O-CB 3.5Å; Q238-D242 PolarHBondContact O-N 2.87Å; L239-D242 PolarHBondContact O-N 3.42Å; L240-D242 VanDerWaalsContact C-N 3.33Å; L240-D242 PolarHBondContact O-N 3.34Å; D242-I244 PolarHBondContact O-N 3.45Å; D242-R245 PolarHBondContact O-N 3.48Å; D242-R245 IonicContact OD1-CZ 2.76Å; D242-R245 IonicContact OD1-NE 2.76Å; D242-R245 PolarHBondContact OD1-NE 2.89Å; D242-R245 IonicContact OD1-NH2 2.73Å; D242-R245 PolarHBondContact OD1-NH2 2.92Å; D242-R245 IonicContact OD2-NH2 3.2Å; D242-C246 PolarHBondContact O-N 2.65Å; D242-C246 VanDerWaalsContact O-N 3.08Å
243	W	90.3	Very high	80.8	Confident	20 Å²	20	48.3 Å²	48.3	8%	0.076	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-42.7	175.9	-173.3	93.3	0	0	0	112.1	F208 L239 L240 C246 A247 G248 L262 L511 L513 V524 F526	F208-W243 HydrophobicContact CD1-CH2 4.46Å; F208-W243 HydrophobicContact CD1-CZ2 4.39Å; F208-W243 AromaticContact CE1-CH2 3.78Å; F208-W243 HydrophobicContact CE1-CH2 3.78Å; F208-W243 HydrophobicContact CE1-CZ2 4.14Å; F208-W243 AromaticContact CZ-CH2 3.86Å; F208-W243 HydrophobicContact CZ-CH2 3.86Å; F208-W243 HydrophobicContact CZ-CZ2 4.31Å; L239-W243 VanDerWaalsContact O-CB 3.28Å; L239-W243 WeakPolarHBondContact O-CB 3.37Å; L239-W243 PolarHBondContact O-N 3.2Å; L240-W243 PolarHBondContact O-N 2.99Å; W243-C246 CarbonylContact O-C 3.58Å; W243-C246 PolarHBondContact O-N 2.81Å; W243-A247 PolarHBondContact O-N 2.97Å; W243-G248 VanDerWaalsContact CE2-CA 3.48Å; W243-G248 PolarHBondContact O-N 2.87Å; W243-L262 HydrophobicContact CZ3-CD2 4.21Å; W243-L511 HydrophobicContact CE3-CD2 3.69Å; W243-L511 HydrophobicContact CH2-CD2 4.18Å; W243-L511 HydrophobicContact CZ3-CD2 3.44Å; W243-L511 VanDerWaalsContact CZ3-CD2 3.44Å; W243-L513 HydrophobicContact CH2-CD1 3.62Å; W243-L513 HydrophobicContact CH2-CD2 3.69Å; W243-L513 HydrophobicContact CH2-CG 4.25Å; W243-L513 HydrophobicContact CZ2-CD1 3.94Å; W243-L513 HydrophobicContact CZ3-CD2 4.04Å; W243-V524 HydrophobicContact CH2-CG2 4.43Å; W243-V524 HydrophobicContact CZ2-CG2 3.87Å; W243-F526 HydrophobicContact CB-CE1 3.67Å; W243-F526 HydrophobicContact CB-CZ 4Å; W243-F526 HydrophobicContact CD2-CZ 4.35Å; W243-F526 AromaticContact CG-CE1 3.93Å; W243-F526 HydrophobicContact CG-CE1 3.93Å; W243-F526 HydrophobicContact CG-CZ 4.04Å
244	I	91.4	Very high	78.7	Confident	1 Å²	1	54 Å²	54	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-64.6	-42.3	176.1	-68.8	167	0	0	0	111.2	L240 A241 D242 C246 A247 L262 L265 L321 P322 I337	L240-I244 HydrophobicContact CD1-CD1 3.77Å; L240-I244 HydrophobicContact CD1-CG1 4.22Å; L240-I244 HydrophobicContact CG-CD1 3.91Å; L240-I244 VanDerWaalsContact O-CG1 3.25Å; L240-I244 WeakPolarHBondContact O-CG1 3.39Å; L240-I244 PolarHBondContact O-N 3.25Å; A241-I244 PolarHBondContact O-N 3.33Å; D242-I244 PolarHBondContact O-N 3.45Å; I244-C246 VanDerWaalsContact C-N 3.25Å; I244-C246 PolarHBondContact O-N 3.48Å; I244-A247 WeakPolarHBondContact O-CA 3.18Å; I244-A247 PolarHBondContact O-N 3.18Å; I244-L262 HydrophobicContact CB-CD2 4.47Å; I244-L262 HydrophobicContact CG1-CD2 4.18Å; I244-L262 HydrophobicContact CG2-CD2 4.03Å; I244-L265 HydrophobicContact CD1-CD1 4.33Å; I244-L265 HydrophobicContact CD1-CD2 3.97Å; I244-L321 HydrophobicContact CB-CD2 4.33Å; I244-L321 HydrophobicContact CD1-CD2 4.3Å; I244-L321 HydrophobicContact CG2-CD2 4.2Å; I244-P322 HydrophobicContact CG2-CG 4.23Å; I244-I337 HydrophobicContact CG2-CD1 3.54Å
245	R	86.9	Confident	76.8	Confident	109 Å²	109	55.9 Å²	55.9	41%	0.411	30%	0.297	S	S	.	.	H	α-helix	trans	-60.5	-36.4	177.2	-74.3	-178.9	-50.7	101.3	-8.9	112.3	A241 D242 A247 S320	A241-R245 VanDerWaalsContact O-CG 3.28Å; A241-R245 WeakPolarHBondContact O-CG 3.42Å; A241-R245 PolarHBondContact O-N 3.48Å; D242-R245 PolarHBondContact O-N 3.48Å; D242-R245 IonicContact OD1-CZ 2.76Å; D242-R245 IonicContact OD1-NE 2.76Å; D242-R245 PolarHBondContact OD1-NE 2.89Å; D242-R245 IonicContact OD1-NH2 2.73Å; D242-R245 PolarHBondContact OD1-NH2 2.92Å; D242-R245 IonicContact OD2-NH2 3.2Å; R245-A247 VanDerWaalsContact C-N 3.27Å; R245-S320 WeakPolarHBondContact CD-O 3.46Å
246	C	79.5	Confident	74.6	Confident	43 Å²	43	57.3 Å²	57.3	29%	0.291	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-3.4	174.7	-70.9	0	0	0	0	113	D242 W243 I244 G248 D249	D242-C246 PolarHBondContact O-N 2.65Å; D242-C246 VanDerWaalsContact O-N 3.08Å; W243-C246 CarbonylContact O-C 3.58Å; W243-C246 PolarHBondContact O-N 2.81Å; I244-C246 VanDerWaalsContact C-N 3.25Å; I244-C246 PolarHBondContact O-N 3.48Å; C246-G248 PolarHBondContact O-N 3.36Å; C246-G248 VanDerWaalsContact O-N 3.13Å; C246-D249 WeakPolarHBondContact CB-O 3.41Å; C246-D249 PolarHBondContact O-N 3.05Å
247	A	71.3	Confident	72.3	Confident	17 Å²	17	62.2 Å²	62.2	14%	0.14	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	35.7	-171.4	0	0	0	0	0	112.6	F208 W243 I244 R245 D249	F208-A247 WeakPolarHBondContact CD1-O 3.49Å; F208-A247 WeakPolarHBondContact CE1-O 3.49Å; W243-A247 PolarHBondContact O-N 2.97Å; I244-A247 WeakPolarHBondContact O-CA 3.18Å; I244-A247 PolarHBondContact O-N 3.18Å; R245-A247 VanDerWaalsContact C-N 3.27Å; A247-D249 VanDerWaalsContact C-N 3.28Å; A247-D249 PolarHBondContact O-N 2.98Å
248	G	60.4	Low	70.1	Confident	2 Å²	2	68.1 Å²	68.1	2%	0.021	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	-10	-174.8	0	0	0	0	0	116.5	T205 W243 C246	T205-G248 VanDerWaalsContact O-O 3.08Å; W243-G248 VanDerWaalsContact CE2-CA 3.48Å; W243-G248 PolarHBondContact O-N 2.87Å; C246-G248 PolarHBondContact O-N 3.36Å; C246-G248 VanDerWaalsContact O-N 3.13Å
249	D	61.6	Low	68.1	Low	9 Å²	9	67.1 Å²	67.1	5%	0.048	37%	0.371	C	S	.	.			trans	-103.7	105.2	179.4	-176.6	12.1	0	0	0	111.3	R209 C246 A247 Y251 S253	R209-D249 HydrophobicContact CB-CB 3.93Å; C246-D249 WeakPolarHBondContact CB-O 3.41Å; C246-D249 PolarHBondContact O-N 3.05Å; A247-D249 VanDerWaalsContact C-N 3.28Å; A247-D249 PolarHBondContact O-N 2.98Å; D249-Y251 VanDerWaalsContact C-N 3.33Å; D249-Y251 VanDerWaalsContact OD1-C 3.26Å; D249-Y251 WeakPolarHBondContact OD1-CA 3.26Å; D249-Y251 PolarHBondContact OD1-N 3.35Å; D249-S253 PolarHBondContact OD2-OG 2.81Å
250	F	53.6	Low	66.8	Low	133 Å²	133	65 Å²	65	58%	0.583	36%	0.362	S	S	*	.	S	Bend	trans	-79.9	-16	174.2	-71.7	-83	0	0	0	112.8
251	Y	51.8	Low	66.1	Low	182 Å²	182	65.1 Å²	65.1	71%	0.714	36%	0.363	S	S	*	.	S	Bend	trans	-113.9	86.2	-175.4	-65.5	-76.8	0	0	0	109.4	T206 D249 S253	T206-Y251 HydrophobicContact CG2-CD2 4.24Å; D249-Y251 VanDerWaalsContact C-N 3.33Å; D249-Y251 VanDerWaalsContact OD1-C 3.26Å; D249-Y251 WeakPolarHBondContact OD1-CA 3.26Å; D249-Y251 PolarHBondContact OD1-N 3.35Å; Y251-S253 PolarHBondContact O-N 3.22Å
252	G	52.1	Low	65.8	Low	66 Å²	66	65.2 Å²	65.2	68%	0.68	36%	0.363	S	S	*	.			trans	-45.4	95.4	-176	0	0	0	0	0	114
253	S	52.9	Low	65.7	Low	44 Å²	44	64.4 Å²	64.4	31%	0.308	36%	0.359	S	S	.	.			trans	-75	129.3	172.9	50.9	0	0	0	0	108.6	D249 Y251 E255	D249-S253 PolarHBondContact OD2-OG 2.81Å; Y251-S253 PolarHBondContact O-N 3.22Å; S253-E255 PolarHBondContact O-N 3.14Å
254	S	50.6	Low	65.8	Low	129 Å²	129	63.5 Å²	63.5	90%	0.902	36%	0.356	S	S	*	.			trans	-81.9	9.4	-175.7	-66.6	0	0	0	0	113.8
255	E	52.8	Low	66	Low	132 Å²	132	63.5 Å²	63.5	62%	0.617	36%	0.355	S	S	*	.			trans	-88.5	118.8	-178.3	-66.5	-166.1	167.4	0	0	111.4	S253 H257	S253-E255 PolarHBondContact O-N 3.14Å; E255-H257 PolarHBondContact O-N 3.22Å; E255-H257 IonicContact OE2-CD2 3.18Å; E255-H257 IonicContact OE2-CE1 2.66Å; E255-H257 IonicContact OE2-NE2 3.48Å; E255-H257 PolarHBondContact OE2-NE2 3.41Å
256	S	47.4	Very low	66.6	Low	110 Å²	110	58.3 Å²	58.3	77%	0.769	34%	0.336	S	S	*	.			trans	-76.7	81.1	176.6	59.3	0	0	0	0	110.9
257	H	47.6	Very low	67.5	Low	103 Å²	103	56.3 Å²	56.3	48%	0.477	32%	0.322	S	S	.	.			trans	-91.9	141.6	170.3	-67.6	-62.3	0	0	0	111.2	E255	E255-H257 PolarHBondContact O-N 3.22Å; E255-H257 IonicContact OE2-CD2 3.18Å; E255-H257 IonicContact OE2-CE1 2.66Å; E255-H257 IonicContact OE2-NE2 3.48Å; E255-H257 PolarHBondContact OE2-NE2 3.41Å
258	T	50.4	Low	68.8	Low	134 Å²	134	55.5 Å²	55.5	82%	0.822	32%	0.316	S	S	*	.	S	Bend	trans	-78.1	-20.2	-176.2	47	0	0	0	0	114.1	S260	T258-S260 PolarHBondContact O-N 3.03Å
259	D	52.1	Low	70.5	Confident	73 Å²	73	55.4 Å²	55.4	39%	0.39	32%	0.315	S	S	.	.	S	Bend	trans	-89.5	89.3	179.7	-82	-15.1	0	0	0	110.1	K517	D259-K517 VanDerWaalsContact CG-NZ 3.33Å; D259-K517 IonicContact OD1-NZ 3.81Å; D259-K517 IonicContact OD2-NZ 3.98Å; D259-K517 PolarHBondContact OD2-NZ 3.5Å
260	S	68.2	Low	72.1	Confident	21 Å²	21	55.4 Å²	55.4	15%	0.147	32%	0.315	C	S	.	.			trans	-65.6	137.8	-175.9	32.1	0	0	0	0	112.9	G212 P213 T258 I263	G212-S260 WeakPolarHBondContact CA-O 3.41Å; P213-S260 WeakPolarHBondContact CA-O 3.39Å; T258-S260 PolarHBondContact O-N 3.03Å; S260-I263 VanDerWaalsContact OG-CG2 3.26Å; S260-I263 WeakPolarHBondContact OG-CG2 3.22Å
261	G	80.1	Confident	74.2	Confident	2 Å²	2	49 Å²	49	2%	0.021	29%	0.287	C	S	.	.	S	Bend	trans	-56.4	-111.7	176	0	0	0	0	0	115	R209 W214 I263	R209-G261 WeakPolarHBondContact O-CA 3.5Å; R209-G261 PolarHBondContact O-N 3.47Å; W214-G261 PolarHBondContact N-O 3.36Å; G261-I263 PolarHBondContact O-N 3.14Å
262	L	88.5	Confident	76.2	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	120.4	173.7	-178.3	69.5	0	0	0	109.6	F208 W243 I244 H264 I337 L513	F208-L262 HydrophobicContact CE1-CB 4.36Å; W243-L262 HydrophobicContact CZ3-CD2 4.21Å; I244-L262 HydrophobicContact CB-CD2 4.47Å; I244-L262 HydrophobicContact CG1-CD2 4.18Å; I244-L262 HydrophobicContact CG2-CD2 4.03Å; L262-H264 WeakPolarHBondContact CD1-O 3.32Å; L262-I337 HydrophobicContact CD2-CD1 4.49Å; L262-I337 HydrophobicContact CD2-CG2 4.43Å; L262-I337 HydrophobicContact CG-CG2 4.28Å; L262-I337 WeakPolarHBondContact O-CG2 3.29Å; L262-L513 HydrophobicContact CD1-CD2 4.24Å
263	I	89.4	Confident	77.9	Confident	21 Å²	21	38.8 Å²	38.8	11%	0.108	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	-22.6	-177.9	60	156.8	0	0	0	113.9	P213 W214 S260 G261 S338 L389 R390 L516	P213-I263 HydrophobicContact CB-CD1 3.6Å; P213-I263 HydrophobicContact CB-CG1 4.02Å; P213-I263 HydrophobicContact CB-CG2 4.28Å; W214-I263 VanDerWaalsContact O-CG1 3.27Å; W214-I263 WeakPolarHBondContact O-CG1 3.41Å; W214-I263 PolarHBondContact O-N 3.22Å; S260-I263 VanDerWaalsContact OG-CG2 3.26Å; S260-I263 WeakPolarHBondContact OG-CG2 3.22Å; G261-I263 PolarHBondContact O-N 3.14Å; I263-S338 PolarHBondContact O-N 3.45Å; I263-S338 PolarHBondContact O-OG 3.24Å; I263-L389 HydrophobicContact CD1-CD1 4.47Å; I263-L389 HydrophobicContact CD1-CD2 4.49Å; I263-R390 HydrophobicContact CD1-CG 4.14Å; I263-L516 HydrophobicContact CD1-CD1 4.05Å
264	H	93.1	Very high	79	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	141.6	-173.5	-167.8	81.3	0	0	0	110.4	V215 G216 L262 L266 S338 D340 L389	V215-H264 WeakPolarHBondContact CA-O 3.32Å; V215-H264 HydrophobicContact CG2-CB 4.34Å; G216-H264 PolarHBondContact N-O 2.93Å; L262-H264 WeakPolarHBondContact CD1-O 3.32Å; H264-L266 WeakPolarHBondContact NE2-CD2 3.38Å; H264-S338 CarbonylContact C-O 3.47Å; H264-S338 VanDerWaalsContact CA-O 3.31Å; H264-S338 WeakPolarHBondContact CA-O 3.44Å; H264-S338 PolarHBondContact ND1-O 3.45Å; H264-S338 PolarHBondContact ND1-OG 2.67Å; H264-D340 IonicContact CE1-OD2 3.66Å; H264-D340 PolarHBondContact CE1-OD2 3.33Å; H264-D340 IonicContact NE2-OD2 3.03Å; H264-D340 PolarHBondContact NE2-OD2 3.43Å; H264-L389 HydrophobicContact CB-CD2 3.94Å
265	L	96.2	Very high	79.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	123.7	177.1	-178.3	71.9	0	0	0	110.1	G216 V218 I244 I267 L321 I337 S338 I339 D340 L511	G216-L265 CarbonylContact O-C 3.59Å; G216-L265 WeakPolarHBondContact O-CA 3.42Å; V218-L265 HydrophobicContact CG1-CD1 4.39Å; I244-L265 HydrophobicContact CD1-CD1 4.33Å; I244-L265 HydrophobicContact CD1-CD2 3.97Å; L265-I267 HydrophobicContact CD2-CD1 4.15Å; L265-I267 HydrophobicContact CD2-CG1 4.1Å; L265-I267 HydrophobicContact CG-CG1 4.19Å; L265-L321 HydrophobicContact CD2-CD1 4.13Å; L265-I337 HydrophobicContact CB-CD1 4.09Å; L265-S338 PolarHBondContact N-O 2.63Å; L265-I339 HydrophobicContact CB-CG1 4.21Å; L265-I339 HydrophobicContact CD2-CD1 4.15Å; L265-I339 HydrophobicContact CD2-CG1 4.46Å; L265-I339 VanDerWaalsContact O-CA 3.32Å; L265-I339 WeakPolarHBondContact O-CA 3.23Å; L265-D340 PolarHBondContact O-N 2.81Å; L265-L511 HydrophobicContact CD1-CD1 4.1Å
266	L	98.2	Very high	80.2	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	125.2	169.8	-66.8	179.6	0	0	0	109.6	V215 G216 V217 V218 H264 L268 D340 F387 I394 A396	V215-L266 HydrophobicContact CG1-CD1 4.23Å; V215-L266 HydrophobicContact CG1-CG 4.19Å; G216-L266 PolarHBondContact O-N 3.01Å; V217-L266 WeakPolarHBondContact CA-O 3.4Å; V217-L266 HydrophobicContact CB-CB 4.44Å; V217-L266 HydrophobicContact CG1-CB 3.99Å; V217-L266 HydrophobicContact CG2-CB 4.21Å; V217-L266 HydrophobicContact CG2-CD1 4.16Å; V218-L266 PolarHBondContact N-O 2.89Å; H264-L266 WeakPolarHBondContact NE2-CD2 3.38Å; L266-L268 HydrophobicContact CB-CD2 4.06Å; L266-D340 HydrophobicContact CD2-CB 3.81Å; L266-F387 HydrophobicContact CD1-CE1 4.42Å; L266-F387 HydrophobicContact CD1-CZ 4.27Å; L266-F387 HydrophobicContact CD2-CE1 4.17Å; L266-F387 HydrophobicContact CD2-CZ 3.95Å; L266-I394 HydrophobicContact CD1-CG2 4.45Å; L266-A396 HydrophobicContact CD1-CB 4.29Å
267	I	98.4	Very high	80.1	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	111	172.1	-57.7	175.1	0	0	0	107.9	V218 L221 L265 F314 W317 L318 I339 D340 L341 L342	V218-I267 HydrophobicContact CG1-CB 4.38Å; V218-I267 HydrophobicContact CG1-CG1 3.84Å; V218-I267 HydrophobicContact CG1-CG2 4.44Å; V218-I267 CarbonylContact O-C 3.55Å; V218-I267 WeakPolarHBondContact O-CA 3.32Å; L221-I267 HydrophobicContact CD1-CD1 4.2Å; L221-I267 HydrophobicContact CD1-CG2 3.84Å; L221-I267 HydrophobicContact CG-CG2 4.43Å; L265-I267 HydrophobicContact CD2-CD1 4.15Å; L265-I267 HydrophobicContact CD2-CG1 4.1Å; L265-I267 HydrophobicContact CG-CG1 4.19Å; I267-F314 HydrophobicContact CD1-CE2 4.42Å; I267-F314 HydrophobicContact CD1-CZ 4.45Å; I267-W317 HydrophobicContact CD1-CZ3 4.11Å; I267-L318 HydrophobicContact CD1-CD2 3.6Å; I267-I339 HydrophobicContact CD1-CG2 3.92Å; I267-I339 HydrophobicContact CG1-CG2 4.29Å; I267-D340 PolarHBondContact N-O 3.03Å; I267-L341 HydrophobicContact CB-CD1 3.74Å; I267-L341 HydrophobicContact CG2-CD1 3.59Å; I267-L342 PolarHBondContact O-N 3.41Å
268	L	98.5	Very high	79.5	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	85.5	-169.2	-53.3	-173.3	0	0	0	111.5	V217 V218 S219 L266 L342 A396 V468 C471	V217-L268 HydrophobicContact CG1-CD1 3.42Å; V217-L268 VanDerWaalsContact CG1-CD1 3.42Å; V217-L268 HydrophobicContact CG1-CG 3.75Å; V218-L268 PolarHBondContact O-N 3.3Å; S219-L268 WeakPolarHBondContact CA-O 3.35Å; S219-L268 VanDerWaalsContact CB-O 3.32Å; S219-L268 WeakPolarHBondContact CB-O 3.31Å; L266-L268 HydrophobicContact CB-CD2 4.06Å; L268-L342 HydrophobicContact CD2-CD1 4Å; L268-L342 HydrophobicContact CD2-CD2 4.05Å; L268-L342 HydrophobicContact CD2-CG 4.41Å; L268-A396 HydrophobicContact CD2-CB 3.88Å; L268-V468 HydrophobicContact CD1-CB 4.31Å; L268-V468 HydrophobicContact CD1-CG1 3.75Å; L268-C471 PolarHBondContact O-SG 3.16Å
269	G	97	Very high	79.1	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	62.1	170	169.2	0	0	0	0	0	116.9	A220 S271 L342 S398	A220-G269 VanDerWaalsContact CA-O 3.31Å; A220-G269 WeakPolarHBondContact CA-O 3.13Å; A220-G269 PolarHBondContact N-O 2.94Å; G269-S271 PolarHBondContact O-N 3.08Å; G269-L342 WeakPolarHBondContact CA-O 3.48Å; G269-L342 PolarHBondContact N-O 2.83Å; G269-S398 PolarHBondContact N-OG 3.3Å
270	D	95.6	Very high	78.4	Confident	9 Å²	9	35.1 Å²	35.1	5%	0.048	21%	0.207	C	C	.	.			trans	48.6	44	-179.8	-70.1	-20.4	0	0	0	112.1	A220 L221 G222 I272 P345 S346 D347 R504	A220-D270 CarbonylContact C-O 3.56Å; A220-D270 VanDerWaalsContact CA-O 3.29Å; A220-D270 WeakPolarHBondContact CA-O 3.42Å; A220-D270 HydrophobicContact CB-CB 3.85Å; L221-D270 PolarHBondContact N-O 2.71Å; G222-D270 PolarHBondContact N-O 3.02Å; G222-D270 VanDerWaalsContact N-O 3.17Å; D270-I272 PolarHBondContact O-N 2.98Å; D270-P345 WeakPolarHBondContact OD1-CD 3.37Å; D270-P345 WeakPolarHBondContact OD1-CG 3.41Å; D270-S346 WeakPolarHBondContact OD1-CB 3.31Å; D270-S346 PolarHBondContact OD1-N 3.45Å; D270-S346 PolarHBondContact OD1-OG 3.06Å; D270-D347 PolarHBondContact N-OD2 2.7Å; D270-R504 IonicContact OD2-CZ 3.42Å; D270-R504 IonicContact OD2-NH1 2.63Å; D270-R504 PolarHBondContact OD2-NH1 3.47Å; D270-R504 IonicContact OD2-NH2 3.43Å
271	S	97.2	Very high	76.7	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.238	C	C	.	.			trans	-61.6	-34.5	177.9	-60.7	0	0	0	0	110.4	G222 F223 G269 F314 L341 D347	G222-S271 PolarHBondContact N-O 3.31Å; F223-S271 WeakPolarHBondContact CD2-O 3.34Å; F223-S271 PolarHBondContact N-O 2.9Å; G269-S271 PolarHBondContact O-N 3.08Å; S271-F314 WeakPolarHBondContact OG-CZ 3.33Å; S271-L341 WeakPolarHBondContact OG-CD1 3.25Å; S271-D347 WeakPolarHBondContact CB-OD1 3.4Å; S271-D347 PolarHBondContact N-OD1 2.96Å; S271-D347 PolarHBondContact N-OD2 3.13Å
272	I	94.6	Very high	74.4	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.015	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-108.9	152.8	170.1	64	172.3	0	0	0	111.4	F223 D270 T307 A310 M311 F314 S346 D347	F223-I272 HydrophobicContact CB-CG2 4.31Å; F223-I272 CarbonylContact O-C 3.56Å; F223-I272 VanDerWaalsContact O-CA 3.3Å; F223-I272 WeakPolarHBondContact O-CA 3.47Å; D270-I272 PolarHBondContact O-N 2.98Å; I272-T307 HydrophobicContact CD1-CG2 4.32Å; I272-A310 HydrophobicContact CB-CB 3.94Å; I272-A310 HydrophobicContact CG2-CB 3.79Å; I272-M311 HydrophobicContact CG2-CB 4.5Å; I272-M311 HydrophobicContact CG2-SD 4.17Å; I272-F314 HydrophobicContact CG2-CB 4.48Å; I272-S346 WeakPolarHBondContact CD1-O 3.35Å; I272-S346 WeakPolarHBondContact CG1-O 3.43Å; I272-S346 WeakPolarHBondContact O-CB 3.25Å; I272-D347 PolarHBondContact N-OD1 3.47Å
273	Q	87.4	Confident	71.7	Confident	29 Å²	29	52 Å²	52	14%	0.136	31%	0.305	C	S	.	.			trans	-74.5	138.9	174.5	-161.8	-179.2	29.4	0	0	110.6	F223 A224 Q228	F223-Q273 PolarHBondContact O-N 2.77Å; A224-Q273 HydrophobicContact CB-CB 4.42Å; Q228-Q273 PolarHBondContact O-NE2 3.32Å
274	A	76.4	Confident	69.1	Low	37 Å²	37	57 Å²	57	31%	0.306	33%	0.332	S	S	.	.			trans	-64.5	136.6	166.5	0	0	0	0	0	110	K276	A274-K276 PolarHBondContact O-N 2.79Å
275	S	66.5	Low	66.2	Low	69 Å²	69	67 Å²	67	48%	0.483	38%	0.375	S	S	.	.			trans	-56.5	109.5	174.2	-65.6	0	0	0	0	110	S277	S275-S277 PolarHBondContact O-N 3.29Å
276	K	60.5	Low	63.1	Low	111 Å²	111	71.1 Å²	71.1	48%	0.483	40%	0.403	S	S	.	.			trans	-74.6	100.6	168	-66	-176	178.8	-173.2	0	106.4	A274 S278	A274-K276 PolarHBondContact O-N 2.79Å; K276-S278 PolarHBondContact O-N 2.87Å; K276-S278 VanDerWaalsContact O-N 3.1Å
277	S	45.6	Very low	59.8	Low	73 Å²	73	74 Å²	74	51%	0.51	42%	0.42	S	S	.	.			trans	-58.9	118.9	164	54.3	0	0	0	0	107	S275 I279	S275-S277 PolarHBondContact O-N 3.29Å; S277-I279 PolarHBondContact O-N 3.19Å
278	S	36.3	Very low	56.8	Low	111 Å²	111	75.3 Å²	75.3	78%	0.776	43%	0.429	S	S	*	.			trans	-49.4	112	174	-39.6	0	0	0	0	108.7	K276 D280	K276-S278 PolarHBondContact O-N 2.87Å; K276-S278 VanDerWaalsContact O-N 3.1Å; S278-D280 PolarHBondContact O-N 2.91Å
279	I	41.5	Very low	53.8	Low	100 Å²	100	76.7 Å²	76.7	51%	0.513	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-10.7	-171.9	-74.8	168.3	0	0	0	112.3	S277	S277-I279 PolarHBondContact O-N 3.19Å
280	D	36.5	Very low	50.9	Low	148 Å²	148	80.6 Å²	80.6	79%	0.791	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-7.8	-165	-70.8	-18.6	0	0	0	117	S278	S278-D280 PolarHBondContact O-N 2.91Å
281	N	32.8	Very low	48.3	Very low	146 Å²	146	86.6 Å²	86.6	78%	0.781	49%	0.486	S	S	*	.	S	Bend	trans	-116.1	-4.9	-170.3	-77.7	-13.2	0	0	0	118.2
282	D	32.6	Very low	45.6	Very low	112 Å²	112	92.4 Å²	92.4	60%	0.599	52%	0.516	S	S	*	.			trans	-110.2	103.7	173.8	-83.7	-22.2	0	0	0	111.2	D284	D282-D284 PolarHBondContact O-N 3.31Å
283	S	31.9	Very low	43.1	Very low	120 Å²	120	96.8 Å²	96.8	84%	0.839	54%	0.544	S	S	*	.			trans	-66.8	25.1	169.7	55.2	0	0	0	0	114.1	K285	S283-K285 PolarHBondContact O-N 3.26Å
284	D	33.4	Very low	41.2	Very low	126 Å²	126	101.4 Å²	101.4	67%	0.674	57%	0.565	S	S	*	*			trans	-81.3	110.8	177.8	-95.6	-6.1	0	0	0	109.9	D282 C286	D282-D284 PolarHBondContact O-N 3.31Å; D284-C286 PolarHBondContact O-N 3.32Å
285	K	32.2	Very low	39.9	Very low	213 Å²	213	107 Å²	107	93%	0.926	58%	0.578	S	S	*	*			trans	-64.8	53.8	176	-65.6	179.8	175.9	-179.6	0	112.7	S283	S283-K285 PolarHBondContact O-N 3.26Å
286	C	32.4	Very low	39	Very low	86 Å²	86	105.8 Å²	105.8	58%	0.581	57%	0.573	S	S	*	*			trans	-87.8	125.2	170.4	-125.8	0	0	0	0	109.4	D284	D284-C286 PolarHBondContact O-N 3.32Å
287	T	29.5	Very low	38.5	Very low	60 Å²	60	109.5 Å²	109.5	37%	0.368	58%	0.584	S	S	.	*			trans	-55.7	146.8	-174	36.6	0	0	0	0	112.9	A289 V290	T287-A289 PolarHBondContact O-N 3.48Å; T287-A289 VanDerWaalsContact O-N 3.12Å; T287-V290 PolarHBondContact O-N 2.71Å
288	P	34	Very low	38.8	Very low	29 Å²	29	114.9 Å²	114.9	19%	0.188	59%	0.594	C	S	.	*	G	3₁₀ helix	trans	-60.6	-23.1	-173.6	20	-30.4	0	0	0	114.6	I111 I113 V290 R291	I111-P288 VanDerWaalsContact O-CG 3.28Å; I111-P288 WeakPolarHBondContact O-CG 3.42Å; I113-P288 HydrophobicContact CB-CB 4.46Å; P288-V290 VanDerWaalsContact C-N 3.29Å; P288-V290 PolarHBondContact O-N 3.03Å; P288-R291 VanDerWaalsContact O-CB 3.27Å; P288-R291 WeakPolarHBondContact O-CB 3.36Å; P288-R291 PolarHBondContact O-N 2.87Å
289	A	36.7	Very low	39.6	Very low	29 Å²	29	115 Å²	115	24%	0.24	59%	0.586	C	S	.	*	G	3₁₀ helix	trans	-62.6	-31.3	178.7	0	0	0	0	0	113.7	P93 D98 T287 R291	P93-A289 HydrophobicContact CB-CB 4.46Å; D98-A289 WeakPolarHBondContact OD2-CB 3.35Å; T287-A289 PolarHBondContact O-N 3.48Å; T287-A289 VanDerWaalsContact O-N 3.12Å; A289-R291 PolarHBondContact O-N 2.83Å
290	V	36	Very low	40.2	Very low	81 Å²	81	113.7 Å²	113.7	49%	0.491	58%	0.582	S	S	.	*	G	3₁₀ helix	trans	-70.9	-14.1	176.7	-176	0	0	0	0	112	T287 P288 L292 T293	T287-V290 PolarHBondContact O-N 2.71Å; P288-V290 VanDerWaalsContact C-N 3.29Å; P288-V290 PolarHBondContact O-N 3.03Å; V290-L292 VanDerWaalsContact C-N 3.31Å; V290-L292 PolarHBondContact O-N 2.87Å; V290-T293 PolarHBondContact O-N 2.85Å; V290-T293 PolarHBondContact O-OG1 2.98Å
291	R	41.2	Very low	40.9	Very low	136 Å²	136	117.5 Å²	117.5	51%	0.513	59%	0.585	S	S	.	*	G	3₁₀ helix	trans	-78.6	-10.6	-177	-57.5	-175.8	-179.7	-178.3	-4.2	114	S115 P288 A289 T293	S115-R291 WeakPolarHBondContact OG-CD 3.27Å; S115-R291 PolarHBondContact OG-NH1 3.38Å; P288-R291 VanDerWaalsContact O-CB 3.27Å; P288-R291 WeakPolarHBondContact O-CB 3.36Å; P288-R291 PolarHBondContact O-N 2.87Å; A289-R291 PolarHBondContact O-N 2.83Å; R291-T293 PolarHBondContact O-N 2.95Å
292	L	40.5	Very low	41.7	Very low	121 Å²	121	118 Å²	118	63%	0.634	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-70.8	-22	173.7	-156.7	71.9	0	0	0	111.9	V290	V290-L292 VanDerWaalsContact C-N 3.31Å; V290-L292 PolarHBondContact O-N 2.87Å
293	T	42.1	Very low	42.9	Very low	95 Å²	95	116.2 Å²	116.2	58%	0.583	59%	0.589	S	S	*	*	S	Bend	trans	-99.2	122.9	174.1	51.7	0	0	0	0	110.2	V290 R291 R295	V290-T293 PolarHBondContact O-N 2.85Å; V290-T293 PolarHBondContact O-OG1 2.98Å; R291-T293 PolarHBondContact O-N 2.95Å; T293-R295 PolarHBondContact O-N 3.22Å
294	Q	47	Very low	44.2	Very low	126 Å²	126	117.8 Å²	117.8	59%	0.589	59%	0.588	S	S	*	*			trans	-47.2	126.9	166.8	-71.2	175.7	-15.6	0	0	108.7	A296	Q294-A296 PolarHBondContact O-N 2.71Å
295	R	47.7	Very low	45.9	Very low	154 Å²	154	114.4 Å²	114.4	58%	0.581	58%	0.578	S	S	*	*			trans	-45.7	130.1	178.8	-88	-176.9	173.7	-179.5	-3.1	109.5	T293 R297	T293-R295 PolarHBondContact O-N 3.22Å; R295-R297 PolarHBondContact O-N 2.98Å
296	A	48.9	Very low	48.2	Very low	44 Å²	44	107.3 Å²	107.3	36%	0.364	55%	0.547	S	S	.	.			trans	-62.1	126.5	-177.7	0	0	0	0	0	110.9	Q294 Y298 L299	Q294-A296 PolarHBondContact O-N 2.71Å; A296-Y298 HydrophobicContact CB-CD1 3.53Å; A296-Y298 HydrophobicContact CB-CE1 3.2Å; A296-Y298 PolarHBondContact O-N 3.28Å; A296-L299 WeakPolarHBondContact O-CB 3.48Å; A296-L299 PolarHBondContact O-N 3.4Å
297	R	49	Very low	50.7	Low	189 Å²	189	105.4 Å²	105.4	71%	0.713	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-55.5	-20.5	-173.1	-71.3	-175.2	-178.1	168.7	2.2	115.2	R295 L299 T300	R295-R297 PolarHBondContact O-N 2.98Å; R297-L299 PolarHBondContact O-N 3.26Å; R297-T300 PolarHBondContact O-N 2.92Å; R297-T300 VanDerWaalsContact O-N 3.16Å; R297-T300 PolarHBondContact O-OG1 3.41Å; R297-T300 VanDerWaalsContact O-OG1 3.12Å
298	Y	53.7	Low	53.6	Low	187 Å²	187	107.1 Å²	107.1	73%	0.733	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-65.4	-18.1	175.8	69.9	-98.8	0	0	0	113	A296	A296-Y298 HydrophobicContact CB-CD1 3.53Å; A296-Y298 HydrophobicContact CB-CE1 3.2Å; A296-Y298 PolarHBondContact O-N 3.28Å
299	L	52.1	Low	56.3	Low	114 Å²	114	108.9 Å²	108.9	60%	0.597	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-82	-15.2	175.9	-64.5	172.1	0	0	0	113.4	A296 R297	A296-L299 WeakPolarHBondContact O-CB 3.48Å; A296-L299 PolarHBondContact O-N 3.4Å; R297-L299 PolarHBondContact O-N 3.26Å
300	T	53.9	Low	59	Low	72 Å²	72	107.6 Å²	107.6	44%	0.442	54%	0.543	S	S	.	.			trans	-109.4	40.8	-174.1	60.8	0	0	0	0	112.8	R297 N302 A303	R297-T300 PolarHBondContact O-N 2.92Å; R297-T300 VanDerWaalsContact O-N 3.16Å; R297-T300 PolarHBondContact O-OG1 3.41Å; R297-T300 VanDerWaalsContact O-OG1 3.12Å; T300-N302 PolarHBondContact O-N 2.75Å; T300-A303 PolarHBondContact O-N 3.25Å
301	R	51.3	Low	61.8	Low	227 Å²	227	104.6 Å²	104.6	86%	0.857	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-16.8	-170.3	-156.2	174.7	121.7	147.2	1.7	115.3
302	N	49.3	Very low	64.3	Low	158 Å²	158	100.8 Å²	100.8	85%	0.845	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.4	12.2	-172.2	-65.5	-10.4	0	0	0	114.8	T300	T300-N302 PolarHBondContact O-N 2.75Å
303	A	57.4	Low	66.9	Low	73 Å²	73	100.8 Å²	100.8	60%	0.603	51%	0.514	S	S	*	.	S	Bend	trans	-88.2	134.4	172.9	0	0	0	0	0	109.8	T300 A305	T300-A303 PolarHBondContact O-N 3.25Å; A303-A305 PolarHBondContact O-N 3.36Å
304	D	60.1	Low	69.6	Low	153 Å²	153	96.3 Å²	96.3	82%	0.818	49%	0.486	S	S	*	.			trans	-50.9	130.5	166.1	-78.2	-33.6	0	0	0	108.5	E306	D304-E306 PolarHBondContact O-N 2.92Å
305	A	68.6	Low	72	Confident	56 Å²	56	90.5 Å²	90.5	46%	0.463	46%	0.459	S	S	.	.			trans	-74.2	82	-177.5	0	0	0	0	0	109.3	A303 T307 V308	A303-A305 PolarHBondContact O-N 3.36Å; A305-T307 PolarHBondContact O-N 3.26Å; A305-V308 HydrophobicContact CB-CB 4.29Å; A305-V308 HydrophobicContact CB-CG2 3.61Å; A305-V308 WeakPolarHBondContact O-CB 3.44Å; A305-V308 PolarHBondContact O-N 3.33Å
306	E	80.8	Confident	74.4	Confident	63 Å²	63	89.9 Å²	89.9	29%	0.294	46%	0.463	S	S	.	.	H	α-helix	trans	-51.5	-30.6	177.7	-57.3	-173.2	136.1	0	0	112	S226 D304 V308 T309 A310	S226-E306 WeakPolarHBondContact OG-CG 3.38Å; S226-E306 PolarHBondContact OG-OE1 3.49Å; D304-E306 PolarHBondContact O-N 2.92Å; E306-V308 VanDerWaalsContact C-N 3.3Å; E306-V308 PolarHBondContact O-N 3.16Å; E306-T309 PolarHBondContact O-N 3.34Å; E306-A310 WeakPolarHBondContact O-CB 3.42Å; E306-A310 PolarHBondContact O-N 2.62Å
307	T	85.7	Confident	76.7	Confident	46 Å²	46	88.6 Å²	88.6	28%	0.282	45%	0.448	S	S	.	.	H	α-helix	trans	-62	-32.2	175	53.7	0	0	0	0	113.2	I272 A305 M311	I272-T307 HydrophobicContact CD1-CG2 4.32Å; A305-T307 PolarHBondContact O-N 3.26Å; T307-M311 VanDerWaalsContact O-CB 3.28Å; T307-M311 WeakPolarHBondContact O-CB 3.27Å; T307-M311 PolarHBondContact O-N 3.4Å
308	V	89.1	Confident	79	Confident	96 Å²	96	79.6 Å²	79.6	58%	0.582	41%	0.414	S	S	*	.	H	α-helix	trans	-69.6	-46.3	176.6	177.3	0	0	0	0	110.2	A305 E306 M311 A312	A305-V308 HydrophobicContact CB-CB 4.29Å; A305-V308 HydrophobicContact CB-CG2 3.61Å; A305-V308 WeakPolarHBondContact O-CB 3.44Å; A305-V308 PolarHBondContact O-N 3.33Å; E306-V308 VanDerWaalsContact C-N 3.3Å; E306-V308 PolarHBondContact O-N 3.16Å; V308-M311 PolarHBondContact O-N 3.36Å; V308-A312 WeakPolarHBondContact O-CB 3.48Å; V308-A312 PolarHBondContact O-N 2.84Å
309	T	91	Very high	80.9	Confident	67 Å²	67	71.8 Å²	71.8	41%	0.411	39%	0.388	S	S	.	.	H	α-helix	trans	-64.8	-41.2	175.9	-52.9	0	0	0	0	111.5	E306 M311 A312 R313	E306-T309 PolarHBondContact O-N 3.34Å; T309-M311 VanDerWaalsContact C-N 3.35Å; T309-M311 PolarHBondContact O-N 2.83Å; T309-A312 PolarHBondContact O-N 3.26Å; T309-R313 WeakPolarHBondContact O-CG 3.36Å; T309-R313 PolarHBondContact O-N 3.1Å
310	A	93.4	Very high	82.9	Confident	2 Å²	2	68.9 Å²	68.9	2%	0.017	38%	0.378	C	S	.	.	H	α-helix	trans	-58	-47	174	0	0	0	0	0	111.7	F223 I272 E306 A312 R313 F314	F223-A310 VanDerWaalsContact O-CB 3.3Å; F223-A310 WeakPolarHBondContact O-CB 3.42Å; I272-A310 HydrophobicContact CB-CB 3.94Å; I272-A310 HydrophobicContact CG2-CB 3.79Å; E306-A310 WeakPolarHBondContact O-CB 3.42Å; E306-A310 PolarHBondContact O-N 2.62Å; A310-A312 PolarHBondContact O-N 3.44Å; A310-R313 PolarHBondContact O-N 3.45Å; A310-F314 PolarHBondContact O-N 2.9Å
311	M	94.7	Very high	84.8	Confident	17 Å²	17	65.5 Å²	65.5	8%	0.084	36%	0.357	C	S	.	.	H	α-helix	trans	-64.7	-40.6	179	-165.2	68.9	-144.8	0	0	111.9	I272 T307 V308 T309 R313 F314 D315 P348 I358 A362 L363	I272-M311 HydrophobicContact CG2-CB 4.5Å; I272-M311 HydrophobicContact CG2-SD 4.17Å; T307-M311 VanDerWaalsContact O-CB 3.28Å; T307-M311 WeakPolarHBondContact O-CB 3.27Å; T307-M311 PolarHBondContact O-N 3.4Å; V308-M311 PolarHBondContact O-N 3.36Å; T309-M311 VanDerWaalsContact C-N 3.35Å; T309-M311 PolarHBondContact O-N 2.83Å; M311-R313 VanDerWaalsContact C-N 3.34Å; M311-R313 PolarHBondContact O-N 3.36Å; M311-F314 HydrophobicContact CE-CD1 3.52Å; M311-F314 HydrophobicContact CE-CE1 4.02Å; M311-F314 PolarHBondContact O-N 3.41Å; M311-F314 HydrophobicContact SD-CD1 4.12Å; M311-D315 WeakPolarHBondContact O-CB 3.43Å; M311-D315 PolarHBondContact O-N 3.48Å; M311-P348 HydrophobicContact SD-CG 4.05Å; M311-I358 HydrophobicContact CE-CG2 4.4Å; M311-A362 HydrophobicContact CE-CB 4.13Å; M311-A362 WeakPolarHBondContact CE-O 3.43Å; M311-A362 HydrophobicContact CG-CB 4.31Å; M311-A362 WeakPolarHBondContact CG-O 3.26Å; M311-L363 HydrophobicContact CE-CD1 4.45Å; M311-L363 HydrophobicContact CE-CD2 3.2Å; M311-L363 HydrophobicContact CE-CG 3.66Å
312	A	95	Very high	86.6	Confident	57 Å²	57	55.9 Å²	55.9	47%	0.471	32%	0.324	S	S	.	.	H	α-helix	trans	-62.5	-39.3	176.2	0	0	0	0	0	112.4	V308 T309 A310 Q316	V308-A312 WeakPolarHBondContact O-CB 3.48Å; V308-A312 PolarHBondContact O-N 2.84Å; T309-A312 PolarHBondContact O-N 3.26Å; A310-A312 PolarHBondContact O-N 3.44Å; A312-Q316 WeakPolarHBondContact O-CB 3.32Å; A312-Q316 PolarHBondContact O-N 2.94Å
313	R	95.5	Very high	88.5	Confident	121 Å²	121	48.9 Å²	48.9	46%	0.457	29%	0.287	S	S	.	.	H	α-helix	trans	-67.4	-41.7	174.8	-71.2	178.6	-179.5	163.4	5	112.1	F223 A224 G225 T309 A310 M311 Q316 W317	F223-R313 HydrophobicContact CD1-CB 3.8Å; F223-R313 HydrophobicContact CE1-CB 4.4Å; A224-R313 PolarHBondContact O-NH1 3.44Å; G225-R313 VanDerWaalsContact O-CZ 3.23Å; G225-R313 PolarHBondContact O-NH1 2.68Å; G225-R313 PolarHBondContact O-NH2 3.01Å; G225-R313 VanDerWaalsContact O-NH2 3.11Å; T309-R313 WeakPolarHBondContact O-CG 3.36Å; T309-R313 PolarHBondContact O-N 3.1Å; A310-R313 PolarHBondContact O-N 3.45Å; M311-R313 VanDerWaalsContact C-N 3.34Å; M311-R313 PolarHBondContact O-N 3.36Å; R313-Q316 PolarHBondContact O-N 2.86Å; R313-W317 WeakPolarHBondContact O-CB 3.5Å; R313-W317 PolarHBondContact O-N 2.79Å
314	F	97.4	Very high	89.7	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.8	-43.7	175.6	176	-131.4	0	0	0	111.8	L221 F223 I267 S271 I272 A310 M311 W317 L318 L341 L363	L221-F314 HydrophobicContact CD1-CD2 4.32Å; L221-F314 HydrophobicContact CD1-CE2 3.7Å; F223-F314 HydrophobicContact CB-CB 4.1Å; F223-F314 HydrophobicContact CD1-CB 4.27Å; F223-F314 HydrophobicContact CD2-CB 3.76Å; F223-F314 AromaticContact CD2-CD2 3.61Å; F223-F314 HydrophobicContact CD2-CD2 3.61Å; F223-F314 HydrophobicContact CD2-CG 4.01Å; F223-F314 HydrophobicContact CE2-CB 4.29Å; F223-F314 AromaticContact CE2-CD2 3.53Å; F223-F314 HydrophobicContact CE2-CD2 3.53Å; F223-F314 HydrophobicContact CE2-CE2 4.35Å; F223-F314 HydrophobicContact CE2-CG 4.33Å; F223-F314 HydrophobicContact CG-CB 3.77Å; F223-F314 HydrophobicContact CG-CD2 4.46Å; F223-F314 HydrophobicContact CZ-CD2 4.31Å; I267-F314 HydrophobicContact CD1-CE2 4.42Å; I267-F314 HydrophobicContact CD1-CZ 4.45Å; S271-F314 WeakPolarHBondContact OG-CZ 3.33Å; I272-F314 HydrophobicContact CG2-CB 4.48Å; A310-F314 PolarHBondContact O-N 2.9Å; M311-F314 HydrophobicContact CE-CD1 3.52Å; M311-F314 HydrophobicContact CE-CE1 4.02Å; M311-F314 PolarHBondContact O-N 3.41Å; M311-F314 HydrophobicContact SD-CD1 4.12Å; F314-W317 HydrophobicContact CD2-CE3 4.21Å; F314-W317 HydrophobicContact CE2-CE3 4.15Å; F314-W317 HydrophobicContact CE2-CZ3 4.28Å; F314-W317 PolarHBondContact O-N 3.24Å; F314-L318 HydrophobicContact CD1-CD1 4.25Å; F314-L318 HydrophobicContact CD2-CD1 4.23Å; F314-L318 HydrophobicContact CD2-CG 4.09Å; F314-L318 HydrophobicContact CE1-CD1 3.69Å; F314-L318 HydrophobicContact CE2-CD1 3.69Å; F314-L318 HydrophobicContact CE2-CD2 4.01Å; F314-L318 HydrophobicContact CE2-CG 3.62Å; F314-L318 HydrophobicContact CG-CD1 4.49Å; F314-L318 HydrophobicContact CZ-CD1 3.4Å; F314-L318 HydrophobicContact CZ-CD2 4.23Å; F314-L318 HydrophobicContact CZ-CG 3.87Å; F314-L318 PolarHBondContact O-N 2.79Å; F314-L341 HydrophobicContact CE1-CD1 4.25Å; F314-L341 HydrophobicContact CE1-CD2 3.88Å; F314-L341 HydrophobicContact CZ-CD1 3.88Å; F314-L341 HydrophobicContact CZ-CD2 4.1Å; F314-L363 HydrophobicContact CD1-CD2 4.21Å; F314-L363 HydrophobicContact CE1-CD2 4.25Å
315	D	97.8	Very high	90.3	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.027	27%	0.265	C	S	.	.	H	α-helix	trans	-60	-45.6	175.1	-175.7	35.9	0	0	0	111.9	M311 W317 L318 A319 L363 P364 C365 A366	M311-D315 WeakPolarHBondContact O-CB 3.43Å; M311-D315 PolarHBondContact O-N 3.48Å; D315-W317 VanDerWaalsContact C-N 3.35Å; D315-W317 PolarHBondContact O-N 2.76Å; D315-L318 PolarHBondContact O-N 3.06Å; D315-A319 WeakPolarHBondContact O-CB 3.46Å; D315-A319 PolarHBondContact O-N 3.26Å; D315-L363 HydrophobicContact CB-CD2 3.93Å; D315-L363 WeakPolarHBondContact OD1-CA 3.42Å; D315-P364 WeakPolarHBondContact OD2-CD 3.39Å; D315-P364 WeakPolarHBondContact OD2-CG 3.13Å; D315-C365 PolarHBondContact OD1-N 3.06Å; D315-C365 VanDerWaalsContact OD2-CB 3.25Å; D315-C365 WeakPolarHBondContact OD2-CB 3.43Å; D315-C365 PolarHBondContact OD2-N 3.28Å; D315-A366 WeakPolarHBondContact OD1-CB 3.22Å; D315-A366 PolarHBondContact OD1-N 3.16Å
316	Q	97.4	Very high	90.2	Very high	140 Å²	140	43.3 Å²	43.3	65%	0.654	26%	0.258	S	S	*	.	H	α-helix	trans	-63.1	-40.3	176.1	-173.9	177	-5.1	0	0	112.3	A312 R313 A319 S320	A312-Q316 WeakPolarHBondContact O-CB 3.32Å; A312-Q316 PolarHBondContact O-N 2.94Å; R313-Q316 PolarHBondContact O-N 2.86Å; Q316-A319 PolarHBondContact O-N 3.3Å; Q316-S320 PolarHBondContact O-N 3.2Å
317	W	97.7	Very high	89.3	Confident	17 Å²	17	43.8 Å²	43.8	6%	0.064	27%	0.268	C	S	.	.	H	α-helix	trans	-65	-46.6	176.2	178.5	89.9	0	0	0	111.6	L221 F223 L237 L240 A241 I267 R313 F314 D315 A319 S320 L321	L221-W317 HydrophobicContact CD1-CE3 4.29Å; L221-W317 HydrophobicContact CD1-CH2 3.93Å; L221-W317 HydrophobicContact CD1-CZ3 3.64Å; L221-W317 HydrophobicContact CD2-CH2 4.41Å; F223-W317 HydrophobicContact CE1-CB 3.76Å; F223-W317 HydrophobicContact CE1-CG 4.09Å; F223-W317 HydrophobicContact CE2-CB 4.45Å; F223-W317 HydrophobicContact CE2-CD2 4.22Å; F223-W317 HydrophobicContact CE2-CE3 4.26Å; F223-W317 HydrophobicContact CE2-CG 4.31Å; F223-W317 HydrophobicContact CZ-CB 3.46Å; F223-W317 VanDerWaalsContact CZ-CB 3.46Å; F223-W317 AromaticContact CZ-CD1 3.84Å; F223-W317 AromaticContact CZ-CD2 3.72Å; F223-W317 HydrophobicContact CZ-CD2 3.72Å; F223-W317 HydrophobicContact CZ-CE3 4.18Å; F223-W317 AromaticContact CZ-CG 3.39Å; F223-W317 HydrophobicContact CZ-CG 3.39Å; L237-W317 PolarHBondContact O-NE1 2.84Å; L240-W317 HydrophobicContact CD2-CH2 4.14Å; L240-W317 HydrophobicContact CD2-CZ2 3.78Å; L240-W317 HydrophobicContact CG-CZ2 4.06Å; A241-W317 HydrophobicContact CB-CZ2 4.41Å; I267-W317 HydrophobicContact CD1-CZ3 4.11Å; R313-W317 WeakPolarHBondContact O-CB 3.5Å; R313-W317 PolarHBondContact O-N 2.79Å; F314-W317 HydrophobicContact CD2-CE3 4.21Å; F314-W317 HydrophobicContact CE2-CE3 4.15Å; F314-W317 HydrophobicContact CE2-CZ3 4.28Å; F314-W317 PolarHBondContact O-N 3.24Å; D315-W317 VanDerWaalsContact C-N 3.35Å; D315-W317 PolarHBondContact O-N 2.76Å; W317-A319 VanDerWaalsContact C-N 3.29Å; W317-A319 PolarHBondContact O-N 2.76Å; W317-S320 WeakPolarHBondContact O-CB 3.44Å; W317-S320 PolarHBondContact O-N 2.63Å; W317-S320 PolarHBondContact O-OG 2.88Å; W317-L321 HydrophobicContact CE3-CD1 4.29Å; W317-L321 HydrophobicContact CH2-CD1 3.86Å; W317-L321 HydrophobicContact CH2-CD2 4.46Å; W317-L321 HydrophobicContact CZ2-CD1 4.46Å; W317-L321 HydrophobicContact CZ2-CD2 4.28Å; W317-L321 HydrophobicContact CZ3-CD1 3.77Å
318	L	96.7	Very high	87.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-57.9	-43.2	174.5	-79.3	175.4	0	0	0	111.5	I267 F314 D315 S320 L321 I323 I339 L363 A366	I267-L318 HydrophobicContact CD1-CD2 3.6Å; F314-L318 HydrophobicContact CD1-CD1 4.25Å; F314-L318 HydrophobicContact CD2-CD1 4.23Å; F314-L318 HydrophobicContact CD2-CG 4.09Å; F314-L318 HydrophobicContact CE1-CD1 3.69Å; F314-L318 HydrophobicContact CE2-CD1 3.69Å; F314-L318 HydrophobicContact CE2-CD2 4.01Å; F314-L318 HydrophobicContact CE2-CG 3.62Å; F314-L318 HydrophobicContact CG-CD1 4.49Å; F314-L318 HydrophobicContact CZ-CD1 3.4Å; F314-L318 HydrophobicContact CZ-CD2 4.23Å; F314-L318 HydrophobicContact CZ-CG 3.87Å; F314-L318 PolarHBondContact O-N 2.79Å; D315-L318 PolarHBondContact O-N 3.06Å; L318-S320 PolarHBondContact O-N 3.12Å; L318-S320 VanDerWaalsContact O-N 3.16Å; L318-L321 HydrophobicContact CD2-CD1 4.12Å; L318-L321 WeakPolarHBondContact O-CB 3.03Å; L318-L321 PolarHBondContact O-N 2.86Å; L318-L321 VanDerWaalsContact O-N 3.08Å; L318-I323 VanDerWaalsContact O-CD1 3.23Å; L318-I323 WeakPolarHBondContact O-CD1 3.39Å; L318-I339 HydrophobicContact CD2-CD1 4.33Å; L318-L363 HydrophobicContact CD1-CD1 4.33Å; L318-L363 HydrophobicContact CD1-CD2 3.67Å; L318-A366 HydrophobicContact CB-CB 3.57Å; L318-A366 HydrophobicContact CD1-CB 4.37Å
319	A	95.1	Very high	86.3	Confident	23 Å²	23	48.8 Å²	48.8	19%	0.19	28%	0.282	C	S	.	.	H	α-helix	trans	-63.1	-18.7	177.7	0	0	0	0	0	113.8	D315 Q316 W317 C365 A366 R369	D315-A319 WeakPolarHBondContact O-CB 3.46Å; D315-A319 PolarHBondContact O-N 3.26Å; Q316-A319 PolarHBondContact O-N 3.3Å; W317-A319 VanDerWaalsContact C-N 3.29Å; W317-A319 PolarHBondContact O-N 2.76Å; A319-C365 HydrophobicContact CB-CB 3.98Å; A319-A366 HydrophobicContact CB-CB 4.34Å; A319-R369 HydrophobicContact CB-CB 4.39Å; A319-R369 WeakPolarHBondContact O-CG 3.15Å
320	S	94	Very high	84.7	Confident	54 Å²	54	53.5 Å²	53.5	38%	0.378	31%	0.305	S	S	.	.	H	α-helix	trans	-80.6	-17.2	175.8	80.8	0	0	0	0	113.9	R245 Q316 W317 L318	R245-S320 WeakPolarHBondContact CD-O 3.46Å; Q316-S320 PolarHBondContact O-N 3.2Å; W317-S320 WeakPolarHBondContact O-CB 3.44Å; W317-S320 PolarHBondContact O-N 2.63Å; W317-S320 PolarHBondContact O-OG 2.88Å; L318-S320 PolarHBondContact O-N 3.12Å; L318-S320 VanDerWaalsContact O-N 3.16Å
321	L	93.5	Very high	82.9	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	34%	0.342	C	S	.	.	S	Bend	trans	-74.5	156.4	-178.5	-59	-177.4	0	0	0	111.6	A241 I244 L265 W317 L318 I323 I339	A241-L321 HydrophobicContact CB-CD2 3.82Å; I244-L321 HydrophobicContact CB-CD2 4.33Å; I244-L321 HydrophobicContact CD1-CD2 4.3Å; I244-L321 HydrophobicContact CG2-CD2 4.2Å; L265-L321 HydrophobicContact CD2-CD1 4.13Å; W317-L321 HydrophobicContact CE3-CD1 4.29Å; W317-L321 HydrophobicContact CH2-CD1 3.86Å; W317-L321 HydrophobicContact CH2-CD2 4.46Å; W317-L321 HydrophobicContact CZ2-CD1 4.46Å; W317-L321 HydrophobicContact CZ2-CD2 4.28Å; W317-L321 HydrophobicContact CZ3-CD1 3.77Å; L318-L321 HydrophobicContact CD2-CD1 4.12Å; L318-L321 WeakPolarHBondContact O-CB 3.03Å; L318-L321 PolarHBondContact O-N 2.86Å; L318-L321 VanDerWaalsContact O-N 3.08Å; L321-I323 HydrophobicContact CB-CD1 4.46Å; L321-I323 HydrophobicContact CB-CG1 4.02Å; L321-I323 PolarHBondContact O-N 3.39Å; L321-I339 HydrophobicContact CB-CD1 4.33Å; L321-I339 HydrophobicContact CD1-CD1 3.6Å
322	P	89.5	Confident	81	Confident	25 Å²	25	60 Å²	60	16%	0.162	36%	0.36	C	S	.	.			trans	-77.7	59.1	178.9	36.2	-37.7	0	0	0	111.5	I244 G336 I337	I244-P322 HydrophobicContact CG2-CG 4.23Å; P322-G336 CarbonylContact O-C 3.47Å; P322-G336 WeakPolarHBondContact O-CA 3.48Å; P322-I337 HydrophobicContact CG-CG1 4.35Å; P322-I337 PolarHBondContact O-N 2.82Å
323	I	88.4	Confident	79.3	Confident	11 Å²	11	60.3 Å²	60.3	6%	0.056	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-72.3	128.3	-177.8	-56.1	172.3	0	0	0	110.3	L318 L321 I337 I339 N377 L378	L318-I323 VanDerWaalsContact O-CD1 3.23Å; L318-I323 WeakPolarHBondContact O-CD1 3.39Å; L321-I323 HydrophobicContact CB-CD1 4.46Å; L321-I323 HydrophobicContact CB-CG1 4.02Å; L321-I323 PolarHBondContact O-N 3.39Å; I323-I337 WeakPolarHBondContact CA-O 3.37Å; I323-I339 HydrophobicContact CD1-CD1 3.82Å; I323-I339 HydrophobicContact CG1-CD1 3.59Å; I323-I339 HydrophobicContact CG1-CG1 4.24Å; I323-N377 HydrophobicContact CG2-CB 3.62Å; I323-L378 HydrophobicContact CG2-CB 4.29Å
324	G	83.2	Confident	77.7	Confident	11 Å²	11	59.2 Å²	59.2	11%	0.113	35%	0.353	C	S	.	.	S	Bend	trans	126	-160.9	171.9	0	0	0	0	0	115.2	G326 G336 I337	G324-G326 PolarHBondContact O-N 2.89Å; G324-G336 CarbonylContact O-C 3.59Å; G324-G336 WeakPolarHBondContact O-CA 3.35Å; G324-I337 PolarHBondContact N-O 2.73Å; G324-I337 PolarHBondContact O-N 3.03Å
325	S	72.1	Confident	76.5	Confident	122 Å²	122	62.4 Å²	62.4	85%	0.853	37%	0.37	S	S	*	.	S	Bend	trans	-72.2	-4.4	-178.5	55.8	0	0	0	0	114.6
326	G	67.1	Low	75.7	Confident	31 Å²	31	63 Å²	63	32%	0.32	38%	0.378	S	S	.	.			trans	84.6	172.4	-168.4	0	0	0	0	0	113.4	G324 F334	G324-G326 PolarHBondContact O-N 2.89Å; G326-F334 CarbonylContact C-O 3.53Å; G326-F334 WeakPolarHBondContact CA-O 3.47Å
327	C	61.9	Low	75.3	Confident	73 Å²	73	56.5 Å²	56.5	49%	0.493	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	160.6	176.3	63.2	0	0	0	0	110.9	F334	C327-F334 PolarHBondContact N-O 3.23Å; C327-F334 PolarHBondContact O-N 2.79Å
328	K	56.3	Low	75	Confident	158 Å²	158	57.2 Å²	57.2	69%	0.687	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.3	165.7	-57.1	-164.5	175.4	-107.8	0	107.6	T332 D333	K328-T332 WeakPolarHBondContact CA-O 2.99Å; K328-D333 VanDerWaalsContact CD-OD1 3.29Å; K328-D333 WeakPolarHBondContact CD-OD1 3.34Å; K328-D333 VanDerWaalsContact CE-OD1 3.3Å; K328-D333 WeakPolarHBondContact CE-OD1 3.41Å; K328-D333 WeakPolarHBondContact CG-OD1 3.28Å; K328-D333 VanDerWaalsContact NZ-CG 3.26Å; K328-D333 IonicContact NZ-OD1 2.73Å; K328-D333 PolarHBondContact NZ-OD1 3.43Å; K328-D333 IonicContact NZ-OD2 3.58Å; K328-D333 PolarHBondContact NZ-OD2 3.33Å
329	D	55	Low	75	Confident	90 Å²	90	57.3 Å²	57.3	48%	0.481	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125.9	173.8	-169.6	15.8	0	0	0	109.8	G331 T332 F334	D329-G331 PolarHBondContact O-N 3.44Å; D329-T332 PolarHBondContact N-O 3.19Å; D329-T332 PolarHBondContact O-N 2.73Å; D329-T332 PolarHBondContact O-OG1 3.01Å; D329-F334 HydrophobicContact CB-CD2 4.21Å; D329-F334 HydrophobicContact CB-CE2 3.98Å
330	N	57.4	Low	75	Confident	166 Å²	166	56.3 Å²	56.3	89%	0.888	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.3	38.2	-176.5	-75.1	-20.7	0	0	0	115.9	T332	N330-T332 VanDerWaalsContact C-N 3.33Å
331	G	54.9	Low	75.2	Confident	77 Å²	77	53.7 Å²	53.7	79%	0.794	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	-2.9	179.4	0	0	0	0	0	115.3	D329	D329-G331 PolarHBondContact O-N 3.44Å
332	T	54.7	Low	75.4	Confident	77 Å²	77	53.7 Å²	53.7	47%	0.472	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	127.8	171.1	59.4	0	0	0	0	110.6	K328 D329 N330 F334	K328-T332 WeakPolarHBondContact CA-O 2.99Å; D329-T332 PolarHBondContact N-O 3.19Å; D329-T332 PolarHBondContact O-N 2.73Å; D329-T332 PolarHBondContact O-OG1 3.01Å; N330-T332 VanDerWaalsContact C-N 3.33Å; T332-F334 WeakPolarHBondContact OG1-CE2 3.28Å
333	D	59.9	Low	75.8	Confident	64 Å²	64	52.5 Å²	52.5	34%	0.342	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	119.8	174.8	-74.2	-4.8	0	0	0	108.5	R209 K328	R209-D333 PolarHBondContact NH2-O 2.85Å; K328-D333 VanDerWaalsContact CD-OD1 3.29Å; K328-D333 WeakPolarHBondContact CD-OD1 3.34Å; K328-D333 VanDerWaalsContact CE-OD1 3.3Å; K328-D333 WeakPolarHBondContact CE-OD1 3.41Å; K328-D333 WeakPolarHBondContact CG-OD1 3.28Å; K328-D333 VanDerWaalsContact NZ-CG 3.26Å; K328-D333 IonicContact NZ-OD1 2.73Å; K328-D333 PolarHBondContact NZ-OD1 3.43Å; K328-D333 IonicContact NZ-OD2 3.58Å; K328-D333 PolarHBondContact NZ-OD2 3.33Å
334	F	62.3	Low	76.1	Confident	98 Å²	98	52 Å²	52	43%	0.43	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	116.1	168.9	-75.2	-85.5	0	0	0	108.7	G326 C327 D329 T332 G336	G326-F334 CarbonylContact C-O 3.53Å; G326-F334 WeakPolarHBondContact CA-O 3.47Å; C327-F334 PolarHBondContact N-O 3.23Å; C327-F334 PolarHBondContact O-N 2.79Å; D329-F334 HydrophobicContact CB-CD2 4.21Å; D329-F334 HydrophobicContact CB-CE2 3.98Å; T332-F334 WeakPolarHBondContact OG1-CE2 3.28Å; F334-G336 PolarHBondContact O-N 2.88Å
335	N	71.3	Confident	76.5	Confident	67 Å²	67	53.6 Å²	53.6	36%	0.358	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-76	122.1	173.3	-70.9	-11.4	0	0	0	108.8
336	G	82.5	Confident	77.4	Confident	18 Å²	18	48.7 Å²	48.7	19%	0.186	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-82.9	162.4	170.9	0	0	0	0	0	111.5	P322 G324 F334	P322-G336 CarbonylContact O-C 3.47Å; P322-G336 WeakPolarHBondContact O-CA 3.48Å; G324-G336 CarbonylContact O-C 3.59Å; G324-G336 WeakPolarHBondContact O-CA 3.35Å; F334-G336 PolarHBondContact O-N 2.88Å
337	I	89	Confident	78.7	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-118.1	156.6	179.1	65.7	171.8	0	0	0	111.1	I244 L262 L265 P322 I323 G324 I339	I244-I337 HydrophobicContact CG2-CD1 3.54Å; L262-I337 HydrophobicContact CD2-CD1 4.49Å; L262-I337 HydrophobicContact CD2-CG2 4.43Å; L262-I337 HydrophobicContact CG-CG2 4.28Å; L262-I337 WeakPolarHBondContact O-CG2 3.29Å; L265-I337 HydrophobicContact CB-CD1 4.09Å; P322-I337 HydrophobicContact CG-CG1 4.35Å; P322-I337 PolarHBondContact O-N 2.82Å; I323-I337 WeakPolarHBondContact CA-O 3.37Å; G324-I337 PolarHBondContact N-O 2.73Å; G324-I337 PolarHBondContact O-N 3.03Å; I337-I339 HydrophobicContact CD1-CD1 4.23Å; I337-I339 HydrophobicContact CD1-CG1 4.15Å; I337-I339 HydrophobicContact CG1-CG1 4.24Å
338	S	91.3	Very high	80.1	Confident	32 Å²	32	46.9 Å²	46.9	22%	0.224	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	146.4	166	44	0	0	0	0	110.1	I263 H264 L265 N377	I263-S338 PolarHBondContact O-N 3.45Å; I263-S338 PolarHBondContact O-OG 3.24Å; H264-S338 CarbonylContact C-O 3.47Å; H264-S338 VanDerWaalsContact CA-O 3.31Å; H264-S338 WeakPolarHBondContact CA-O 3.44Å; H264-S338 PolarHBondContact ND1-O 3.45Å; H264-S338 PolarHBondContact ND1-OG 2.67Å; L265-S338 PolarHBondContact N-O 2.63Å; S338-N377 CarbonylContact C-O 3.5Å; S338-N377 WeakPolarHBondContact CA-O 3.12Å
339	I	95.1	Very high	81.7	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	124.4	-177.1	-52.5	-171.6	0	0	0	109.6	L265 I267 L318 L321 I323 I337 N377 L378 C379	L265-I339 HydrophobicContact CB-CG1 4.21Å; L265-I339 HydrophobicContact CD2-CD1 4.15Å; L265-I339 HydrophobicContact CD2-CG1 4.46Å; L265-I339 VanDerWaalsContact O-CA 3.32Å; L265-I339 WeakPolarHBondContact O-CA 3.23Å; I267-I339 HydrophobicContact CD1-CG2 3.92Å; I267-I339 HydrophobicContact CG1-CG2 4.29Å; L318-I339 HydrophobicContact CD2-CD1 4.33Å; L321-I339 HydrophobicContact CB-CD1 4.33Å; L321-I339 HydrophobicContact CD1-CD1 3.6Å; I323-I339 HydrophobicContact CD1-CD1 3.82Å; I323-I339 HydrophobicContact CG1-CD1 3.59Å; I323-I339 HydrophobicContact CG1-CG1 4.24Å; I337-I339 HydrophobicContact CD1-CD1 4.23Å; I337-I339 HydrophobicContact CD1-CG1 4.15Å; I337-I339 HydrophobicContact CG1-CG1 4.24Å; I339-N377 PolarHBondContact N-O 2.85Å; I339-L378 HydrophobicContact CB-CD1 3.84Å; I339-L378 HydrophobicContact CG2-CD1 3.84Å; I339-L378 WeakPolarHBondContact O-CA 3.26Å; I339-C379 PolarHBondContact O-N 2.94Å
340	D	96.4	Very high	83.3	Confident	2 Å²	2	39 Å²	39	1%	0.011	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.4	168.1	-76.8	-38.6	0	0	0	110.1	H264 L265 L266 I267 C379 R381 Y385	H264-D340 IonicContact CE1-OD2 3.66Å; H264-D340 PolarHBondContact CE1-OD2 3.33Å; H264-D340 IonicContact NE2-OD2 3.03Å; H264-D340 PolarHBondContact NE2-OD2 3.43Å; L265-D340 PolarHBondContact O-N 2.81Å; L266-D340 HydrophobicContact CD2-CB 3.81Å; I267-D340 PolarHBondContact N-O 3.03Å; D340-C379 WeakPolarHBondContact CA-O 3.32Å; D340-C379 WeakPolarHBondContact OD1-CB 3.35Å; D340-R381 HydrophobicContact CB-CG 3.86Å; D340-R381 IonicContact OD1-CZ 3.69Å; D340-R381 VanDerWaalsContact OD1-CZ 3.31Å; D340-R381 IonicContact OD1-NE 3.62Å; D340-R381 PolarHBondContact OD1-NE 2.9Å; D340-R381 IonicContact OD1-NH2 2.97Å; D340-R381 PolarHBondContact OD1-NH2 3.22Å; D340-R381 IonicContact OD2-NE 3.27Å; D340-R381 IonicContact OD2-NH2 3.96Å; D340-Y385 HydrophobicContact CB-CE1 4.13Å; D340-Y385 WeakPolarHBondContact OD2-CE1 3.49Å
341	L	97.3	Very high	84.8	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	115.8	-174.5	174.9	62.4	0	0	0	110.3	I267 S271 F314 I358 L363 C379 R381	I267-L341 HydrophobicContact CB-CD1 3.74Å; I267-L341 HydrophobicContact CG2-CD1 3.59Å; S271-L341 WeakPolarHBondContact OG-CD1 3.25Å; F314-L341 HydrophobicContact CE1-CD1 4.25Å; F314-L341 HydrophobicContact CE1-CD2 3.88Å; F314-L341 HydrophobicContact CZ-CD1 3.88Å; F314-L341 HydrophobicContact CZ-CD2 4.1Å; L341-I358 HydrophobicContact CD1-CD1 4.46Å; L341-I358 HydrophobicContact CD2-CD1 3.78Å; L341-I358 HydrophobicContact CG-CD1 4.04Å; L341-L363 HydrophobicContact CD2-CD1 3.75Å; L341-C379 PolarHBondContact N-O 3.11Å; L341-R381 PolarHBondContact O-N 3.2Å
342	L	98.1	Very high	86.7	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	140.7	174.4	-77.9	72.3	0	0	0	110.2	I267 L268 G269 R381 T382 N383 Y385 A396	I267-L342 PolarHBondContact O-N 3.41Å; L268-L342 HydrophobicContact CD2-CD1 4Å; L268-L342 HydrophobicContact CD2-CD2 4.05Å; L268-L342 HydrophobicContact CD2-CG 4.41Å; G269-L342 WeakPolarHBondContact CA-O 3.48Å; G269-L342 PolarHBondContact N-O 2.83Å; L342-R381 HydrophobicContact CD1-CB 4.15Å; L342-R381 HydrophobicContact CG-CB 4.41Å; L342-T382 WeakPolarHBondContact CG-O 3.18Å; L342-N383 HydrophobicContact CB-CB 4.49Å; L342-N383 HydrophobicContact CD2-CB 4.35Å; L342-Y385 HydrophobicContact CD1-CD1 4.15Å; L342-A396 HydrophobicContact CD1-CB 4.4Å; L342-A396 HydrophobicContact CD2-CB 3.88Å; L342-A396 WeakPolarHBondContact CD2-O 3.48Å
343	P	97.2	Very high	88.6	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.174	C	C	.	.			trans	-76.1	147.5	173.7	31.3	-36.5	0	0	0	112.1	T349 Q355 I358 R381 N383 S398	P343-T349 HydrophobicContact CB-CG2 3.88Å; P343-T349 WeakPolarHBondContact CB-OG1 3.47Å; P343-Q355 HydrophobicContact CG-CB 3.77Å; P343-Q355 PolarHBondContact O-OE1 3.1Å; P343-Q355 VanDerWaalsContact O-OE1 3.05Å; P343-I358 HydrophobicContact CB-CG1 4.19Å; P343-R381 WeakPolarHBondContact CD-O 3.37Å; P343-N383 HydrophobicContact CG-CB 4.07Å; P343-N383 PolarHBondContact O-ND2 3.05Å; P343-S398 VanDerWaalsContact O-CB 3.32Å; P343-S398 WeakPolarHBondContact O-CB 3.36Å; P343-S398 PolarHBondContact O-OG 2.96Å
344	G	95.2	Very high	90.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.158	C	C	.	.			trans	-110.9	-174.4	166.6	0	0	0	0	0	112.1	S346 D347 Q355	G344-S346 VanDerWaalsContact C-N 3.28Å; G344-S346 PolarHBondContact O-N 2.65Å; G344-D347 PolarHBondContact N-OD2 2.71Å; G344-Q355 PolarHBondContact O-NE2 3.31Å; G344-Q355 VanDerWaalsContact O-NE2 3.09Å
345	P	91.4	Very high	91.8	Very high	45 Å²	45	21.7 Å²	21.7	29%	0.292	14%	0.137	S	C	.	.	S	Bend	trans	-69.7	-21.2	176.2	30	-37.4	0	0	0	114.2	D270	D270-P345 WeakPolarHBondContact OD1-CD 3.37Å; D270-P345 WeakPolarHBondContact OD1-CG 3.41Å
346	S	91.1	Very high	93	Very high	19 Å²	19	20.5 Å²	20.5	13%	0.133	13%	0.13	C	C	.	.	S	Bend	trans	-88.3	-15.4	-179.6	-48.3	0	0	0	0	113.3	D270 I272 G344	D270-S346 WeakPolarHBondContact OD1-CB 3.31Å; D270-S346 PolarHBondContact OD1-N 3.45Å; D270-S346 PolarHBondContact OD1-OG 3.06Å; I272-S346 WeakPolarHBondContact CD1-O 3.35Å; I272-S346 WeakPolarHBondContact CG1-O 3.43Å; I272-S346 WeakPolarHBondContact O-CB 3.25Å; G344-S346 VanDerWaalsContact C-N 3.28Å; G344-S346 PolarHBondContact O-N 2.65Å
347	D	93.8	Very high	93.6	Very high	3 Å²	3	22 Å²	22	2%	0.016	14%	0.136	C	C	.	.	S	Bend	trans	-79.1	162	-174.3	-67.4	-38.8	0	0	0	112.3	D270 S271 I272 G344 T349 I358	D270-D347 PolarHBondContact N-OD2 2.7Å; S271-D347 WeakPolarHBondContact CB-OD1 3.4Å; S271-D347 PolarHBondContact N-OD1 2.96Å; S271-D347 PolarHBondContact N-OD2 3.13Å; I272-D347 PolarHBondContact N-OD1 3.47Å; G344-D347 PolarHBondContact N-OD2 2.71Å; D347-T349 PolarHBondContact O-N 2.89Å; D347-I358 HydrophobicContact CB-CD1 4Å; D347-I358 HydrophobicContact CB-CG1 4.38Å
348	P	91.5	Very high	93.9	Very high	63 Å²	63	22 Å²	22	41%	0.409	14%	0.136	S	C	.	.	S	Bend	trans	-76.9	55.6	-176.2	32.9	-37.4	0	0	0	113	M311 I358	M311-P348 HydrophobicContact SD-CG 4.05Å; P348-I358 HydrophobicContact CG-CG2 4.34Å
349	T	91.1	Very high	94.1	Very high	31 Å²	31	27 Å²	27	19%	0.19	16%	0.156	C	C	.	.	S	Bend	trans	-132.7	173.3	178.1	60	0	0	0	0	111.4	P343 D347 Q356 I358	P343-T349 HydrophobicContact CB-CG2 3.88Å; P343-T349 WeakPolarHBondContact CB-OG1 3.47Å; D347-T349 PolarHBondContact O-N 2.89Å; T349-Q356 WeakPolarHBondContact CG2-O 3.36Å; T349-I358 HydrophobicContact CG2-CB 4.3Å; T349-I358 HydrophobicContact CG2-CG1 3.68Å
350	S	88.9	Confident	94	Very high	51 Å²	51	29 Å²	29	36%	0.357	17%	0.17	S	C	.	.			trans	-64.2	147.6	166.5	-176.8	0	0	0	0	110.6	L352 Q355	S350-L352 VanDerWaalsContact C-N 3.33Å; S350-L352 WeakPolarHBondContact OG-CG 3.36Å; S350-L352 PolarHBondContact OG-N 3.42Å; S350-Q355 PolarHBondContact O-NE2 3.34Å
351	V	88.7	Confident	93.8	Very high	77 Å²	77	32.5 Å²	32.5	47%	0.467	20%	0.199	S	C	.	.			trans	-85.6	-5.9	172.9	-62.2	0	0	0	0	113
352	L	94	Very high	93.7	Very high	29 Å²	29	34 Å²	34	15%	0.152	21%	0.211	C	C	.	.	S	Bend	trans	-69.9	135.1	-179.2	-60.1	176.9	0	0	0	111.6	F26 S350 P354 Q355 G436 Y438	F26-L352 HydrophobicContact CE1-CD1 3.86Å; F26-L352 HydrophobicContact CZ-CD1 3.63Å; S350-L352 VanDerWaalsContact C-N 3.33Å; S350-L352 WeakPolarHBondContact OG-CG 3.36Å; S350-L352 PolarHBondContact OG-N 3.42Å; L352-P354 CarbonylContact O-C 3.52Å; L352-Q355 WeakPolarHBondContact O-CA 3.39Å; L352-Q355 WeakPolarHBondContact O-CG 3.48Å; L352-Q355 PolarHBondContact O-N 3.08Å; L352-Q355 VanDerWaalsContact O-N 3.14Å; L352-G436 CarbonylContact C-O 3.46Å; L352-G436 WeakPolarHBondContact CA-O 3.13Å; L352-Y438 HydrophobicContact CB-CD2 3.92Å; L352-Y438 HydrophobicContact CB-CE1 4.32Å; L352-Y438 HydrophobicContact CB-CE2 3.56Å; L352-Y438 HydrophobicContact CB-CG 4.42Å; L352-Y438 HydrophobicContact CD1-CD1 4.02Å; L352-Y438 HydrophobicContact CD1-CE1 3.82Å
353	M	94.2	Very high	93.6	Very high	11 Å²	11	34.3 Å²	34.3	5%	0.054	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-89.1	137.1	177.2	-67.3	-63.5	-72.8	0	0	112.1	Q355 P384 G436 G437 Y438 L446	M353-Q355 HydrophobicContact SD-CG 3.87Å; M353-P384 HydrophobicContact CE-CG 4.31Å; M353-G436 PolarHBondContact N-O 2.79Å; M353-G437 WeakPolarHBondContact O-CA 3.27Å; M353-Y438 WeakPolarHBondContact O-CD2 3.44Å; M353-Y438 PolarHBondContact O-N 2.88Å; M353-L446 HydrophobicContact CB-CD1 4.24Å
354	P	95.3	Very high	93.5	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	24%	0.238	C	C	.	.	S	Bend	cis	-68.4	132.5	-8.4	-16.2	30.3	0	0	0	112.2	F17 L352 Q356 N383 Y438 P445 L446	F17-P354 HydrophobicContact CB-CB 3.81Å; F17-P354 HydrophobicContact CB-CG 4.2Å; F17-P354 HydrophobicContact CD1-CB 4.12Å; F17-P354 HydrophobicContact CD1-CG 3.9Å; F17-P354 HydrophobicContact CG-CB 4.38Å; L352-P354 CarbonylContact O-C 3.52Å; P354-Q356 PolarHBondContact O-NE2 2.84Å; P354-N383 CarbonylContact C-O 3.56Å; P354-N383 WeakPolarHBondContact CA-O 3.5Å; P354-Y438 WeakPolarHBondContact O-CE2 3.11Å; P354-P445 HydrophobicContact CG-CB 4.12Å; P354-P445 HydrophobicContact CG-CG 3.66Å; P354-L446 HydrophobicContact CG-CD2 4.2Å
355	Q	95.6	Very high	93.6	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-68.8	139.9	-179.9	-62.6	-177.7	-73.1	0	0	110.7	P343 G344 S350 L352 M353 T382 N383	P343-Q355 HydrophobicContact CG-CB 3.77Å; P343-Q355 PolarHBondContact O-OE1 3.1Å; P343-Q355 VanDerWaalsContact O-OE1 3.05Å; G344-Q355 PolarHBondContact O-NE2 3.31Å; G344-Q355 VanDerWaalsContact O-NE2 3.09Å; S350-Q355 PolarHBondContact O-NE2 3.34Å; L352-Q355 WeakPolarHBondContact O-CA 3.39Å; L352-Q355 WeakPolarHBondContact O-CG 3.48Å; L352-Q355 PolarHBondContact O-N 3.08Å; L352-Q355 VanDerWaalsContact O-N 3.14Å; M353-Q355 HydrophobicContact SD-CG 3.87Å; Q355-T382 CarbonylContact O-C 3.5Å; Q355-T382 WeakPolarHBondContact O-CA 3.35Å; Q355-T382 WeakPolarHBondContact O-CB 3.44Å; Q355-N383 HydrophobicContact CB-CB 4.17Å; Q355-N383 PolarHBondContact N-O 2.88Å; Q355-N383 PolarHBondContact O-N 3Å; Q355-N383 PolarHBondContact OE1-ND2 2.81Å
356	Q	95.4	Very high	93.8	Very high	42 Å²	42	39.3 Å²	39.3	20%	0.196	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-87.7	151.7	-179.8	-58.5	-54.2	-68.5	0	0	111.2	F17 V19 T349 P354	F17-Q356 PolarHBondContact O-NE2 3.34Å; V19-Q356 VanDerWaalsContact N-OE1 3.13Å; T349-Q356 WeakPolarHBondContact CG2-O 3.36Å; P354-Q356 PolarHBondContact O-NE2 2.84Å
357	P	95.7	Very high	93.9	Very high	49 Å²	49	39.3 Å²	39.3	32%	0.318	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-53.2	150.7	-174.7	-26.7	32.9	0	0	0	115.4	H359 R381 T382	P357-H359 PolarHBondContact O-N 3.31Å; P357-R381 WeakPolarHBondContact CA-O 3.48Å; P357-T382 HydrophobicContact CG-CG2 4.3Å
358	I	95.3	Very high	93.9	Very high	6 Å²	6	43.5 Å²	43.5	3%	0.031	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-61	125.1	163.9	-63	167.6	0	0	0	108.2	M311 L341 P343 D347 P348 T349 A362	M311-I358 HydrophobicContact CE-CG2 4.4Å; L341-I358 HydrophobicContact CD1-CD1 4.46Å; L341-I358 HydrophobicContact CD2-CD1 3.78Å; L341-I358 HydrophobicContact CG-CD1 4.04Å; P343-I358 HydrophobicContact CB-CG1 4.19Å; D347-I358 HydrophobicContact CB-CD1 4Å; D347-I358 HydrophobicContact CB-CG1 4.38Å; P348-I358 HydrophobicContact CG-CG2 4.34Å; T349-I358 HydrophobicContact CG2-CB 4.3Å; T349-I358 HydrophobicContact CG2-CG1 3.68Å; I358-A362 HydrophobicContact CG2-CB 3.94Å
359	H	94.2	Very high	93.9	Very high	135 Å²	135	47.4 Å²	47.4	63%	0.625	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-67.1	138.5	-177.9	-169.4	-87.2	0	0	0	110.9	P357 A361 A362	P357-H359 PolarHBondContact O-N 3.31Å; H359-A361 WeakPolarHBondContact ND1-CB 3.17Å; H359-A361 PolarHBondContact ND1-N 2.91Å; H359-A361 VanDerWaalsContact ND1-N 3.14Å; H359-A361 PolarHBondContact O-N 3.07Å; H359-A361 VanDerWaalsContact O-N 3.07Å; H359-A362 WeakPolarHBondContact O-CB 3.32Å; H359-A362 PolarHBondContact O-N 3.07Å
360	S	93.5	Very high	93.9	Very high	43 Å²	43	46 Å²	46	30%	0.301	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-57.9	-27.2	-176.6	55.5	0	0	0	0	114.1	A362 L363	S360-A362 PolarHBondContact O-N 2.67Å; S360-L363 CarbonylContact O-C 3.58Å; S360-L363 PolarHBondContact O-N 2.67Å
361	A	93.5	Very high	93.9	Very high	76 Å²	76	46.7 Å²	46.7	63%	0.628	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-62.3	-18.8	174	0	0	0	0	0	114.1	H359 L363	H359-A361 WeakPolarHBondContact ND1-CB 3.17Å; H359-A361 PolarHBondContact ND1-N 2.91Å; H359-A361 VanDerWaalsContact ND1-N 3.14Å; H359-A361 PolarHBondContact O-N 3.07Å; H359-A361 VanDerWaalsContact O-N 3.07Å; A361-L363 VanDerWaalsContact C-N 3.26Å
362	A	93.8	Very high	94	Very high	31 Å²	31	44.1 Å²	44.1	26%	0.256	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-80.3	-7.5	172.6	0	0	0	0	0	113.1	M311 I358 H359 S360 P364	M311-A362 HydrophobicContact CE-CB 4.13Å; M311-A362 WeakPolarHBondContact CE-O 3.43Å; M311-A362 HydrophobicContact CG-CB 4.31Å; M311-A362 WeakPolarHBondContact CG-O 3.26Å; I358-A362 HydrophobicContact CG2-CB 3.94Å; H359-A362 WeakPolarHBondContact O-CB 3.32Å; H359-A362 PolarHBondContact O-N 3.07Å; S360-A362 PolarHBondContact O-N 2.67Å; A362-P364 VanDerWaalsContact C-CD 3.45Å
363	L	96	Very high	93.7	Very high	7 Å²	7	48.3 Å²	48.3	4%	0.037	30%	0.304	C	S	.	.			trans	-131.1	50.9	-174.9	-67.5	170.1	0	0	0	112.6	M311 F314 D315 L318 L341 S360 A361 C365 V367	M311-L363 HydrophobicContact CE-CD1 4.45Å; M311-L363 HydrophobicContact CE-CD2 3.2Å; M311-L363 HydrophobicContact CE-CG 3.66Å; F314-L363 HydrophobicContact CD1-CD2 4.21Å; F314-L363 HydrophobicContact CE1-CD2 4.25Å; D315-L363 HydrophobicContact CB-CD2 3.93Å; D315-L363 WeakPolarHBondContact OD1-CA 3.42Å; L318-L363 HydrophobicContact CD1-CD1 4.33Å; L318-L363 HydrophobicContact CD1-CD2 3.67Å; L341-L363 HydrophobicContact CD2-CD1 3.75Å; S360-L363 CarbonylContact O-C 3.58Å; S360-L363 PolarHBondContact O-N 2.67Å; A361-L363 VanDerWaalsContact C-N 3.26Å; L363-C365 PolarHBondContact O-N 3.27Å; L363-V367 HydrophobicContact CB-CG2 3.98Å; L363-V367 WeakPolarHBondContact O-CB 3.45Å; L363-V367 WeakPolarHBondContact O-CG2 3.38Å; L363-V367 PolarHBondContact O-N 2.9Å
364	P	95.8	Very high	93.2	Very high	80 Å²	80	51.5 Å²	51.5	52%	0.519	34%	0.34	S	S	.	.	H	α-helix	trans	-60.2	-40.5	-172.8	24.8	-35.1	0	0	0	114	D315 A362 S368	D315-P364 WeakPolarHBondContact OD2-CD 3.39Å; D315-P364 WeakPolarHBondContact OD2-CG 3.13Å; A362-P364 VanDerWaalsContact C-CD 3.45Å; P364-S368 VanDerWaalsContact O-CB 3.28Å; P364-S368 WeakPolarHBondContact O-CB 3.35Å; P364-S368 PolarHBondContact O-N 3.45Å; P364-S368 VanDerWaalsContact O-N 3.09Å
365	C	96.5	Very high	92.7	Very high	71 Å²	71	53.4 Å²	53.4	48%	0.48	35%	0.353	S	S	.	.	H	α-helix	trans	-71.8	-48.3	-178.3	-65.3	0	0	0	0	111.4	D315 A319 L363 S368 R369	D315-C365 PolarHBondContact OD1-N 3.06Å; D315-C365 VanDerWaalsContact OD2-CB 3.25Å; D315-C365 WeakPolarHBondContact OD2-CB 3.43Å; D315-C365 PolarHBondContact OD2-N 3.28Å; A319-C365 HydrophobicContact CB-CB 3.98Å; L363-C365 PolarHBondContact O-N 3.27Å; C365-S368 PolarHBondContact O-N 3.19Å; C365-R369 WeakPolarHBondContact O-CB 3.32Å; C365-R369 PolarHBondContact O-N 2.9Å
366	A	95.6	Very high	92.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-68.4	-38.2	-177.9	0	0	0	0	0	112	D315 L318 A319 R369 S370 L378	D315-A366 WeakPolarHBondContact OD1-CB 3.22Å; D315-A366 PolarHBondContact OD1-N 3.16Å; L318-A366 HydrophobicContact CB-CB 3.57Å; L318-A366 HydrophobicContact CD1-CB 4.37Å; A319-A366 HydrophobicContact CB-CB 4.34Å; A366-R369 PolarHBondContact O-N 3.47Å; A366-S370 WeakPolarHBondContact O-CB 3.47Å; A366-S370 PolarHBondContact O-N 3.23Å; A366-S370 PolarHBondContact O-OG 2.92Å; A366-L378 HydrophobicContact CB-CD2 3.49Å; A366-L378 VanDerWaalsContact CB-CD2 3.49Å
367	V	94.6	Very high	91.9	Very high	19 Å²	19	55.4 Å²	55.4	12%	0.115	38%	0.375	C	S	.	.	H	α-helix	trans	-65.8	-41.7	174.1	171.1	0	0	0	0	111	L363 R369 S370 G372 V373 L378	L363-V367 HydrophobicContact CB-CG2 3.98Å; L363-V367 WeakPolarHBondContact O-CB 3.45Å; L363-V367 WeakPolarHBondContact O-CG2 3.38Å; L363-V367 PolarHBondContact O-N 2.9Å; V367-R369 VanDerWaalsContact C-N 3.35Å; V367-S370 PolarHBondContact O-N 2.86Å; V367-S370 PolarHBondContact O-OG 3.03Å; V367-G372 VanDerWaalsContact O-CA 3.23Å; V367-G372 WeakPolarHBondContact O-CA 3.42Å; V367-G372 PolarHBondContact O-N 3.31Å; V367-V373 HydrophobicContact CG1-CG2 3.69Å; V367-L378 HydrophobicContact CG2-CD2 4.39Å
368	S	93.6	Very high	91.8	Very high	91 Å²	91	53.9 Å²	53.9	64%	0.636	36%	0.364	S	S	*	.	H	α-helix	trans	-61.8	-44.7	174.4	-179.7	0	0	0	0	111.3	P364 C365 S370 G371	P364-S368 VanDerWaalsContact O-CB 3.28Å; P364-S368 WeakPolarHBondContact O-CB 3.35Å; P364-S368 PolarHBondContact O-N 3.45Å; P364-S368 VanDerWaalsContact O-N 3.09Å; C365-S368 PolarHBondContact O-N 3.19Å; S368-S370 VanDerWaalsContact C-N 3.31Å; S368-S370 PolarHBondContact O-N 3.32Å; S368-G371 PolarHBondContact O-N 3.48Å
369	R	91.2	Very high	91.7	Very high	144 Å²	144	54.7 Å²	54.7	54%	0.543	37%	0.37	S	S	.	.	H	α-helix	trans	-61.7	-37.3	178.2	-179.9	64.4	179.6	120	-4.4	113	A319 C365 A366 V367 G371	A319-R369 HydrophobicContact CB-CB 4.39Å; A319-R369 WeakPolarHBondContact O-CG 3.15Å; C365-R369 WeakPolarHBondContact O-CB 3.32Å; C365-R369 PolarHBondContact O-N 2.9Å; A366-R369 PolarHBondContact O-N 3.47Å; V367-R369 VanDerWaalsContact C-N 3.35Å; R369-G371 PolarHBondContact O-N 2.84Å
370	S	90.3	Very high	91.7	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.021	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-2.8	-176.9	78.4	0	0	0	0	114.1	A366 V367 S368 S375 N377	A366-S370 WeakPolarHBondContact O-CB 3.47Å; A366-S370 PolarHBondContact O-N 3.23Å; A366-S370 PolarHBondContact O-OG 2.92Å; V367-S370 PolarHBondContact O-N 2.86Å; V367-S370 PolarHBondContact O-OG 3.03Å; S368-S370 VanDerWaalsContact C-N 3.31Å; S368-S370 PolarHBondContact O-N 3.32Å; S370-S375 WeakPolarHBondContact O-CB 3.07Å; S370-S375 PolarHBondContact O-OG 3.4Å; S370-S375 PolarHBondContact OG-OG 3.39Å; S370-N377 PolarHBondContact O-ND2 2.82Å
371	G	90.2	Very high	91.9	Very high	64 Å²	64	49.1 Å²	49.1	66%	0.66	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	101	12.6	-176.9	0	0	0	0	0	114.5	S368 R369	S368-G371 PolarHBondContact O-N 3.48Å; R369-G371 PolarHBondContact O-N 2.84Å
372	G	89.9	Confident	92	Very high	24 Å²	24	45.8 Å²	45.8	25%	0.247	32%	0.319	C	S	.	.	S	Bend	trans	93.2	176.7	179.2	0	0	0	0	0	113.8	V367 G374 S375	V367-G372 VanDerWaalsContact O-CA 3.23Å; V367-G372 WeakPolarHBondContact O-CA 3.42Å; V367-G372 PolarHBondContact O-N 3.31Å; G372-G374 PolarHBondContact O-N 3.3Å; G372-S375 WeakPolarHBondContact O-CB 3.48Å; G372-S375 PolarHBondContact O-N 2.92Å; G372-S375 PolarHBondContact O-OG 3.06Å
373	V	88.1	Confident	92.2	Very high	116 Å²	116	44.4 Å²	44.4	70%	0.703	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	128.8	178.2	-178.1	0	0	0	0	109.4	V367	V367-V373 HydrophobicContact CG1-CG2 3.69Å
374	G	82.6	Confident	92.3	Very high	78 Å²	78	44.2 Å²	44.2	80%	0.804	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	2.1	178.7	0	0	0	0	0	114.9	G372 G376	G372-G374 PolarHBondContact O-N 3.3Å; G374-G376 PolarHBondContact O-N 3.36Å; G374-G376 VanDerWaalsContact O-N 3.14Å
375	S	84.9	Confident	92.3	Very high	41 Å²	41	40.5 Å²	40.5	29%	0.287	28%	0.282	S	S	.	.			trans	-61.6	-17.9	173.8	68	0	0	0	0	113.9	S370 G372 N377	S370-S375 WeakPolarHBondContact O-CB 3.07Å; S370-S375 PolarHBondContact O-OG 3.4Å; S370-S375 PolarHBondContact OG-OG 3.39Å; G372-S375 WeakPolarHBondContact O-CB 3.48Å; G372-S375 PolarHBondContact O-N 2.92Å; G372-S375 PolarHBondContact O-OG 3.06Å; S375-N377 PolarHBondContact O-N 2.82Å; S375-N377 PolarHBondContact OG-N 3.14Å
376	G	85	Confident	92.3	Very high	41 Å²	41	37.8 Å²	37.8	42%	0.423	26%	0.264	S	S	.	.	S	Bend	trans	76.6	-8.9	-176	0	0	0	0	0	114.3	G374	G374-G376 PolarHBondContact O-N 3.36Å; G374-G376 VanDerWaalsContact O-N 3.14Å
377	N	89.5	Confident	92.3	Very high	45 Å²	45	38 Å²	38	24%	0.241	27%	0.265	C	S	.	.	S	Bend	trans	-84.5	-32.7	-173	-60.6	-46.7	0	0	0	113.6	I323 S338 I339 S370 S375	I323-N377 HydrophobicContact CG2-CB 3.62Å; S338-N377 CarbonylContact C-O 3.5Å; S338-N377 WeakPolarHBondContact CA-O 3.12Å; I339-N377 PolarHBondContact N-O 2.85Å; S370-N377 PolarHBondContact O-ND2 2.82Å; S375-N377 PolarHBondContact O-N 2.82Å; S375-N377 PolarHBondContact OG-N 3.14Å
378	L	93.9	Very high	92.3	Very high	17 Å²	17	40.8 Å²	40.8	9%	0.089	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	114.3	170.5	173.8	66.6	0	0	0	107.9	I323 I339 A366 V367	I323-L378 HydrophobicContact CG2-CB 4.29Å; I339-L378 HydrophobicContact CB-CD1 3.84Å; I339-L378 HydrophobicContact CG2-CD1 3.84Å; I339-L378 WeakPolarHBondContact O-CA 3.26Å; A366-L378 HydrophobicContact CB-CD2 3.49Å; A366-L378 VanDerWaalsContact CB-CD2 3.49Å; V367-L378 HydrophobicContact CG2-CD2 4.39Å
379	C	93.3	Very high	92.2	Very high	22 Å²	22	37 Å²	37	15%	0.149	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	126.7	-177.3	-62.3	0	0	0	0	111.4	I339 D340 L341	I339-C379 PolarHBondContact O-N 2.94Å; D340-C379 WeakPolarHBondContact CA-O 3.32Å; D340-C379 WeakPolarHBondContact OD1-CB 3.35Å; L341-C379 PolarHBondContact N-O 3.11Å
380	G	94.9	Very high	92.1	Very high	32 Å²	32	36 Å²	36	33%	0.33	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	133.9	160.6	0	0	0	0	0	109.8
381	R	95.8	Very high	92.1	Very high	29 Å²	29	42 Å²	42	11%	0.109	28%	0.278	C	S	.	.			trans	-123.1	162.4	-179.4	-59.3	-58.7	-172.9	-179.7	3.1	111.5	I13 D340 L341 L342 P343 P357 Y385	I13-R381 VanDerWaalsContact CD1-NH1 3.34Å; D340-R381 HydrophobicContact CB-CG 3.86Å; D340-R381 IonicContact OD1-CZ 3.69Å; D340-R381 VanDerWaalsContact OD1-CZ 3.31Å; D340-R381 IonicContact OD1-NE 3.62Å; D340-R381 PolarHBondContact OD1-NE 2.9Å; D340-R381 IonicContact OD1-NH2 2.97Å; D340-R381 PolarHBondContact OD1-NH2 3.22Å; D340-R381 IonicContact OD2-NE 3.27Å; D340-R381 IonicContact OD2-NH2 3.96Å; L341-R381 PolarHBondContact O-N 3.2Å; L342-R381 HydrophobicContact CD1-CB 4.15Å; L342-R381 HydrophobicContact CG-CB 4.41Å; P343-R381 WeakPolarHBondContact CD-O 3.37Å; P357-R381 WeakPolarHBondContact CA-O 3.48Å; R381-Y385 HydrophobicContact CB-CD1 3.94Å; R381-Y385 HydrophobicContact CB-CD2 3.88Å; R381-Y385 HydrophobicContact CB-CE1 4.31Å; R381-Y385 HydrophobicContact CB-CE2 4.28Å; R381-Y385 HydrophobicContact CB-CG 3.72Å; R381-Y385 HydrophobicContact CG-CD1 3.8Å; R381-Y385 HydrophobicContact CG-CD2 4.07Å; R381-Y385 HydrophobicContact CG-CE1 3.67Å; R381-Y385 HydrophobicContact CG-CE2 3.98Å; R381-Y385 HydrophobicContact CG-CG 4.01Å; R381-Y385 VanDerWaalsContact CZ-OH 3.25Å; R381-Y385 PolarHBondContact NE-OH 2.86Å; R381-Y385 PolarHBondContact NH2-OH 2.68Å
382	T	96.7	Very high	92.2	Very high	7 Å²	7	40.2 Å²	40.2	4%	0.043	25%	0.251	C	S	.	.			trans	-69.4	162.8	174	51.2	0	0	0	0	110.2	F17 Q18 L342 Q355 P357 P384 Y385	F17-T382 HydrophobicContact CB-CG2 4.18Å; F17-T382 WeakPolarHBondContact CB-OG1 3.48Å; F17-T382 WeakPolarHBondContact O-CG2 3.44Å; Q18-T382 HydrophobicContact CG-CG2 4.03Å; L342-T382 WeakPolarHBondContact CG-O 3.18Å; Q355-T382 CarbonylContact O-C 3.5Å; Q355-T382 WeakPolarHBondContact O-CA 3.35Å; Q355-T382 WeakPolarHBondContact O-CB 3.44Å; P357-T382 HydrophobicContact CG-CG2 4.3Å; T382-P384 CarbonylContact C-O 3.55Å; T382-P384 WeakPolarHBondContact CB-O 3.36Å; T382-P384 CarbonylContact O-C 3.58Å; T382-P384 VanDerWaalsContact O-C 3.29Å; T382-P384 VanDerWaalsContact O-O 3.11Å; T382-P384 PolarHBondContact OG1-O 3.05Å; T382-Y385 WeakPolarHBondContact O-CB 3.23Å
383	N	97.4	Very high	92.5	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-123.5	112.1	166.1	169	36.7	0	0	0	109.1	L342 P343 P354 Q355 T397 S398 Q400	L342-N383 HydrophobicContact CB-CB 4.49Å; L342-N383 HydrophobicContact CD2-CB 4.35Å; P343-N383 HydrophobicContact CG-CB 4.07Å; P343-N383 PolarHBondContact O-ND2 3.05Å; P354-N383 CarbonylContact C-O 3.56Å; P354-N383 WeakPolarHBondContact CA-O 3.5Å; Q355-N383 HydrophobicContact CB-CB 4.17Å; Q355-N383 PolarHBondContact N-O 2.88Å; Q355-N383 PolarHBondContact O-N 3Å; Q355-N383 PolarHBondContact OE1-ND2 2.81Å; N383-T397 WeakPolarHBondContact OD1-CA 3.34Å; N383-S398 WeakPolarHBondContact ND2-CB 3.42Å; N383-S398 PolarHBondContact ND2-OG 3.05Å; N383-S398 PolarHBondContact OD1-N 3.48Å; N383-Q400 PolarHBondContact ND2-NE2 3.43Å; N383-Q400 VanDerWaalsContact ND2-NE2 3.18Å; N383-Q400 PolarHBondContact ND2-OE1 3.02Å
384	P	97.7	Very high	92.9	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.019	22%	0.215	C	C	.	.	S	Bend	cis	-68.6	165.6	4	-21.8	36.6	0	0	0	115	F17 M353 T382 L395 A396 T397 L427 L446	F17-P384 WeakPolarHBondContact CB-O 3.34Å; F17-P384 HydrophobicContact CD1-CB 4.44Å; F17-P384 HydrophobicContact CD1-CG 4.44Å; F17-P384 HydrophobicContact CD2-CB 4.18Å; F17-P384 WeakPolarHBondContact CD2-O 3.39Å; F17-P384 HydrophobicContact CE1-CB 4.15Å; F17-P384 HydrophobicContact CE1-CG 4.13Å; F17-P384 HydrophobicContact CE2-CB 3.87Å; F17-P384 HydrophobicContact CG-CB 4.46Å; F17-P384 WeakPolarHBondContact CG-O 3.42Å; F17-P384 HydrophobicContact CZ-CB 3.86Å; F17-P384 HydrophobicContact CZ-CG 4.28Å; M353-P384 HydrophobicContact CE-CG 4.31Å; T382-P384 CarbonylContact C-O 3.55Å; T382-P384 WeakPolarHBondContact CB-O 3.36Å; T382-P384 CarbonylContact O-C 3.58Å; T382-P384 VanDerWaalsContact O-C 3.29Å; T382-P384 VanDerWaalsContact O-O 3.11Å; T382-P384 PolarHBondContact OG1-O 3.05Å; P384-L395 HydrophobicContact CB-CD1 4.07Å; P384-A396 WeakPolarHBondContact CA-O 3.11Å; P384-T397 HydrophobicContact CB-CG2 3.86Å; P384-T397 HydrophobicContact CG-CG2 4.04Å; P384-L427 HydrophobicContact CB-CD1 4.13Å; P384-L427 HydrophobicContact CG-CD1 3.89Å; P384-L446 HydrophobicContact CG-CD2 3.92Å
385	Y	97	Very high	93.7	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.008	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	129.1	173.2	-179.9	-135.4	0	0	0	110.8	I13 D340 L342 R381 T382 F387 L395 A396	I13-Y385 HydrophobicContact CG2-CE2 4.43Å; D340-Y385 HydrophobicContact CB-CE1 4.13Å; D340-Y385 WeakPolarHBondContact OD2-CE1 3.49Å; L342-Y385 HydrophobicContact CD1-CD1 4.15Å; R381-Y385 HydrophobicContact CB-CD1 3.94Å; R381-Y385 HydrophobicContact CB-CD2 3.88Å; R381-Y385 HydrophobicContact CB-CE1 4.31Å; R381-Y385 HydrophobicContact CB-CE2 4.28Å; R381-Y385 HydrophobicContact CB-CG 3.72Å; R381-Y385 HydrophobicContact CG-CD1 3.8Å; R381-Y385 HydrophobicContact CG-CD2 4.07Å; R381-Y385 HydrophobicContact CG-CE1 3.67Å; R381-Y385 HydrophobicContact CG-CE2 3.98Å; R381-Y385 HydrophobicContact CG-CG 4.01Å; R381-Y385 VanDerWaalsContact CZ-OH 3.25Å; R381-Y385 PolarHBondContact NE-OH 2.86Å; R381-Y385 PolarHBondContact NH2-OH 2.68Å; T382-Y385 WeakPolarHBondContact O-CB 3.23Å; Y385-F387 AromaticContact CD1-CD1 3.54Å; Y385-F387 HydrophobicContact CD1-CD1 3.54Å; Y385-F387 AromaticContact CD1-CE1 3.88Å; Y385-F387 HydrophobicContact CD1-CE1 3.88Å; Y385-F387 HydrophobicContact CD1-CG 4.32Å; Y385-F387 HydrophobicContact CE1-CB 3.92Å; Y385-F387 AromaticContact CE1-CD1 3.22Å; Y385-F387 HydrophobicContact CE1-CD1 3.22Å; Y385-F387 HydrophobicContact CE1-CD2 4.3Å; Y385-F387 AromaticContact CE1-CE1 3.72Å; Y385-F387 HydrophobicContact CE1-CE1 3.72Å; Y385-F387 AromaticContact CE1-CG 3.57Å; Y385-F387 HydrophobicContact CE1-CG 3.57Å; Y385-F387 HydrophobicContact CE1-CZ 4.42Å; Y385-F387 HydrophobicContact CE2-CB 4.07Å; Y385-F387 HydrophobicContact CG-CD1 4.35Å; Y385-F387 AromaticContact CZ-CD1 3.81Å; Y385-F387 AromaticContact CZ-CG 3.74Å; Y385-F387 WeakPolarHBondContact OH-CB 3.42Å; Y385-L395 CarbonylContact O-C 3.42Å; Y385-L395 WeakPolarHBondContact O-CA 3.45Å; Y385-A396 PolarHBondContact N-O 3.15Å; Y385-A396 PolarHBondContact O-N 3.37Å
386	S	96.5	Very high	94.3	Very high	15 Å²	15	29.4 Å²	29.4	11%	0.105	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	133.2	174.4	-178.5	0	0	0	0	110.9	C14 I394	C14-S386 WeakPolarHBondContact CB-O 3.44Å; C14-S386 PolarHBondContact N-O 3.07Å; S386-I394 WeakPolarHBondContact CA-O 3.42Å
387	F	95.5	Very high	94.9	Very high	5 Å²	5	27.9 Å²	27.9	2%	0.022	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	164.2	-176.4	69.6	-71.1	0	0	0	111.9	H11 L266 Y385 L389 I394	H11-F387 AromaticContact NE2-CD2 3.91Å; L266-F387 HydrophobicContact CD1-CE1 4.42Å; L266-F387 HydrophobicContact CD1-CZ 4.27Å; L266-F387 HydrophobicContact CD2-CE1 4.17Å; L266-F387 HydrophobicContact CD2-CZ 3.95Å; Y385-F387 AromaticContact CD1-CD1 3.54Å; Y385-F387 HydrophobicContact CD1-CD1 3.54Å; Y385-F387 AromaticContact CD1-CE1 3.88Å; Y385-F387 HydrophobicContact CD1-CE1 3.88Å; Y385-F387 HydrophobicContact CD1-CG 4.32Å; Y385-F387 HydrophobicContact CE1-CB 3.92Å; Y385-F387 AromaticContact CE1-CD1 3.22Å; Y385-F387 HydrophobicContact CE1-CD1 3.22Å; Y385-F387 HydrophobicContact CE1-CD2 4.3Å; Y385-F387 AromaticContact CE1-CE1 3.72Å; Y385-F387 HydrophobicContact CE1-CE1 3.72Å; Y385-F387 AromaticContact CE1-CG 3.57Å; Y385-F387 HydrophobicContact CE1-CG 3.57Å; Y385-F387 HydrophobicContact CE1-CZ 4.42Å; Y385-F387 HydrophobicContact CE2-CB 4.07Å; Y385-F387 HydrophobicContact CG-CD1 4.35Å; Y385-F387 AromaticContact CZ-CD1 3.81Å; Y385-F387 AromaticContact CZ-CG 3.74Å; Y385-F387 WeakPolarHBondContact OH-CB 3.42Å; F387-L389 HydrophobicContact CD2-CB 4.17Å; F387-L389 HydrophobicContact CE2-CB 3.8Å; F387-L389 HydrophobicContact CE2-CD2 4.24Å; F387-I394 HydrophobicContact CD1-CB 4.12Å; F387-I394 HydrophobicContact CE1-CB 3.64Å; F387-I394 HydrophobicContact CE1-CG2 3.67Å; F387-I394 HydrophobicContact CE2-CD1 4.26Å; F387-I394 HydrophobicContact CZ-CB 3.89Å; F387-I394 HydrophobicContact CZ-CD1 3.93Å; F387-I394 HydrophobicContact CZ-CG1 4.42Å; F387-I394 HydrophobicContact CZ-CG2 3.99Å; F387-I394 PolarHBondContact N-O 3.1Å; F387-I394 PolarHBondContact O-N 2.82Å
388	M	94.7	Very high	95.3	Very high	76 Å²	76	25.7 Å²	25.7	37%	0.374	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	127.9	174.8	-171.7	174.5	-67.6	0	0	110.7	R392	M388-R392 CarbonylContact C-O 3.54Å; M388-R392 VanDerWaalsContact CA-O 3.29Å; M388-R392 WeakPolarHBondContact CA-O 3.31Å
389	L	91.9	Very high	95.4	Very high	13 Å²	13	24.9 Å²	24.9	7%	0.068	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	120.7	176.7	179.1	64.1	0	0	0	110	V215 I263 H264 F387 N391 R392 I394 L516	V215-L389 HydrophobicContact CG2-CD2 3.56Å; I263-L389 HydrophobicContact CD1-CD1 4.47Å; I263-L389 HydrophobicContact CD1-CD2 4.49Å; H264-L389 HydrophobicContact CB-CD2 3.94Å; F387-L389 HydrophobicContact CD2-CB 4.17Å; F387-L389 HydrophobicContact CE2-CB 3.8Å; F387-L389 HydrophobicContact CE2-CD2 4.24Å; L389-N391 VanDerWaalsContact C-N 3.26Å; L389-N391 PolarHBondContact O-N 3.14Å; L389-R392 PolarHBondContact N-O 2.85Å; L389-R392 WeakPolarHBondContact O-CB 3.42Å; L389-R392 PolarHBondContact O-N 2.85Å; L389-I394 HydrophobicContact CB-CD1 4.11Å; L389-I394 HydrophobicContact CD2-CD1 4.31Å; L389-L516 HydrophobicContact CD2-CD1 3.76Å; L389-L516 HydrophobicContact CG-CD1 3.79Å
390	R	88.3	Confident	95.5	Very high	123 Å²	123	24.9 Å²	24.9	46%	0.464	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	45.3	-179.9	-59.2	-70.1	-173	144.4	3.5	113	I263 R392 L516	I263-R390 HydrophobicContact CD1-CG 4.14Å; R390-R392 VanDerWaalsContact C-N 3.27Å; R390-R392 PolarHBondContact O-N 2.85Å; R390-L516 HydrophobicContact CB-CD1 3.98Å; R390-L516 HydrophobicContact CG-CD1 3.99Å
391	N	90.1	Very high	95.5	Very high	127 Å²	127	23.8 Å²	23.8	68%	0.679	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.5	20.8	-176.5	-54.9	-26.6	0	0	0	115.4	L389	L389-N391 VanDerWaalsContact C-N 3.26Å; L389-N391 PolarHBondContact O-N 3.14Å
392	R	93.5	Very high	95.5	Very high	28 Å²	28	22.4 Å²	22.4	11%	0.106	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.5	167.7	-63.4	-60.4	-171.8	-172.5	1.5	110.7	Y194 M388 L389 R390 I394 D465 L516 K517	Y194-R392 PolarHBondContact O-NH1 3.26Å; Y194-R392 PolarHBondContact O-NH2 3.02Å; M388-R392 CarbonylContact C-O 3.54Å; M388-R392 VanDerWaalsContact CA-O 3.29Å; M388-R392 WeakPolarHBondContact CA-O 3.31Å; L389-R392 PolarHBondContact N-O 2.85Å; L389-R392 WeakPolarHBondContact O-CB 3.42Å; L389-R392 PolarHBondContact O-N 2.85Å; R390-R392 VanDerWaalsContact C-N 3.27Å; R390-R392 PolarHBondContact O-N 2.85Å; R392-I394 HydrophobicContact CB-CG1 4.37Å; R392-D465 VanDerWaalsContact CA-OD2 3.31Å; R392-D465 WeakPolarHBondContact CA-OD2 3.39Å; R392-L516 HydrophobicContact CB-CD2 4.44Å; R392-L516 HydrophobicContact CG-CB 4.33Å; R392-L516 HydrophobicContact CG-CD2 4.32Å; R392-L516 PolarHBondContact NE-O 2.96Å; R392-L516 PolarHBondContact NH2-O 3.21Å; R392-K517 PolarHBondContact NH2-O 3.43Å
393	S	94.9	Very high	95.4	Very high	23 Å²	23	23.4 Å²	23.4	16%	0.161	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	118.2	168.3	-177.6	0	0	0	0	109.5	D465 I466	S393-D465 PolarHBondContact N-OD2 3.07Å; S393-D465 WeakPolarHBondContact O-CA 3.13Å; S393-D465 WeakPolarHBondContact O-CB 3.39Å; S393-D465 PolarHBondContact O-N 3.48Å; S393-I466 PolarHBondContact O-N 3.35Å; S393-I466 VanDerWaalsContact O-N 3.12Å
394	I	97.4	Very high	95.1	Very high	4 Å²	4	24 Å²	24	2%	0.021	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130.3	-178.2	-53.6	-179.4	0	0	0	108.8	L266 S386 F387 L389 R392 I466 L516	L266-I394 HydrophobicContact CD1-CG2 4.45Å; S386-I394 WeakPolarHBondContact CA-O 3.42Å; F387-I394 HydrophobicContact CD1-CB 4.12Å; F387-I394 HydrophobicContact CE1-CB 3.64Å; F387-I394 HydrophobicContact CE1-CG2 3.67Å; F387-I394 HydrophobicContact CE2-CD1 4.26Å; F387-I394 HydrophobicContact CZ-CB 3.89Å; F387-I394 HydrophobicContact CZ-CD1 3.93Å; F387-I394 HydrophobicContact CZ-CG1 4.42Å; F387-I394 HydrophobicContact CZ-CG2 3.99Å; F387-I394 PolarHBondContact N-O 3.1Å; F387-I394 PolarHBondContact O-N 2.82Å; L389-I394 HydrophobicContact CB-CD1 4.11Å; L389-I394 HydrophobicContact CD2-CD1 4.31Å; R392-I394 HydrophobicContact CB-CG1 4.37Å; I394-I466 CarbonylContact C-O 3.56Å; I394-I466 WeakPolarHBondContact CA-O 3.39Å; I394-I466 HydrophobicContact CD1-CD1 4.35Å; I394-I466 HydrophobicContact CG1-CB 4.29Å; I394-I466 HydrophobicContact CG1-CD1 4.26Å; I394-I466 HydrophobicContact CG2-CB 4.43Å; I394-L516 HydrophobicContact CD1-CD2 4.01Å
395	L	98	Very high	95	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	121.2	169.6	176.4	67.6	0	0	0	108.6	F17 P384 Y385 L427 P464 I466 Y467 V468	F17-L395 HydrophobicContact CE2-CD1 4.4Å; P384-L395 HydrophobicContact CB-CD1 4.07Å; Y385-L395 CarbonylContact O-C 3.42Å; Y385-L395 WeakPolarHBondContact O-CA 3.45Å; L395-L427 HydrophobicContact CD1-CD1 4.07Å; L395-L427 HydrophobicContact CD2-CD1 4.04Å; L395-L427 HydrophobicContact CD2-CD2 3.54Å; L395-L427 HydrophobicContact CD2-CG 4.46Å; L395-P464 HydrophobicContact CB-CB 3.68Å; L395-P464 HydrophobicContact CB-CG 3.82Å; L395-P464 HydrophobicContact CD2-CG 4.11Å; L395-I466 PolarHBondContact N-O 3.39Å; L395-Y467 HydrophobicContact CB-CD2 4.19Å; L395-Y467 HydrophobicContact CD2-CD2 3.73Å; L395-Y467 HydrophobicContact CD2-CE2 3.92Å; L395-Y467 HydrophobicContact CD2-CG 4.16Å; L395-Y467 HydrophobicContact CG-CD2 3.86Å; L395-Y467 HydrophobicContact CG-CE2 4.18Å; L395-Y467 CarbonylContact O-C 3.43Å; L395-Y467 WeakPolarHBondContact O-CA 3.45Å; L395-V468 PolarHBondContact O-N 3Å
396	A	98.2	Very high	94.8	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	140.4	177.3	0	0	0	0	0	110.6	L266 L268 L342 P384 Y385 V468	L266-A396 HydrophobicContact CD1-CB 4.29Å; L268-A396 HydrophobicContact CD2-CB 3.88Å; L342-A396 HydrophobicContact CD1-CB 4.4Å; L342-A396 HydrophobicContact CD2-CB 3.88Å; L342-A396 WeakPolarHBondContact CD2-O 3.48Å; P384-A396 WeakPolarHBondContact CA-O 3.11Å; Y385-A396 PolarHBondContact N-O 3.15Å; Y385-A396 PolarHBondContact O-N 3.37Å; A396-V468 CarbonylContact C-O 3.59Å; A396-V468 WeakPolarHBondContact CA-O 3.29Å
397	T	98.2	Very high	94.5	Very high	9 Å²	9	29 Å²	29	6%	0.055	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	154.5	174.2	67.3	0	0	0	0	110.6	N383 P384 G399 Y467 V468 A469 G470	N383-T397 WeakPolarHBondContact OD1-CA 3.34Å; P384-T397 HydrophobicContact CB-CG2 3.86Å; P384-T397 HydrophobicContact CG-CG2 4.04Å; T397-G399 PolarHBondContact O-N 2.77Å; T397-G399 PolarHBondContact OG1-N 3.02Å; T397-Y467 HydrophobicContact CG2-CE2 3.75Å; T397-V468 PolarHBondContact N-O 2.93Å; T397-V468 PolarHBondContact OG1-O 3.08Å; T397-A469 WeakPolarHBondContact OG1-CA 3.42Å; T397-G470 PolarHBondContact O-N 3.34Å
398	S	97.7	Very high	94.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.137	C	C	.	.			trans	-85	17.1	170.5	-48.3	0	0	0	0	112.7	G269 P343 N383 Q400 G470 C471	G269-S398 PolarHBondContact N-OG 3.3Å; P343-S398 VanDerWaalsContact O-CB 3.32Å; P343-S398 WeakPolarHBondContact O-CB 3.36Å; P343-S398 PolarHBondContact O-OG 2.96Å; N383-S398 WeakPolarHBondContact ND2-CB 3.42Å; N383-S398 PolarHBondContact ND2-OG 3.05Å; N383-S398 PolarHBondContact OD1-N 3.48Å; S398-Q400 PolarHBondContact O-N 3.12Å; S398-Q400 PolarHBondContact O-OE1 3.03Å; S398-G470 CarbonylContact C-O 3.51Å; S398-C471 WeakPolarHBondContact O-CB 3.42Å
399	G	95.9	Very high	94.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	83.6	-9.2	167.9	0	0	0	0	0	117.9	T397 G401 V402 N403 G470	T397-G399 PolarHBondContact O-N 2.77Å; T397-G399 PolarHBondContact OG1-N 3.02Å; G399-G401 VanDerWaalsContact C-N 3.34Å; G399-G401 PolarHBondContact O-N 2.86Å; G399-V402 PolarHBondContact O-N 3.38Å; G399-N403 WeakPolarHBondContact O-CB 3.28Å; G399-N403 VanDerWaalsContact O-CG 3.23Å; G399-N403 PolarHBondContact O-N 3.48Å; G399-G470 WeakPolarHBondContact CA-O 3.5Å; G399-G470 PolarHBondContact N-O 2.87Å
400	Q	95.1	Very high	94.2	Very high	22 Å²	22	29.3 Å²	29.3	10%	0.103	14%	0.135	C	C	.	.	H	α-helix	trans	-58.6	-42.2	-172.5	-59.9	93.6	-33.3	0	0	113.2	N383 S398 V402 N403 E404 L435	N383-Q400 PolarHBondContact ND2-NE2 3.43Å; N383-Q400 VanDerWaalsContact ND2-NE2 3.18Å; N383-Q400 PolarHBondContact ND2-OE1 3.02Å; S398-Q400 PolarHBondContact O-N 3.12Å; S398-Q400 PolarHBondContact O-OE1 3.03Å; Q400-V402 PolarHBondContact O-N 3.36Å; Q400-N403 PolarHBondContact O-N 2.84Å; Q400-E404 VanDerWaalsContact O-CG 3.28Å; Q400-E404 WeakPolarHBondContact O-CG 3.32Å; Q400-E404 PolarHBondContact O-N 3.3Å; Q400-L435 HydrophobicContact CB-CD2 4.14Å
401	G	95.2	Very high	94.4	Very high	8 Å²	8	24.6 Å²	24.6	8%	0.082	12%	0.118	C	C	.	.	H	α-helix	trans	-58.8	-45.7	175.1	0	0	0	0	0	112.5	G399 L405	G399-G401 VanDerWaalsContact C-N 3.34Å; G399-G401 PolarHBondContact O-N 2.86Å; G401-L405 PolarHBondContact O-N 3.5Å
402	V	96	Very high	94.4	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-69.3	-41.7	179.6	-177.2	0	0	0	0	111	G399 Q400 E404 L405 R417 M418 A469	G399-V402 PolarHBondContact O-N 3.38Å; Q400-V402 PolarHBondContact O-N 3.36Å; V402-E404 VanDerWaalsContact C-N 3.32Å; V402-E404 PolarHBondContact O-N 3.09Å; V402-L405 PolarHBondContact O-N 2.73Å; V402-R417 HydrophobicContact CG1-CB 3.7Å; V402-R417 WeakPolarHBondContact O-CD 3.37Å; V402-R417 PolarHBondContact O-NH1 3.31Å; V402-M418 HydrophobicContact CG1-CG 3.98Å; V402-M418 HydrophobicContact CG2-CG 3.75Å; V402-A469 HydrophobicContact CG2-CB 4.03Å
403	N	93.9	Very high	94.3	Very high	27 Å²	27	28.3 Å²	28.3	14%	0.144	14%	0.135	C	C	.	.	H	α-helix	trans	-65.7	-34.9	-179.8	-70.9	-12.9	0	0	0	112.2	G399 Q400 Y406 C471 Q472	G399-N403 WeakPolarHBondContact O-CB 3.28Å; G399-N403 VanDerWaalsContact O-CG 3.23Å; G399-N403 PolarHBondContact O-N 3.48Å; Q400-N403 PolarHBondContact O-N 2.84Å; N403-Y406 WeakPolarHBondContact O-CB 3.29Å; N403-Y406 PolarHBondContact O-N 2.71Å; N403-C471 PolarHBondContact ND2-O 2.82Å; N403-Q472 PolarHBondContact OD1-NE2 3.05Å; N403-Q472 VanDerWaalsContact OD1-NE2 3.17Å; N403-Q472 PolarHBondContact OD1-OE1 3.06Å
404	E	92.2	Very high	94.4	Very high	14 Å²	14	27.2 Å²	27.2	7%	0.065	13%	0.128	C	C	.	.	H	α-helix	trans	-67.7	-36.9	175.7	-75	-80.8	110.2	0	0	112.1	Q400 V402 Y406 R407 Y408 T434 L435	Q400-E404 VanDerWaalsContact O-CG 3.28Å; Q400-E404 WeakPolarHBondContact O-CG 3.32Å; Q400-E404 PolarHBondContact O-N 3.3Å; V402-E404 VanDerWaalsContact C-N 3.32Å; V402-E404 PolarHBondContact O-N 3.09Å; E404-Y406 PolarHBondContact O-N 3.27Å; E404-Y406 VanDerWaalsContact O-N 3.16Å; E404-R407 WeakPolarHBondContact O-CB 3.33Å; E404-R407 PolarHBondContact O-N 2.82Å; E404-R407 IonicContact OE1-CZ 2.8Å; E404-R407 IonicContact OE1-NE 2.93Å; E404-R407 IonicContact OE1-NH1 3.94Å; E404-R407 PolarHBondContact OE1-NH1 3.39Å; E404-Y408 HydrophobicContact CB-CD2 4.41Å; E404-Y408 HydrophobicContact CB-CE2 4.12Å; E404-Y408 WeakPolarHBondContact O-CD2 3.36Å; E404-Y408 WeakPolarHBondContact O-CE2 3.29Å; E404-Y408 PolarHBondContact O-N 2.69Å; E404-Y408 VanDerWaalsContact OE2-CE2 3.28Å; E404-Y408 WeakPolarHBondContact OE2-CE2 3.31Å; E404-Y408 PolarHBondContact OE2-OH 2.89Å; E404-T434 WeakPolarHBondContact OE2-CB 3.39Å; E404-T434 PolarHBondContact OE2-OG1 3.14Å; E404-L435 HydrophobicContact CB-CD1 4.3Å; E404-L435 HydrophobicContact CB-CG 4.4Å; E404-L435 HydrophobicContact CG-CD1 3.9Å; E404-L435 HydrophobicContact CG-CD2 3.54Å; E404-L435 HydrophobicContact CG-CG 3.61Å
405	L	94.7	Very high	94.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.3	-29.3	176.7	-65.1	-175.2	0	0	0	112.8	V158 G401 V402 R407 Y408 T409 R417 T421 W424 P429 T430	V158-L405 HydrophobicContact CB-CD2 4.5Å; V158-L405 HydrophobicContact CG1-CD2 3.91Å; V158-L405 HydrophobicContact CG2-CD2 3.99Å; G401-L405 PolarHBondContact O-N 3.5Å; V402-L405 PolarHBondContact O-N 2.73Å; L405-R407 PolarHBondContact O-N 2.9Å; L405-Y408 PolarHBondContact O-N 2.66Å; L405-T409 WeakPolarHBondContact O-CA 3.41Å; L405-T409 VanDerWaalsContact O-CB 3.32Å; L405-T409 WeakPolarHBondContact O-CB 3.16Å; L405-T409 PolarHBondContact O-N 2.9Å; L405-T409 PolarHBondContact O-OG1 2.77Å; L405-R417 HydrophobicContact CB-CB 4.25Å; L405-R417 HydrophobicContact CB-CG 3.98Å; L405-R417 HydrophobicContact CD1-CB 4.24Å; L405-T421 HydrophobicContact CD1-CG2 3.59Å; L405-W424 HydrophobicContact CD1-CZ3 3.85Å; L405-W424 HydrophobicContact CD2-CH2 4.24Å; L405-W424 HydrophobicContact CD2-CZ3 3.75Å; L405-W424 HydrophobicContact CG-CZ3 4.49Å; L405-P429 HydrophobicContact CD2-CG 4.2Å; L405-T430 HydrophobicContact CD2-CG2 4.33Å
406	Y	92.9	Very high	94.2	Very high	69 Å²	69	29.1 Å²	29.1	27%	0.271	14%	0.138	S	C	.	.	H	α-helix	trans	-61.4	-33.4	173.9	-178.9	-90.8	0	0	0	112.7	L121 N403 E404	L121-Y406 HydrophobicContact CB-CD1 3.36Å; L121-Y406 HydrophobicContact CB-CE1 3.52Å; L121-Y406 HydrophobicContact CB-CG 4.42Å; L121-Y406 HydrophobicContact CD1-CD1 3.75Å; L121-Y406 HydrophobicContact CD1-CE1 4.4Å; L121-Y406 HydrophobicContact CD1-CG 4.01Å; L121-Y406 HydrophobicContact CG-CD1 4.18Å; L121-Y406 WeakPolarHBondContact O-CE1 3.45Å; N403-Y406 WeakPolarHBondContact O-CB 3.29Å; N403-Y406 PolarHBondContact O-N 2.71Å; E404-Y406 PolarHBondContact O-N 3.27Å; E404-Y406 VanDerWaalsContact O-N 3.16Å
407	R	89.7	Confident	94.1	Very high	55 Å²	55	29.1 Å²	29.1	21%	0.208	14%	0.139	C	C	.	.	H	α-helix	trans	-74	-35.9	179.4	-58.1	179.9	176.2	174.2	-8.7	111.2	L121 V122 H123 L124 E404 L405	L121-R407 HydrophobicContact CD2-CG 4.46Å; V122-R407 WeakPolarHBondContact O-CG 3.46Å; H123-R407 PolarHBondContact ND1-O 3.37Å; L124-R407 HydrophobicContact CD1-CB 4.48Å; L124-R407 PolarHBondContact N-O 2.84Å; E404-R407 WeakPolarHBondContact O-CB 3.33Å; E404-R407 PolarHBondContact O-N 2.82Å; E404-R407 IonicContact OE1-CZ 2.8Å; E404-R407 IonicContact OE1-NE 2.93Å; E404-R407 IonicContact OE1-NH1 3.94Å; E404-R407 PolarHBondContact OE1-NH1 3.39Å; L405-R407 PolarHBondContact O-N 2.9Å
408	Y	92	Very high	94.1	Very high	11 Å²	11	28.7 Å²	28.7	4%	0.043	14%	0.136	C	C	.	.	H	α-helix	trans	-106.9	0.5	-169.8	-49.4	-67.3	0	0	0	115.2	K87 M89 L124 T125 E404 L405 T430 T434	K87-Y408 PolarHBondContact NZ-O 3.39Å; M89-Y408 HydrophobicContact CE-CD1 3.72Å; M89-Y408 HydrophobicContact SD-CD1 3.51Å; M89-Y408 VanDerWaalsContact SD-CD1 3.51Å; M89-Y408 HydrophobicContact SD-CE1 4.41Å; M89-Y408 HydrophobicContact SD-CG 4.26Å; L124-Y408 HydrophobicContact CD1-CE1 3.87Å; T125-Y408 WeakPolarHBondContact CG2-O 3.2Å; E404-Y408 HydrophobicContact CB-CD2 4.41Å; E404-Y408 HydrophobicContact CB-CE2 4.12Å; E404-Y408 WeakPolarHBondContact O-CD2 3.36Å; E404-Y408 WeakPolarHBondContact O-CE2 3.29Å; E404-Y408 PolarHBondContact O-N 2.69Å; E404-Y408 VanDerWaalsContact OE2-CE2 3.28Å; E404-Y408 WeakPolarHBondContact OE2-CE2 3.31Å; E404-Y408 PolarHBondContact OE2-OH 2.89Å; L405-Y408 PolarHBondContact O-N 2.66Å; Y408-T430 HydrophobicContact CD2-CG2 4.1Å; Y408-T434 HydrophobicContact CE1-CG2 3.95Å; Y408-T434 HydrophobicContact CE2-CG2 3.72Å; Y408-T434 WeakPolarHBondContact CE2-OG1 3.25Å; Y408-T434 VanDerWaalsContact OH-CB 3.25Å; Y408-T434 WeakPolarHBondContact OH-CB 3.43Å; Y408-T434 VanDerWaalsContact OH-CG2 3.32Å; Y408-T434 WeakPolarHBondContact OH-CG2 3.42Å
409	T	93.7	Very high	94.1	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	14%	0.136	C	C	.	.	S	Bend	trans	-136.8	158.6	176.8	71.7	0	0	0	0	111.5	H123 A155 N156 V158 L405 L411	H123-T409 VanDerWaalsContact CE1-C 3.46Å; H123-T409 PolarHBondContact CE1-O 3.19Å; H123-T409 PolarHBondContact NE2-O 3.22Å; A155-T409 VanDerWaalsContact O-CA 3.31Å; A155-T409 WeakPolarHBondContact O-CA 3.41Å; N156-T409 WeakPolarHBondContact O-CG2 3.44Å; V158-T409 HydrophobicContact CG1-CG2 3.29Å; L405-T409 WeakPolarHBondContact O-CA 3.41Å; L405-T409 VanDerWaalsContact O-CB 3.32Å; L405-T409 WeakPolarHBondContact O-CB 3.16Å; L405-T409 PolarHBondContact O-N 2.9Å; L405-T409 PolarHBondContact O-OG1 2.77Å; T409-L411 HydrophobicContact CG2-CD1 4.46Å; T409-L411 PolarHBondContact O-N 3.07Å; T409-L411 WeakPolarHBondContact OG1-CB 3.41Å; T409-L411 WeakPolarHBondContact OG1-CG 3.43Å; T409-L411 PolarHBondContact OG1-N 3.37Å
410	K	91.3	Very high	94.1	Very high	90 Å²	90	28.9 Å²	28.9	39%	0.391	14%	0.137	S	C	.	.	S	Bend	trans	-81.8	17.6	170.5	-63.4	-177	-180	-178.9	0	112.6	D127 A155 N156 E412	D127-K410 IonicContact OD1-NZ 2.78Å; D127-K410 PolarHBondContact OD1-NZ 2.88Å; A155-K410 HydrophobicContact CB-CD 3.69Å; A155-K410 HydrophobicContact CB-CG 3.87Å; N156-K410 WeakPolarHBondContact OD1-CA 3.26Å; N156-K410 WeakPolarHBondContact OD1-CB 3.35Å; N156-K410 PolarHBondContact OD1-N 3.14Å; K410-E412 PolarHBondContact O-N 2.93Å
411	L	91.7	Very high	94.2	Very high	23 Å²	23	27.8 Å²	27.8	12%	0.12	13%	0.132	C	C	.	.			trans	-82.2	102.9	178.4	-59.9	172.9	0	0	0	109.6	N156 T409 D416 R417 T420	N156-L411 HydrophobicContact CB-CD2 4.49Å; N156-L411 HydrophobicContact CB-CG 4.44Å; T409-L411 HydrophobicContact CG2-CD1 4.46Å; T409-L411 PolarHBondContact O-N 3.07Å; T409-L411 WeakPolarHBondContact OG1-CB 3.41Å; T409-L411 WeakPolarHBondContact OG1-CG 3.43Å; T409-L411 PolarHBondContact OG1-N 3.37Å; L411-D416 HydrophobicContact CD2-CB 4.48Å; L411-R417 HydrophobicContact CB-CG 3.55Å; L411-R417 HydrophobicContact CD1-CG 4.14Å; L411-R417 VanDerWaalsContact O-CD 3.31Å; L411-R417 WeakPolarHBondContact O-CD 3.43Å; L411-R417 PolarHBondContact O-NE 3.22Å; L411-T420 HydrophobicContact CD1-CG2 4.13Å; L411-T420 WeakPolarHBondContact CD1-OG1 3.22Å
412	E	89.5	Confident	94.3	Very high	149 Å²	149	27.6 Å²	27.6	70%	0.696	13%	0.129	S	C	*	.			trans	-72.6	-54	-177.1	-61.4	-177.7	169.4	0	0	111.3	K410 R417	K410-E412 PolarHBondContact O-N 2.93Å; E412-R417 PolarHBondContact O-NE 3.3Å; E412-R417 PolarHBondContact O-NH2 3.13Å
413	N	93.4	Very high	94.3	Very high	84 Å²	84	27.7 Å²	27.7	45%	0.449	13%	0.129	S	C	.	.	S	Bend	trans	-72	138.2	-174.4	-51	-51.9	0	0	0	112.2	C415 D416 R417 E474	N413-C415 PolarHBondContact O-N 3.39Å; N413-D416 HydrophobicContact CB-CB 4.3Å; N413-D416 WeakPolarHBondContact CB-OD2 3.41Å; N413-D416 PolarHBondContact ND2-OD2 3.39Å; N413-D416 PolarHBondContact O-N 2.9Å; N413-R417 PolarHBondContact O-N 3.45Å; N413-R417 VanDerWaalsContact O-N 3.16Å; N413-E474 WeakPolarHBondContact CA-OE1 2.85Å
414	A	95.6	Very high	94.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.9	-43.1	176.7	0	0	0	0	0	111.8	D416 R417 M418 Q472 E474 S501	A414-D416 VanDerWaalsContact C-N 3.26Å; A414-D416 PolarHBondContact O-N 2.64Å; A414-R417 PolarHBondContact O-N 2.99Å; A414-M418 WeakPolarHBondContact O-CB 3.36Å; A414-M418 VanDerWaalsContact O-CG 3.23Å; A414-M418 WeakPolarHBondContact O-CG 3.37Å; A414-M418 PolarHBondContact O-N 3.43Å; A414-Q472 HydrophobicContact CB-CB 4.46Å; A414-Q472 HydrophobicContact CB-CG 4.15Å; A414-Q472 VanDerWaalsContact CB-OE1 3.3Å; A414-E474 WeakPolarHBondContact CB-OE1 3.28Å; A414-E474 PolarHBondContact N-OE1 2.96Å; A414-S501 VanDerWaalsContact CB-OG 3.25Å; A414-S501 WeakPolarHBondContact CB-OG 3.45Å
415	C	96.7	Very high	94.7	Very high	6 Å²	6	25.8 Å²	25.8	4%	0.041	12%	0.12	C	C	.	.	H	α-helix	trans	-61.2	-34.1	176.4	-70.4	0	0	0	0	112.8	N413 M418 E419 R480 L499	N413-C415 PolarHBondContact O-N 3.39Å; C415-M418 PolarHBondContact O-N 3.04Å; C415-E419 WeakPolarHBondContact O-CB 3.49Å; C415-E419 PolarHBondContact O-N 3.25Å; C415-R480 HydrophobicContact CB-CG 3.97Å; C415-L499 WeakPolarHBondContact O-CD1 3.49Å
416	D	95.1	Very high	94.8	Very high	42 Å²	42	26 Å²	26	23%	0.225	12%	0.12	C	C	.	.	H	α-helix	trans	-68.9	-44.8	177.2	-62.6	-21.8	0	0	0	110.3	L411 N413 A414 M418 E419 T420 R480	L411-D416 HydrophobicContact CD2-CB 4.48Å; N413-D416 HydrophobicContact CB-CB 4.3Å; N413-D416 WeakPolarHBondContact CB-OD2 3.41Å; N413-D416 PolarHBondContact ND2-OD2 3.39Å; N413-D416 PolarHBondContact O-N 2.9Å; A414-D416 VanDerWaalsContact C-N 3.26Å; A414-D416 PolarHBondContact O-N 2.64Å; D416-M418 PolarHBondContact O-N 3.46Å; D416-E419 PolarHBondContact O-N 3.15Å; D416-T420 WeakPolarHBondContact O-CB 3.13Å; D416-T420 PolarHBondContact O-N 3.12Å; D416-T420 PolarHBondContact O-OG1 2.81Å; D416-R480 IonicContact OD1-CZ 3.58Å; D416-R480 IonicContact OD1-NE 3.19Å; D416-R480 PolarHBondContact OD1-NE 2.8Å; D416-R480 IonicContact OD1-NH2 3.04Å; D416-R480 PolarHBondContact OD1-NH2 2.88Å
417	R	96.6	Very high	95	Very high	1 Å²	1	22.9 Å²	22.9	0%	0.004	11%	0.108	C	C	.	.	H	α-helix	trans	-59.8	-43.4	173.3	-69.8	179.8	-81.8	144.5	-10.3	112.2	V402 L405 L411 E412 N413 A414 T420 T421	V402-R417 HydrophobicContact CG1-CB 3.7Å; V402-R417 WeakPolarHBondContact O-CD 3.37Å; V402-R417 PolarHBondContact O-NH1 3.31Å; L405-R417 HydrophobicContact CB-CB 4.25Å; L405-R417 HydrophobicContact CB-CG 3.98Å; L405-R417 HydrophobicContact CD1-CB 4.24Å; L411-R417 HydrophobicContact CB-CG 3.55Å; L411-R417 HydrophobicContact CD1-CG 4.14Å; L411-R417 VanDerWaalsContact O-CD 3.31Å; L411-R417 WeakPolarHBondContact O-CD 3.43Å; L411-R417 PolarHBondContact O-NE 3.22Å; E412-R417 PolarHBondContact O-NE 3.3Å; E412-R417 PolarHBondContact O-NH2 3.13Å; N413-R417 PolarHBondContact O-N 3.45Å; N413-R417 VanDerWaalsContact O-N 3.16Å; A414-R417 PolarHBondContact O-N 2.99Å; R417-T420 PolarHBondContact O-N 3.48Å; R417-T421 WeakPolarHBondContact O-CG2 3.36Å; R417-T421 PolarHBondContact O-N 3.25Å
418	M	98	Very high	95.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.3	-47.6	175.7	-70.9	170.2	74	0	0	111.8	V402 A414 C415 D416 T420 T421 L422 Y467 A469 L499	V402-M418 HydrophobicContact CG1-CG 3.98Å; V402-M418 HydrophobicContact CG2-CG 3.75Å; A414-M418 WeakPolarHBondContact O-CB 3.36Å; A414-M418 VanDerWaalsContact O-CG 3.23Å; A414-M418 WeakPolarHBondContact O-CG 3.37Å; A414-M418 PolarHBondContact O-N 3.43Å; C415-M418 PolarHBondContact O-N 3.04Å; D416-M418 PolarHBondContact O-N 3.46Å; M418-T420 VanDerWaalsContact C-N 3.31Å; M418-T420 PolarHBondContact O-N 3.4Å; M418-T421 PolarHBondContact O-N 3.03Å; M418-T421 PolarHBondContact O-OG1 3.05Å; M418-L422 PolarHBondContact O-N 2.73Å; M418-Y467 HydrophobicContact CB-CD1 4.13Å; M418-Y467 HydrophobicContact CB-CE1 3.77Å; M418-Y467 HydrophobicContact CE-CD1 3.79Å; M418-Y467 HydrophobicContact CE-CD2 4.07Å; M418-Y467 HydrophobicContact CE-CE1 4.06Å; M418-Y467 HydrophobicContact CE-CE2 4.28Å; M418-Y467 HydrophobicContact CE-CG 3.8Å; M418-Y467 WeakPolarHBondContact CE-O 3.25Å; M418-Y467 HydrophobicContact CG-CE1 4.05Å; M418-A469 HydrophobicContact CE-CB 3.78Å; M418-A469 HydrophobicContact CG-CB 4.09Å; M418-A469 HydrophobicContact SD-CB 3.7Å; M418-L499 HydrophobicContact CB-CD1 4.3Å; M418-L499 HydrophobicContact CB-CD2 4.32Å; M418-L499 HydrophobicContact CE-CB 4.14Å; M418-L499 HydrophobicContact CE-CD2 4.43Å
419	E	96.5	Very high	95.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.8	-44	176.7	-174.6	177.1	-113.9	0	0	111.4	C415 D416 T421 L422 L423 R480 A482 R483 L499	C415-E419 WeakPolarHBondContact O-CB 3.49Å; C415-E419 PolarHBondContact O-N 3.25Å; D416-E419 PolarHBondContact O-N 3.15Å; E419-T421 VanDerWaalsContact C-N 3.31Å; E419-T421 PolarHBondContact O-N 3.09Å; E419-L422 WeakPolarHBondContact O-CB 3.43Å; E419-L422 PolarHBondContact O-N 3.37Å; E419-L423 HydrophobicContact CG-CD1 3.94Å; E419-L423 HydrophobicContact CG-CG 4.31Å; E419-L423 WeakPolarHBondContact O-CG 3.47Å; E419-L423 PolarHBondContact O-N 2.81Å; E419-R480 VanDerWaalsContact CD-NH1 3.3Å; E419-R480 IonicContact OE1-CZ 2.99Å; E419-R480 IonicContact OE1-NH1 3.37Å; E419-R480 PolarHBondContact OE1-NH1 2.85Å; E419-R480 IonicContact OE1-NH2 2.81Å; E419-R480 IonicContact OE2-CZ 2.71Å; E419-R480 IonicContact OE2-NH1 2.72Å; E419-R480 PolarHBondContact OE2-NH1 3.09Å; E419-R480 IonicContact OE2-NH2 3.22Å; E419-R480 PolarHBondContact OE2-NH2 2.74Å; E419-A482 HydrophobicContact CG-CB 4.34Å; E419-A482 WeakPolarHBondContact OE1-CA 3.48Å; E419-R483 VanDerWaalsContact CD-NE 3.27Å; E419-R483 WeakPolarHBondContact OE1-CB 3.15Å; E419-R483 WeakPolarHBondContact OE1-CG 3.36Å; E419-R483 PolarHBondContact OE1-N 2.88Å; E419-R483 IonicContact OE1-NE 2.74Å; E419-R483 PolarHBondContact OE1-NE 2.79Å; E419-R483 IonicContact OE2-CZ 2.74Å; E419-R483 IonicContact OE2-NE 3.39Å; E419-R483 PolarHBondContact OE2-NE 3.45Å; E419-R483 IonicContact OE2-NH2 3.63Å; E419-R483 PolarHBondContact OE2-NH2 3.39Å; E419-L499 HydrophobicContact CB-CD1 3.68Å; E419-L499 HydrophobicContact CG-CD1 4.45Å
420	T	96	Very high	95.6	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.018	10%	0.097	C	C	.	.	H	α-helix	trans	-59.1	-40.1	177.3	-61.4	0	0	0	0	111.9	L411 D416 R417 M418 L422 L423 W424 W486	L411-T420 HydrophobicContact CD1-CG2 4.13Å; L411-T420 WeakPolarHBondContact CD1-OG1 3.22Å; D416-T420 WeakPolarHBondContact O-CB 3.13Å; D416-T420 PolarHBondContact O-N 3.12Å; D416-T420 PolarHBondContact O-OG1 2.81Å; R417-T420 PolarHBondContact O-N 3.48Å; M418-T420 VanDerWaalsContact C-N 3.31Å; M418-T420 PolarHBondContact O-N 3.4Å; T420-L422 VanDerWaalsContact C-N 3.31Å; T420-L422 PolarHBondContact O-N 2.84Å; T420-L423 PolarHBondContact O-N 3.38Å; T420-W424 HydrophobicContact CG2-CD2 3.55Å; T420-W424 HydrophobicContact CG2-CE3 3.68Å; T420-W424 HydrophobicContact CG2-CG 4.37Å; T420-W424 HydrophobicContact CG2-CH2 3.33Å; T420-W424 HydrophobicContact CG2-CZ2 3.17Å; T420-W424 HydrophobicContact CG2-CZ3 3.57Å; T420-W424 WeakPolarHBondContact O-CB 3.42Å; T420-W424 VanDerWaalsContact O-CG 3.26Å; T420-W424 PolarHBondContact O-N 2.99Å; T420-W486 HydrophobicContact CG2-CH2 4.2Å; T420-W486 HydrophobicContact CG2-CZ3 4.13Å
421	T	97.7	Very high	95.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62	-36.4	173.7	61.7	0	0	0	0	113.2	L405 R417 M418 E419 G425 H426	L405-T421 HydrophobicContact CD1-CG2 3.59Å; R417-T421 WeakPolarHBondContact O-CG2 3.36Å; R417-T421 PolarHBondContact O-N 3.25Å; M418-T421 PolarHBondContact O-N 3.03Å; M418-T421 PolarHBondContact O-OG1 3.05Å; E419-T421 VanDerWaalsContact C-N 3.31Å; E419-T421 PolarHBondContact O-N 3.09Å; T421-G425 PolarHBondContact O-N 3.16Å; T421-H426 VanDerWaalsContact CB-O 3.29Å; T421-H426 WeakPolarHBondContact CB-O 3.44Å; T421-H426 CarbonylContact O-C 3.53Å; T421-H426 PolarHBondContact O-N 3.39Å; T421-H426 VanDerWaalsContact O-O 3.13Å
422	L	97.2	Very high	95.7	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.016	8%	0.079	C	C	.	.	H	α-helix	trans	-69	-46.4	174.8	-66.8	-178	0	0	0	111	P187 M418 E419 T420 W424 G425 L448 Y463 P464 Y467 A482 C497 L499	P187-L422 WeakPolarHBondContact CD-O 3.45Å; P187-L422 WeakPolarHBondContact CG-O 3.28Å; M418-L422 PolarHBondContact O-N 2.73Å; E419-L422 WeakPolarHBondContact O-CB 3.43Å; E419-L422 PolarHBondContact O-N 3.37Å; T420-L422 VanDerWaalsContact C-N 3.31Å; T420-L422 PolarHBondContact O-N 2.84Å; L422-W424 VanDerWaalsContact C-N 3.31Å; L422-W424 PolarHBondContact O-N 3.19Å; L422-G425 WeakPolarHBondContact O-CA 3.29Å; L422-G425 PolarHBondContact O-N 2.74Å; L422-L448 HydrophobicContact CD2-CD1 4.13Å; L422-Y463 HydrophobicContact CD1-CE2 4.46Å; L422-P464 HydrophobicContact CD2-CG 4.39Å; L422-Y467 HydrophobicContact CD1-CD1 4.17Å; L422-Y467 HydrophobicContact CD2-CD1 4.21Å; L422-Y467 HydrophobicContact CG-CD1 4.1Å; L422-Y467 HydrophobicContact CG-CE1 4.45Å; L422-A482 HydrophobicContact CD1-CB 4.26Å; L422-C497 HydrophobicContact CD1-CB 3.86Å; L422-L499 HydrophobicContact CD1-CD2 3.76Å
423	L	95.6	Very high	95.6	Very high	3 Å²	3	11.2 Å²	11.2	2%	0.016	6%	0.062	C	C	.	.	H	α-helix	trans	-62.4	-37.5	180	-68.1	171.8	0	0	0	112.3	F184 E186 E419 T420 G425 W486	F184-L423 WeakPolarHBondContact CB-O 3.31Å; E186-L423 WeakPolarHBondContact CA-O 3.37Å; E186-L423 PolarHBondContact N-O 2.81Å; E419-L423 HydrophobicContact CG-CD1 3.94Å; E419-L423 HydrophobicContact CG-CG 4.31Å; E419-L423 WeakPolarHBondContact O-CG 3.47Å; E419-L423 PolarHBondContact O-N 2.81Å; T420-L423 PolarHBondContact O-N 3.38Å; L423-G425 PolarHBondContact O-N 3.04Å; L423-W486 HydrophobicContact CB-CE3 4.06Å; L423-W486 HydrophobicContact CB-CZ3 4.3Å; L423-W486 HydrophobicContact CD1-CD2 4.25Å; L423-W486 HydrophobicContact CD1-CE3 3.43Å; L423-W486 VanDerWaalsContact CD1-CE3 3.43Å; L423-W486 HydrophobicContact CD1-CZ3 3.87Å; L423-W486 HydrophobicContact CG-CE3 4.33Å
424	W	97.2	Very high	95.2	Very high	2 Å²	2	8.9 Å²	8.9	1%	0.008	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-14.6	172.2	-67.4	-19.3	0	0	0	113.9	N156 L157 V158 V161 F184 L405 T420 L422 H426 P429	N156-W424 WeakPolarHBondContact O-CZ2 3.31Å; L157-W424 HydrophobicContact CD2-CZ2 4.48Å; V158-W424 HydrophobicContact CB-CH2 4.41Å; V158-W424 HydrophobicContact CG1-CH2 4.13Å; V158-W424 HydrophobicContact CG2-CE3 4.43Å; V158-W424 HydrophobicContact CG2-CH2 3.55Å; V158-W424 HydrophobicContact CG2-CZ2 4.41Å; V158-W424 HydrophobicContact CG2-CZ3 3.57Å; V161-W424 HydrophobicContact CB-CD2 4.48Å; V161-W424 HydrophobicContact CG1-CB 4.04Å; V161-W424 HydrophobicContact CG1-CD2 4.1Å; V161-W424 HydrophobicContact CG1-CG 3.69Å; V161-W424 HydrophobicContact CG2-CB 4.44Å; V161-W424 HydrophobicContact CG2-CD2 3.51Å; V161-W424 HydrophobicContact CG2-CE3 3.62Å; V161-W424 HydrophobicContact CG2-CG 3.94Å; V161-W424 HydrophobicContact CG2-CH2 4.32Å; V161-W424 HydrophobicContact CG2-CZ2 4.24Å; V161-W424 HydrophobicContact CG2-CZ3 4.03Å; F184-W424 AromaticContact CD1-CD1 3.26Å; F184-W424 HydrophobicContact CD1-CG 4.3Å; F184-W424 AromaticContact CD1-NE1 3.74Å; F184-W424 AromaticContact CE1-CD1 3.58Å; F184-W424 AromaticContact CE1-NE1 3.53Å; F184-W424 AromaticContact CG-CD1 3.79Å; L405-W424 HydrophobicContact CD1-CZ3 3.85Å; L405-W424 HydrophobicContact CD2-CH2 4.24Å; L405-W424 HydrophobicContact CD2-CZ3 3.75Å; L405-W424 HydrophobicContact CG-CZ3 4.49Å; T420-W424 HydrophobicContact CG2-CD2 3.55Å; T420-W424 HydrophobicContact CG2-CE3 3.68Å; T420-W424 HydrophobicContact CG2-CG 4.37Å; T420-W424 HydrophobicContact CG2-CH2 3.33Å; T420-W424 HydrophobicContact CG2-CZ2 3.17Å; T420-W424 HydrophobicContact CG2-CZ3 3.57Å; T420-W424 WeakPolarHBondContact O-CB 3.42Å; T420-W424 VanDerWaalsContact O-CG 3.26Å; T420-W424 PolarHBondContact O-N 2.99Å; L422-W424 VanDerWaalsContact C-N 3.31Å; L422-W424 PolarHBondContact O-N 3.19Å; W424-H426 VanDerWaalsContact C-N 3.28Å; W424-H426 PolarHBondContact O-N 2.74Å; W424-P429 HydrophobicContact CE3-CB 4.48Å; W424-P429 HydrophobicContact CE3-CG 3.66Å; W424-P429 HydrophobicContact CZ3-CG 3.67Å
425	G	97.1	Very high	94.9	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	24.6	-174.1	0	0	0	0	0	113.7	T421 L422 L423 L447 L448	T421-G425 PolarHBondContact O-N 3.16Å; L422-G425 WeakPolarHBondContact O-CA 3.29Å; L422-G425 PolarHBondContact O-N 2.74Å; L423-G425 PolarHBondContact O-N 3.04Å; G425-L447 WeakPolarHBondContact O-CD1 3.38Å; G425-L448 PolarHBondContact O-N 3.23Å
426	H	97.9	Very high	94.6	Very high	3 Å²	3	11.3 Å²	11.3	1%	0.014	7%	0.071	C	C	.	.	B	Isolated β-bridge	trans	-145.7	123.9	-174.7	-163.9	-68.1	0	0	0	112.5	R37 T421 W424 A428 P429 D444 L446 L447	R37-H426 PolarHBondContact NE-CD2 2.91Å; R37-H426 PolarHBondContact NE-NE2 2.79Å; R37-H426 VanDerWaalsContact NE-NE2 3.16Å; R37-H426 PolarHBondContact NH2-CE1 3.21Å; R37-H426 PolarHBondContact NH2-NE2 3.19Å; T421-H426 VanDerWaalsContact CB-O 3.29Å; T421-H426 WeakPolarHBondContact CB-O 3.44Å; T421-H426 CarbonylContact O-C 3.53Å; T421-H426 PolarHBondContact O-N 3.39Å; T421-H426 VanDerWaalsContact O-O 3.13Å; W424-H426 VanDerWaalsContact C-N 3.28Å; W424-H426 PolarHBondContact O-N 2.74Å; H426-A428 PolarHBondContact CE1-O 3.34Å; H426-A428 PolarHBondContact ND1-N 3.23Å; H426-A428 VanDerWaalsContact ND1-N 3.15Å; H426-A428 PolarHBondContact ND1-O 2.92Å; H426-A428 PolarHBondContact O-N 2.84Å; H426-P429 HydrophobicContact CB-CB 4.49Å; H426-P429 VanDerWaalsContact ND1-CA 3.31Å; H426-P429 WeakPolarHBondContact ND1-CA 3.16Å; H426-D444 IonicContact CD2-OD2 3.75Å; H426-D444 IonicContact NE2-OD1 3.76Å; H426-D444 IonicContact NE2-OD2 3.75Å; H426-D444 PolarHBondContact NE2-OD2 3.2Å; H426-L446 VanDerWaalsContact CE1-CB 3.44Å; H426-L446 WeakPolarHBondContact CE1-CB 3.05Å; H426-L447 HydrophobicContact CB-CD1 4.49Å
427	L	97.5	Very high	94.4	Very high	4 Å²	4	9.4 Å²	9.4	2%	0.021	6%	0.061	C	C	.	.	S	Bend	trans	-72	-29.4	-171.5	-61.2	-176.9	0	0	0	114.7	F17 P384 L395 L446 L448	F17-L427 HydrophobicContact CE1-CD1 4.13Å; F17-L427 HydrophobicContact CZ-CD1 3.76Å; P384-L427 HydrophobicContact CB-CD1 4.13Å; P384-L427 HydrophobicContact CG-CD1 3.89Å; L395-L427 HydrophobicContact CD1-CD1 4.07Å; L395-L427 HydrophobicContact CD2-CD1 4.04Å; L395-L427 HydrophobicContact CD2-CD2 3.54Å; L395-L427 HydrophobicContact CD2-CG 4.46Å; L427-L446 PolarHBondContact N-O 2.93Å; L427-L448 HydrophobicContact CD2-CD2 4.16Å; L427-L448 HydrophobicContact CG-CD2 4.3Å
428	A	96.7	Very high	94.1	Very high	2 Å²	2	10.2 Å²	10.2	2%	0.017	6%	0.064	C	C	.	.			trans	-149.4	77.8	174.3	0	0	0	0	0	111	H426 T430 C431 L435 L446	H426-A428 PolarHBondContact CE1-O 3.34Å; H426-A428 PolarHBondContact ND1-N 3.23Å; H426-A428 VanDerWaalsContact ND1-N 3.15Å; H426-A428 PolarHBondContact ND1-O 2.92Å; H426-A428 PolarHBondContact O-N 2.84Å; A428-T430 PolarHBondContact O-N 3.03Å; A428-C431 HydrophobicContact CB-CB 4.31Å; A428-C431 VanDerWaalsContact O-CB 3.25Å; A428-C431 WeakPolarHBondContact O-CB 3.44Å; A428-C431 PolarHBondContact O-N 2.82Å; A428-L435 HydrophobicContact CB-CD1 3.99Å; A428-L446 HydrophobicContact CB-CD1 4.25Å
429	P	96.2	Very high	93.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-29.5	-170.7	25.5	-36.7	0	0	0	113.6	R37 V158 T159 V161 L405 W424 H426 C431	R37-P429 PolarHBondContact NH1-O 2.94Å; V158-P429 HydrophobicContact CG2-CB 4.15Å; V158-P429 HydrophobicContact CG2-CG 3.69Å; T159-P429 CarbonylContact O-C 3.16Å; V161-P429 HydrophobicContact CG2-CB 3.62Å; V161-P429 HydrophobicContact CG2-CG 4.04Å; L405-P429 HydrophobicContact CD2-CG 4.2Å; W424-P429 HydrophobicContact CE3-CB 4.48Å; W424-P429 HydrophobicContact CE3-CG 3.66Å; W424-P429 HydrophobicContact CZ3-CG 3.67Å; H426-P429 HydrophobicContact CB-CB 4.49Å; H426-P429 VanDerWaalsContact ND1-CA 3.31Å; H426-P429 WeakPolarHBondContact ND1-CA 3.16Å; P429-C431 PolarHBondContact O-N 3.35Å
430	T	93.3	Very high	93.2	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.006	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-2.9	177.4	64.8	0	0	0	0	113.6	V158 L405 Y408 A428 D433 T434	V158-T430 HydrophobicContact CB-CG2 4.03Å; V158-T430 HydrophobicContact CG2-CG2 4.05Å; L405-T430 HydrophobicContact CD2-CG2 4.33Å; Y408-T430 HydrophobicContact CD2-CG2 4.1Å; A428-T430 PolarHBondContact O-N 3.03Å; T430-D433 WeakPolarHBondContact O-CA 3.45Å; T430-D433 WeakPolarHBondContact O-CB 3.4Å; T430-D433 PolarHBondContact O-N 3.04Å; T430-T434 VanDerWaalsContact CB-OG1 3.26Å; T430-T434 WeakPolarHBondContact CB-OG1 3.45Å; T430-T434 PolarHBondContact O-N 3.07Å; T430-T434 PolarHBondContact OG1-OG1 2.75Å; T430-T434 VanDerWaalsContact OG1-OG1 3.12Å
431	C	93.9	Very high	92.6	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.007	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	129.1	168.5	179.8	0	0	0	0	109.4	R37 A428 P429 L435 G437 L446	R37-C431 PolarHBondContact NH2-O 2.81Å; A428-C431 HydrophobicContact CB-CB 4.31Å; A428-C431 VanDerWaalsContact O-CB 3.25Å; A428-C431 WeakPolarHBondContact O-CB 3.44Å; A428-C431 PolarHBondContact O-N 2.82Å; P429-C431 PolarHBondContact O-N 3.35Å; C431-L435 HydrophobicContact CB-CB 4Å; C431-G437 VanDerWaalsContact SG-CA 3.57Å; C431-L446 HydrophobicContact CB-CD1 4.02Å
432	P	91.6	Very high	92	Very high	20 Å²	20	20.2 Å²	20.2	13%	0.13	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	cis	-99.1	13.1	7.7	40.7	-40.8	0	0	0	115.8	Y30 I33 Y34 L435	Y30-P432 HydrophobicContact CD1-CB 3.72Å; Y30-P432 HydrophobicContact CD1-CG 3.6Å; Y30-P432 HydrophobicContact CE1-CB 4.01Å; Y30-P432 HydrophobicContact CE1-CG 4.38Å; Y30-P432 HydrophobicContact CG-CB 4.49Å; Y30-P432 HydrophobicContact CG-CG 4.12Å; I33-P432 VanDerWaalsContact CG2-CD 3.49Å; I33-P432 HydrophobicContact CG2-CG 3.77Å; Y34-P432 HydrophobicContact CE2-CG 4.41Å; P432-L435 CarbonylContact C-O 3.52Å; P432-L435 VanDerWaalsContact C-O 3.28Å; P432-L435 WeakPolarHBondContact CA-O 3.49Å
433	D	88.3	Confident	91.7	Very high	61 Å²	61	24.3 Å²	24.3	33%	0.326	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-56.2	-178.4	176.7	32.3	0	0	0	112.3	Y34 K92 T159 T430	Y34-D433 WeakPolarHBondContact OH-CB 3.5Å; Y34-D433 PolarHBondContact OH-N 3.24Å; K92-D433 IonicContact NZ-OD1 3.53Å; K92-D433 PolarHBondContact NZ-OD1 2.82Å; K92-D433 IonicContact NZ-OD2 3.56Å; K92-D433 PolarHBondContact NZ-OD2 3.38Å; T159-D433 HydrophobicContact CG2-CB 4.48Å; T430-D433 WeakPolarHBondContact O-CA 3.45Å; T430-D433 WeakPolarHBondContact O-CB 3.4Å; T430-D433 PolarHBondContact O-N 3.04Å
434	T	85.3	Confident	91.6	Very high	35 Å²	35	24.6 Å²	24.6	22%	0.215	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-29.6	-175.3	75.1	0	0	0	0	112.6	E404 Y408 T430	E404-T434 WeakPolarHBondContact OE2-CB 3.39Å; E404-T434 PolarHBondContact OE2-OG1 3.14Å; Y408-T434 HydrophobicContact CE1-CG2 3.95Å; Y408-T434 HydrophobicContact CE2-CG2 3.72Å; Y408-T434 WeakPolarHBondContact CE2-OG1 3.25Å; Y408-T434 VanDerWaalsContact OH-CB 3.25Å; Y408-T434 WeakPolarHBondContact OH-CB 3.43Å; Y408-T434 VanDerWaalsContact OH-CG2 3.32Å; Y408-T434 WeakPolarHBondContact OH-CG2 3.42Å; T430-T434 VanDerWaalsContact CB-OG1 3.26Å; T430-T434 WeakPolarHBondContact CB-OG1 3.45Å; T430-T434 PolarHBondContact O-N 3.07Å; T430-T434 PolarHBondContact OG1-OG1 2.75Å; T430-T434 VanDerWaalsContact OG1-OG1 3.12Å
435	L	89.1	Confident	91.5	Very high	22 Å²	22	25 Å²	25	12%	0.115	15%	0.146	C	C	.	.	S	Bend	trans	-96.6	131.5	169.4	-74.6	172.2	0	0	0	109.8	Q400 E404 A428 C431 P432 G437	Q400-L435 HydrophobicContact CB-CD2 4.14Å; E404-L435 HydrophobicContact CB-CD1 4.3Å; E404-L435 HydrophobicContact CB-CG 4.4Å; E404-L435 HydrophobicContact CG-CD1 3.9Å; E404-L435 HydrophobicContact CG-CD2 3.54Å; E404-L435 HydrophobicContact CG-CG 3.61Å; A428-L435 HydrophobicContact CB-CD1 3.99Å; C431-L435 HydrophobicContact CB-CB 4Å; P432-L435 CarbonylContact C-O 3.52Å; P432-L435 VanDerWaalsContact C-O 3.28Å; P432-L435 WeakPolarHBondContact CA-O 3.49Å; L435-G437 PolarHBondContact O-N 3.46Å
436	G	89	Confident	91.4	Very high	35 Å²	35	25.1 Å²	25.1	36%	0.361	15%	0.147	S	C	.	.			trans	-60.6	129.9	172.5	0	0	0	0	0	110.9	L352 M353	L352-G436 CarbonylContact C-O 3.46Å; L352-G436 WeakPolarHBondContact CA-O 3.13Å; M353-G436 PolarHBondContact N-O 2.79Å
437	G	91.1	Very high	91.4	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.01	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-129.7	163.8	177	0	0	0	0	0	112.1	Y30 M353 C431 L435	Y30-G437 WeakPolarHBondContact CE1-O 3.43Å; Y30-G437 PolarHBondContact OH-O 3.45Å; M353-G437 WeakPolarHBondContact O-CA 3.27Å; C431-G437 VanDerWaalsContact SG-CA 3.57Å; L435-G437 PolarHBondContact O-N 3.46Å
438	Y	91	Very high	91.3	Very high	18 Å²	18	25.9 Å²	25.9	7%	0.071	15%	0.151	C	C	.	.			trans	-73.3	138	171.5	-70.2	-89	0	0	0	111	V19 F24 L352 M353 P354 M440	V19-Y438 HydrophobicContact CB-CD2 4.44Å; V19-Y438 HydrophobicContact CB-CE2 4.35Å; V19-Y438 HydrophobicContact CG1-CD1 3.86Å; V19-Y438 HydrophobicContact CG1-CD2 4.21Å; V19-Y438 HydrophobicContact CG1-CE1 4.02Å; V19-Y438 HydrophobicContact CG1-CE2 4.39Å; V19-Y438 HydrophobicContact CG1-CG 3.96Å; V19-Y438 HydrophobicContact CG2-CD2 3.81Å; V19-Y438 HydrophobicContact CG2-CE2 3.95Å; V19-Y438 HydrophobicContact CG2-CG 4.31Å; F24-Y438 HydrophobicContact CB-CD1 4.34Å; F24-Y438 AromaticContact CD1-CD1 3.82Å; F24-Y438 HydrophobicContact CD1-CD1 3.82Å; F24-Y438 HydrophobicContact CD1-CE1 4.3Å; F24-Y438 HydrophobicContact CD2-CD1 4.04Å; F24-Y438 HydrophobicContact CE1-CD1 4.08Å; F24-Y438 HydrophobicContact CE1-CE1 4.09Å; F24-Y438 HydrophobicContact CE2-CD1 4.31Å; F24-Y438 HydrophobicContact CE2-CE1 4.48Å; F24-Y438 AromaticContact CG-CD1 3.8Å; F24-Y438 HydrophobicContact CG-CD1 3.8Å; F24-Y438 HydrophobicContact CZ-CD1 4.32Å; F24-Y438 HydrophobicContact CZ-CE1 4.19Å; L352-Y438 HydrophobicContact CB-CD2 3.92Å; L352-Y438 HydrophobicContact CB-CE1 4.32Å; L352-Y438 HydrophobicContact CB-CE2 3.56Å; L352-Y438 HydrophobicContact CB-CG 4.42Å; L352-Y438 HydrophobicContact CD1-CD1 4.02Å; L352-Y438 HydrophobicContact CD1-CE1 3.82Å; M353-Y438 WeakPolarHBondContact O-CD2 3.44Å; M353-Y438 PolarHBondContact O-N 2.88Å; P354-Y438 WeakPolarHBondContact O-CE2 3.11Å; Y438-M440 VanDerWaalsContact C-N 3.29Å; Y438-M440 PolarHBondContact O-N 2.86Å
439	P	89.9	Confident	91.2	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.013	17%	0.174	C	C	.	.			trans	-74.2	81.6	174.9	29.2	-34	0	0	0	110.8	F24 S25 F26 Y30	F24-P439 HydrophobicContact CB-CG 4.44Å; S25-P439 VanDerWaalsContact O-CG 3.22Å; S25-P439 WeakPolarHBondContact O-CG 3.4Å; F26-P439 HydrophobicContact CD1-CG 3.82Å; F26-P439 HydrophobicContact CE1-CG 4.18Å; F26-P439 HydrophobicContact CG-CG 4.41Å; Y30-P439 HydrophobicContact CD1-CB 4.2Å; Y30-P439 HydrophobicContact CE1-CB 3.87Å; Y30-P439 HydrophobicContact CE1-CG 4.45Å
440	M	86.6	Confident	91	Very high	26 Å²	26	33.9 Å²	33.9	13%	0.128	19%	0.186	C	C	.	.			trans	-96.6	146.5	179	-60.8	179.5	70	0	0	110.7	Y438 P445	Y438-M440 VanDerWaalsContact C-N 3.29Å; Y438-M440 PolarHBondContact O-N 2.86Å; M440-P445 HydrophobicContact CE-CG 4.24Å; M440-P445 HydrophobicContact SD-CG 3.81Å
441	I	82.4	Confident	90.8	Very high	53 Å²	53	36.8 Å²	36.8	27%	0.272	21%	0.207	S	C	.	.	S	Bend	trans	-109.8	-31.5	-171.4	54.5	163.9	0	0	0	115	Q32	Q32-I441 HydrophobicContact CB-CB 4.35Å; Q32-I441 HydrophobicContact CB-CG2 3.92Å; Q32-I441 HydrophobicContact CG-CG2 4.21Å
442	N	85.6	Confident	90.2	Very high	133 Å²	133	38.2 Å²	38.2	71%	0.711	22%	0.216	S	C	*	.	S	Bend	trans	-108.4	-23.8	-167.5	-66.4	-18	0	0	0	112.8
443	V	90.2	Very high	89.6	Confident	89 Å²	89	41 Å²	41	54%	0.539	23%	0.233	S	C	.	.			trans	-147.8	129.8	-171	178.7	0	0	0	0	107.9	P445	V443-P445 WeakPolarHBondContact O-CD 3.38Å
444	D	94.1	Very high	89	Confident	9 Å²	9	42.5 Å²	42.5	5%	0.048	25%	0.248	C	C	.	.			trans	-89.8	108.3	161.6	-171.3	-23.7	0	0	0	108.4	I33 R37 H426 L446 L447	I33-D444 HydrophobicContact CG1-CB 4.33Å; R37-D444 HydrophobicContact CB-CB 4.47Å; R37-D444 IonicContact CZ-OD2 2.71Å; R37-D444 VanDerWaalsContact CZ-OD2 3.22Å; R37-D444 IonicContact NE-OD2 3.79Å; R37-D444 PolarHBondContact NE-OD2 3.32Å; R37-D444 IonicContact NH2-OD2 3.99Å; R37-D444 PolarHBondContact NH2-OD2 3.48Å; H426-D444 IonicContact CD2-OD2 3.75Å; H426-D444 IonicContact NE2-OD1 3.76Å; H426-D444 IonicContact NE2-OD2 3.75Å; H426-D444 PolarHBondContact NE2-OD2 3.2Å; D444-L446 PolarHBondContact O-N 2.85Å; D444-L446 WeakPolarHBondContact OD1-CB 3.15Å; D444-L446 PolarHBondContact OD1-N 3.4Å; D444-L447 HydrophobicContact CB-CB 4.28Å; D444-L447 PolarHBondContact O-N 3.37Å
445	P	93.6	Very high	88.5	Confident	9 Å²	9	42.7 Å²	42.7	6%	0.058	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-16	-178.1	29	-35.2	0	0	0	112.6	R16 F17 P354 M440 V443	R16-P445 PolarHBondContact NE-O 3.13Å; R16-P445 PolarHBondContact NH2-O 3.43Å; F17-P445 HydrophobicContact CD1-CB 4.45Å; F17-P445 VanDerWaalsContact CE1-O 3.26Å; F17-P445 WeakPolarHBondContact CE1-O 3.43Å; P354-P445 HydrophobicContact CG-CB 4.12Å; P354-P445 HydrophobicContact CG-CG 3.66Å; M440-P445 HydrophobicContact CE-CG 4.24Å; M440-P445 HydrophobicContact SD-CG 3.81Å; V443-P445 WeakPolarHBondContact O-CD 3.38Å
446	L	96.3	Very high	88.1	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.016	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-10.6	-177.2	-59.7	170.6	0	0	0	113.1	F17 M353 P354 P384 H426 L427 A428 C431 D444	F17-L446 HydrophobicContact CD1-CD2 4.42Å; F17-L446 HydrophobicContact CE1-CD2 4.18Å; M353-L446 HydrophobicContact CB-CD1 4.24Å; P354-L446 HydrophobicContact CG-CD2 4.2Å; P384-L446 HydrophobicContact CG-CD2 3.92Å; H426-L446 VanDerWaalsContact CE1-CB 3.44Å; H426-L446 WeakPolarHBondContact CE1-CB 3.05Å; L427-L446 PolarHBondContact N-O 2.93Å; A428-L446 HydrophobicContact CB-CD1 4.25Å; C431-L446 HydrophobicContact CB-CD1 4.02Å; D444-L446 PolarHBondContact O-N 2.85Å; D444-L446 WeakPolarHBondContact OD1-CB 3.15Å; D444-L446 PolarHBondContact OD1-N 3.4Å
447	L	96.6	Very high	87.9	Confident	17 Å²	17	47.8 Å²	47.8	9%	0.089	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-79.2	125.4	173.3	-175	75.8	0	0	0	111.2	R16 R37 A40 L185 G425 H426 D444 R449	R16-L447 PolarHBondContact NH2-O 2.91Å; R37-L447 HydrophobicContact CG-CD1 4.17Å; A40-L447 HydrophobicContact CB-CD2 3.53Å; L185-L447 HydrophobicContact CD1-CD1 3.73Å; G425-L447 WeakPolarHBondContact O-CD1 3.38Å; H426-L447 HydrophobicContact CB-CD1 4.49Å; D444-L447 HydrophobicContact CB-CB 4.28Å; D444-L447 PolarHBondContact O-N 3.37Å; L447-R449 PolarHBondContact O-N 3.27Å
448	L	96.4	Very high	88	Confident	6 Å²	6	48 Å²	48	3%	0.031	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-66.8	123	175.5	-61.3	-175.7	0	0	0	110	P187 L422 G425 L427 D462	P187-L448 HydrophobicContact CB-CD1 4.41Å; P187-L448 HydrophobicContact CG-CB 4.46Å; P187-L448 HydrophobicContact CG-CD1 3.71Å; L422-L448 HydrophobicContact CD2-CD1 4.13Å; G425-L448 PolarHBondContact O-N 3.23Å; L427-L448 HydrophobicContact CD2-CD2 4.16Å; L427-L448 HydrophobicContact CG-CD2 4.3Å; L448-D462 HydrophobicContact CB-CB 4.39Å; L448-D462 HydrophobicContact CD2-CB 3.74Å
449	R	94.2	Very high	88.2	Confident	133 Å²	133	50.1 Å²	50.1	50%	0.502	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-70.8	146.3	-177	-63.2	172.2	-67.8	164.2	1.5	110.3	L447 S460 P461 D462	L447-R449 PolarHBondContact O-N 3.27Å; R449-S460 WeakPolarHBondContact O-CA 3.43Å; R449-S460 WeakPolarHBondContact O-CB 3.36Å; R449-S460 PolarHBondContact O-OG 3.38Å; R449-P461 WeakPolarHBondContact O-CD 3.4Å; R449-D462 WeakPolarHBondContact CB-OD2 3.25Å; R449-D462 VanDerWaalsContact CG-OD2 3.25Å; R449-D462 WeakPolarHBondContact CG-OD2 3.18Å; R449-D462 IonicContact CZ-OD1 2.84Å; R449-D462 IonicContact CZ-OD2 2.81Å; R449-D462 PolarHBondContact N-OD2 2.71Å; R449-D462 IonicContact NE-OD1 3.67Å; R449-D462 PolarHBondContact NE-OD1 3.39Å; R449-D462 IonicContact NE-OD2 3.05Å; R449-D462 PolarHBondContact NE-OD2 3.49Å; R449-D462 IonicContact NH2-OD1 3.67Å; R449-D462 PolarHBondContact NH2-OD1 2.88Å; R449-D462 IonicContact NH2-OD2 3.87Å
450	S	92.5	Very high	88.4	Confident	38 Å²	38	50.1 Å²	50.1	27%	0.266	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-91.2	138.9	168.7	-173.8	0	0	0	0	110	S452 N458	S450-S452 PolarHBondContact OG-N 3.13Å; S450-S452 PolarHBondContact OG-O 2.8Å; S450-S452 VanDerWaalsContact OG-O 3.12Å; S450-N458 WeakPolarHBondContact CB-OD1 3.37Å; S450-N458 PolarHBondContact OG-OD1 3Å
451	S	88.6	Confident	88.7	Confident	62 Å²	62	51.6 Å²	51.6	43%	0.434	30%	0.301	S	S	.	.	S	Bend	trans	-84.2	-22.3	172.7	55.2	0	0	0	0	113.2	E190 F459	E190-S451 WeakPolarHBondContact OE1-CB 3.39Å; E190-S451 PolarHBondContact OE1-OG 2.82Å; S451-F459 PolarHBondContact N-O 2.83Å; S451-F459 WeakPolarHBondContact OG-CB 3.21Å; S451-F459 PolarHBondContact OG-O 3.43Å; S451-F459 VanDerWaalsContact OG-O 3.06Å
452	S	82.2	Confident	89.3	Confident	30 Å²	30	49.5 Å²	49.5	21%	0.21	29%	0.29	C	S	.	.			trans	-149.8	127.5	-178.7	176.5	0	0	0	0	111.5	S450 S454 S455	S450-S452 PolarHBondContact OG-N 3.13Å; S450-S452 PolarHBondContact OG-O 2.8Å; S450-S452 VanDerWaalsContact OG-O 3.12Å; S452-S454 PolarHBondContact OG-N 2.89Å; S452-S454 PolarHBondContact OG-OG 2.97Å; S452-S455 WeakPolarHBondContact CB-OG 3.45Å; S452-S455 PolarHBondContact OG-N 2.8Å; S452-S455 PolarHBondContact OG-OG 2.9Å
453	T	78.6	Confident	89.8	Confident	78 Å²	78	43.7 Å²	43.7	48%	0.479	26%	0.258	S	S	.	.	S	Bend	trans	-88.6	-9	175.9	61.5	0	0	0	0	113.1	P43 V44 T47	P43-T453 HydrophobicContact CB-CG2 4.41Å; V44-T453 HydrophobicContact CG2-CG2 3.99Å; T47-T453 VanDerWaalsContact CB-O 3.28Å; T47-T453 WeakPolarHBondContact CB-O 3.44Å; T47-T453 WeakPolarHBondContact CG2-O 3.08Å; T47-T453 PolarHBondContact OG1-O 2.81Å; T47-T453 VanDerWaalsContact OG1-O 3.08Å
454	S	75.8	Confident	90.1	Very high	93 Å²	93	39.5 Å²	39.5	65%	0.65	23%	0.232	S	C	*	.	S	Bend	trans	-104.5	-6.7	-175.4	59.5	0	0	0	0	113.9	S452	S452-S454 PolarHBondContact OG-N 2.89Å; S452-S454 PolarHBondContact OG-OG 2.97Å
455	S	75.6	Confident	90.2	Very high	40 Å²	40	40.2 Å²	40.2	28%	0.28	24%	0.237	S	C	.	.	S	Bend	trans	-80.8	152	-176.7	-64.3	0	0	0	0	111.9	S452 Q457	S452-S455 WeakPolarHBondContact CB-OG 3.45Å; S452-S455 PolarHBondContact OG-N 2.8Å; S452-S455 PolarHBondContact OG-OG 2.9Å; S455-Q457 VanDerWaalsContact CB-O 3.3Å; S455-Q457 WeakPolarHBondContact CB-O 3.17Å; S455-Q457 PolarHBondContact O-N 2.6Å
456	A	79	Confident	90.4	Very high	77 Å²	77	39.9 Å²	39.9	64%	0.636	23%	0.234	S	C	*	.	S	Bend	trans	-68.2	-12.4	174.6	0	0	0	0	0	114.5	Q51	Q51-A456 VanDerWaalsContact OE1-CA 3.23Å
457	Q	86.6	Confident	90.5	Very high	86 Å²	86	39.8 Å²	39.8	40%	0.402	23%	0.234	S	C	.	.	S	Bend	trans	-129.8	138.3	179.1	-68.5	178.6	-13.6	0	0	107.6	Q188 S455 F459	Q188-Q457 HydrophobicContact CG-CB 4.38Å; S455-Q457 VanDerWaalsContact CB-O 3.3Å; S455-Q457 WeakPolarHBondContact CB-O 3.17Å; S455-Q457 PolarHBondContact O-N 2.6Å; Q457-F459 HydrophobicContact CB-CD2 4.41Å; Q457-F459 HydrophobicContact CB-CE1 4.48Å; Q457-F459 HydrophobicContact CB-CE2 3.99Å; Q457-F459 HydrophobicContact CB-CZ 4.03Å; Q457-F459 PolarHBondContact O-N 2.78Å; Q457-F459 VanDerWaalsContact O-N 3.09Å
458	N	92.8	Very high	90.6	Very high	5 Å²	5	39 Å²	39	3%	0.027	23%	0.23	C	C	.	.			trans	-82.9	79.5	177	179.5	24.2	0	0	0	110.2	V44 L48 L185 P187 Q188 S450	V44-N458 HydrophobicContact CG1-CB 4.07Å; L48-N458 HydrophobicContact CD1-CB 4.13Å; L185-N458 WeakPolarHBondContact O-CB 3.16Å; L185-N458 PolarHBondContact O-ND2 2.95Å; P187-N458 CarbonylContact C-O 3.29Å; P187-N458 VanDerWaalsContact CA-O 3.26Å; P187-N458 WeakPolarHBondContact CA-O 3.45Å; Q188-N458 PolarHBondContact N-O 3.24Å; S450-N458 WeakPolarHBondContact CB-OD1 3.37Å; S450-N458 PolarHBondContact OG-OD1 3Å
459	F	94.2	Very high	90.7	Very high	64 Å²	64	38.8 Å²	38.8	28%	0.281	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	139.7	172.6	-65.3	-65.8	0	0	0	110.8	Q188 P189 E190 S451 Q457	Q188-F459 HydrophobicContact CB-CD1 3.83Å; Q188-F459 HydrophobicContact CB-CE1 4.17Å; Q188-F459 WeakPolarHBondContact O-CA 3.49Å; P189-F459 WeakPolarHBondContact O-CD1 3.44Å; E190-F459 HydrophobicContact CG-CB 4.33Å; S451-F459 PolarHBondContact N-O 2.83Å; S451-F459 WeakPolarHBondContact OG-CB 3.21Å; S451-F459 PolarHBondContact OG-O 3.43Å; S451-F459 VanDerWaalsContact OG-O 3.06Å; Q457-F459 HydrophobicContact CB-CD2 4.41Å; Q457-F459 HydrophobicContact CB-CE1 4.48Å; Q457-F459 HydrophobicContact CB-CE2 3.99Å; Q457-F459 HydrophobicContact CB-CZ 4.03Å; Q457-F459 PolarHBondContact O-N 2.78Å; Q457-F459 VanDerWaalsContact O-N 3.09Å
460	S	94.2	Very high	90.9	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.007	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	125.7	-177.8	-179.8	0	0	0	0	110.8	Q188 R449 D462 Y463	Q188-S460 PolarHBondContact O-N 2.87Å; R449-S460 WeakPolarHBondContact O-CA 3.43Å; R449-S460 WeakPolarHBondContact O-CB 3.36Å; R449-S460 PolarHBondContact O-OG 3.38Å; S460-D462 PolarHBondContact O-N 3.04Å; S460-D462 PolarHBondContact OG-N 2.84Å; S460-Y463 PolarHBondContact O-N 2.85Å
461	P	93.2	Very high	91.1	Very high	58 Å²	58	30.9 Å²	30.9	38%	0.377	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-13.3	173	30.9	-35.7	0	0	0	112	R449	R449-P461 WeakPolarHBondContact O-CD 3.4Å
462	D	94.9	Very high	91.4	Very high	8 Å²	8	28 Å²	28	4%	0.043	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-2.8	-179.9	-64.2	-46.5	0	0	0	113	R16 L448 R449 S460 P464	R16-D462 IonicContact CZ-OD2 3.59Å; R16-D462 IonicContact NH1-OD1 3.71Å; R16-D462 PolarHBondContact NH1-OD1 2.9Å; R16-D462 IonicContact NH1-OD2 3.01Å; R16-D462 PolarHBondContact NH1-OD2 3.32Å; L448-D462 HydrophobicContact CB-CB 4.39Å; L448-D462 HydrophobicContact CD2-CB 3.74Å; R449-D462 WeakPolarHBondContact CB-OD2 3.25Å; R449-D462 VanDerWaalsContact CG-OD2 3.25Å; R449-D462 WeakPolarHBondContact CG-OD2 3.18Å; R449-D462 IonicContact CZ-OD1 2.84Å; R449-D462 IonicContact CZ-OD2 2.81Å; R449-D462 PolarHBondContact N-OD2 2.71Å; R449-D462 IonicContact NE-OD1 3.67Å; R449-D462 PolarHBondContact NE-OD1 3.39Å; R449-D462 IonicContact NE-OD2 3.05Å; R449-D462 PolarHBondContact NE-OD2 3.49Å; R449-D462 IonicContact NH2-OD1 3.67Å; R449-D462 PolarHBondContact NH2-OD1 2.88Å; R449-D462 IonicContact NH2-OD2 3.87Å; S460-D462 PolarHBondContact O-N 3.04Å; S460-D462 PolarHBondContact OG-N 2.84Å; D462-P464 WeakPolarHBondContact O-CD 3.47Å
463	Y	96.2	Very high	91.7	Very high	12 Å²	12	29.1 Å²	29.1	5%	0.047	18%	0.181	C	C	.	.			trans	-72	121.3	177.3	-165.2	-78.8	0	0	0	109.9	P187 P189 I193 L422 S460 L484 G496 C497	P187-Y463 HydrophobicContact CB-CD2 4.17Å; P187-Y463 HydrophobicContact CG-CD2 4.24Å; P187-Y463 WeakPolarHBondContact O-CD2 3.45Å; P187-Y463 WeakPolarHBondContact O-CE2 3.2Å; P189-Y463 HydrophobicContact CB-CD1 3.69Å; P189-Y463 HydrophobicContact CB-CE1 4.24Å; P189-Y463 HydrophobicContact CB-CG 4.29Å; P189-Y463 HydrophobicContact CG-CD1 4.17Å; P189-Y463 HydrophobicContact CG-CE1 4.26Å; I193-Y463 HydrophobicContact CD1-CE1 4.11Å; L422-Y463 HydrophobicContact CD1-CE2 4.46Å; S460-Y463 PolarHBondContact O-N 2.85Å; Y463-L484 HydrophobicContact CE1-CD2 4.34Å; Y463-L484 HydrophobicContact CE2-CD2 4.26Å; Y463-L484 WeakPolarHBondContact OH-CD2 3.37Å; Y463-G496 WeakPolarHBondContact OH-CA 3.39Å; Y463-C497 HydrophobicContact CE1-CB 3.77Å; Y463-C497 PolarHBondContact OH-N 3.31Å; Y463-C497 VanDerWaalsContact OH-N 3.14Å
464	P	96.6	Very high	92.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.168	C	C	.	.			trans	-83.7	154.4	-174.7	30.6	-32	0	0	0	113.3	L395 L422 D462 C497	L395-P464 HydrophobicContact CB-CB 3.68Å; L395-P464 HydrophobicContact CB-CG 3.82Å; L395-P464 HydrophobicContact CD2-CG 4.11Å; L422-P464 HydrophobicContact CD2-CG 4.39Å; D462-P464 WeakPolarHBondContact O-CD 3.47Å; P464-C497 VanDerWaalsContact O-CB 3.28Å; P464-C497 WeakPolarHBondContact O-CB 3.33Å; P464-C497 PolarHBondContact O-SG 2.94Å
465	D	96.6	Very high	92.8	Very high	25 Å²	25	28.8 Å²	28.8	13%	0.134	17%	0.168	C	C	.	.	S	Bend	trans	-75.2	-35.9	165.5	-64.2	-46.1	0	0	0	111.1	I193 R392 S393 C497 L498	I193-D465 WeakPolarHBondContact CG1-OD1 3.46Å; I193-D465 HydrophobicContact CG2-CB 4.12Å; R392-D465 VanDerWaalsContact CA-OD2 3.31Å; R392-D465 WeakPolarHBondContact CA-OD2 3.39Å; S393-D465 PolarHBondContact N-OD2 3.07Å; S393-D465 WeakPolarHBondContact O-CA 3.13Å; S393-D465 WeakPolarHBondContact O-CB 3.39Å; S393-D465 PolarHBondContact O-N 3.48Å; D465-C497 PolarHBondContact O-SG 3.34Å; D465-C497 VanDerWaalsContact O-SG 3.39Å; D465-L498 PolarHBondContact O-N 2.66Å
466	I	98.1	Very high	93.6	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	124.3	180	-52.2	172.3	0	0	0	109	S393 I394 L395 V468 C497 L498 V500 I514 L516 L519	S393-I466 PolarHBondContact O-N 3.35Å; S393-I466 VanDerWaalsContact O-N 3.12Å; I394-I466 CarbonylContact C-O 3.56Å; I394-I466 WeakPolarHBondContact CA-O 3.39Å; I394-I466 HydrophobicContact CD1-CD1 4.35Å; I394-I466 HydrophobicContact CG1-CB 4.29Å; I394-I466 HydrophobicContact CG1-CD1 4.26Å; I394-I466 HydrophobicContact CG2-CB 4.43Å; L395-I466 PolarHBondContact N-O 3.39Å; I466-V468 HydrophobicContact CG2-CG2 3.76Å; I466-C497 VanDerWaalsContact CA-SG 3.53Å; I466-C497 PolarHBondContact N-SG 3.05Å; I466-L498 CarbonylContact C-O 3.11Å; I466-L498 WeakPolarHBondContact CA-O 3.25Å; I466-L498 HydrophobicContact CG1-CB 4.45Å; I466-L498 HydrophobicContact CG2-CD2 4.28Å; I466-V500 HydrophobicContact CG2-CG2 4.5Å; I466-I514 HydrophobicContact CD1-CG2 4.09Å; I466-I514 HydrophobicContact CG2-CD1 4.17Å; I466-L516 HydrophobicContact CD1-CD2 3.91Å; I466-L519 HydrophobicContact CD1-CD2 3.74Å; I466-L519 HydrophobicContact CG1-CD2 3.95Å
467	Y	98.6	Very high	94.5	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	116.5	175.6	176.9	-160.4	0	0	0	108.6	L395 T397 M418 L422 C497 L498 L499 V500	L395-Y467 HydrophobicContact CB-CD2 4.19Å; L395-Y467 HydrophobicContact CD2-CD2 3.73Å; L395-Y467 HydrophobicContact CD2-CE2 3.92Å; L395-Y467 HydrophobicContact CD2-CG 4.16Å; L395-Y467 HydrophobicContact CG-CD2 3.86Å; L395-Y467 HydrophobicContact CG-CE2 4.18Å; L395-Y467 CarbonylContact O-C 3.43Å; L395-Y467 WeakPolarHBondContact O-CA 3.45Å; T397-Y467 HydrophobicContact CG2-CE2 3.75Å; M418-Y467 HydrophobicContact CB-CD1 4.13Å; M418-Y467 HydrophobicContact CB-CE1 3.77Å; M418-Y467 HydrophobicContact CE-CD1 3.79Å; M418-Y467 HydrophobicContact CE-CD2 4.07Å; M418-Y467 HydrophobicContact CE-CE1 4.06Å; M418-Y467 HydrophobicContact CE-CE2 4.28Å; M418-Y467 HydrophobicContact CE-CG 3.8Å; M418-Y467 WeakPolarHBondContact CE-O 3.25Å; M418-Y467 HydrophobicContact CG-CE1 4.05Å; L422-Y467 HydrophobicContact CD1-CD1 4.17Å; L422-Y467 HydrophobicContact CD2-CD1 4.21Å; L422-Y467 HydrophobicContact CG-CD1 4.1Å; L422-Y467 HydrophobicContact CG-CE1 4.45Å; Y467-C497 VanDerWaalsContact CB-SG 3.57Å; Y467-C497 PolarHBondContact N-SG 2.83Å; Y467-L498 PolarHBondContact N-O 2.71Å; Y467-L499 HydrophobicContact CD1-CD2 3.78Å; Y467-L499 HydrophobicContact CG-CD2 4.34Å; Y467-L499 CarbonylContact O-C 3.55Å; Y467-L499 WeakPolarHBondContact O-CA 3.1Å; Y467-V500 PolarHBondContact O-N 2.75Å
468	V	98.5	Very high	94.9	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130.2	-179.5	-162.2	0	0	0	0	110.8	V217 L268 L395 A396 T397 I466 V500 V502 I514	V217-V468 HydrophobicContact CB-CG1 4.44Å; V217-V468 HydrophobicContact CG1-CG1 3.8Å; V217-V468 HydrophobicContact CG2-CG1 4.38Å; L268-V468 HydrophobicContact CD1-CB 4.31Å; L268-V468 HydrophobicContact CD1-CG1 3.75Å; L395-V468 PolarHBondContact O-N 3Å; A396-V468 CarbonylContact C-O 3.59Å; A396-V468 WeakPolarHBondContact CA-O 3.29Å; T397-V468 PolarHBondContact N-O 2.93Å; T397-V468 PolarHBondContact OG1-O 3.08Å; I466-V468 HydrophobicContact CG2-CG2 3.76Å; V468-V500 WeakPolarHBondContact CA-O 3.35Å; V468-V500 HydrophobicContact CG1-CB 4.05Å; V468-V500 HydrophobicContact CG1-CG1 4.24Å; V468-V500 WeakPolarHBondContact CG1-O 3.32Å; V468-V500 HydrophobicContact CG2-CB 4.24Å; V468-V502 HydrophobicContact CG1-CG2 3.47Å; V468-V502 VanDerWaalsContact CG1-CG2 3.47Å; V468-I514 HydrophobicContact CG2-CD1 3.97Å
469	A	98.5	Very high	95.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	116.7	175.2	0	0	0	0	0	110	T397 V402 M418 Q472 V500 V502	T397-A469 WeakPolarHBondContact OG1-CA 3.42Å; V402-A469 HydrophobicContact CG2-CB 4.03Å; M418-A469 HydrophobicContact CE-CB 3.78Å; M418-A469 HydrophobicContact CG-CB 4.09Å; M418-A469 HydrophobicContact SD-CB 3.7Å; A469-Q472 WeakPolarHBondContact O-CG 3.17Å; A469-V500 PolarHBondContact N-O 3.33Å; A469-V502 PolarHBondContact O-N 2.88Å
470	G	97.7	Very high	95.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	178.2	175.3	0	0	0	0	0	113.2	S219 T397 S398 G399 Q472 V502	S219-G470 VanDerWaalsContact CB-CA 3.49Å; T397-G470 PolarHBondContact O-N 3.34Å; S398-G470 CarbonylContact C-O 3.51Å; G399-G470 WeakPolarHBondContact CA-O 3.5Å; G399-G470 PolarHBondContact N-O 2.87Å; G470-Q472 PolarHBondContact O-N 2.8Å; G470-Q472 VanDerWaalsContact O-N 3.16Å; G470-Q472 PolarHBondContact O-NE2 2.81Å; G470-V502 CarbonylContact C-O 3.45Å
471	C	96.2	Very high	95.2	Very high	6 Å²	6	33.3 Å²	33.3	4%	0.041	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.5	33.5	174.6	-57.1	0	0	0	0	113.8	S219 L268 S398 N403 V502	S219-C471 PolarHBondContact OG-N 2.81Å; L268-C471 PolarHBondContact O-SG 3.16Å; S398-C471 WeakPolarHBondContact O-CB 3.42Å; N403-C471 PolarHBondContact ND2-O 2.82Å; C471-V502 PolarHBondContact N-O 3.08Å
472	Q	95.6	Very high	95.3	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	144.2	176.7	-58.2	-57.3	-61.6	0	0	110.3	N403 A414 A469 G470 E474 S501 V502 P503 R504	N403-Q472 PolarHBondContact OD1-NE2 3.05Å; N403-Q472 VanDerWaalsContact OD1-NE2 3.17Å; N403-Q472 PolarHBondContact OD1-OE1 3.06Å; A414-Q472 HydrophobicContact CB-CB 4.46Å; A414-Q472 HydrophobicContact CB-CG 4.15Å; A414-Q472 VanDerWaalsContact CB-OE1 3.3Å; A469-Q472 WeakPolarHBondContact O-CG 3.17Å; G470-Q472 PolarHBondContact O-N 2.8Å; G470-Q472 VanDerWaalsContact O-N 3.16Å; G470-Q472 PolarHBondContact O-NE2 2.81Å; Q472-E474 VanDerWaalsContact C-N 3.29Å; Q472-E474 PolarHBondContact O-N 3.29Å; Q472-S501 WeakPolarHBondContact CG-OG 3.37Å; Q472-V502 PolarHBondContact N-O 3.27Å; Q472-V502 VanDerWaalsContact N-O 3.17Å; Q472-P503 WeakPolarHBondContact O-CA 3.29Å; Q472-R504 PolarHBondContact O-N 3.04Å
473	S	88.2	Confident	95.2	Very high	53 Å²	53	33.5 Å²	33.5	37%	0.371	16%	0.161	S	C	.	.			trans	-81	-6.7	-176.3	55.6	0	0	0	0	114.2
474	E	89.8	Confident	95	Very high	43 Å²	43	33.5 Å²	33.5	20%	0.201	16%	0.162	C	C	.	.			trans	-67.3	147.9	177.8	-65.7	173	-177.9	0	0	111.2	N413 A414 Q472 Q476 S478 S501 P503	N413-E474 WeakPolarHBondContact CA-OE1 2.85Å; A414-E474 WeakPolarHBondContact CB-OE1 3.28Å; A414-E474 PolarHBondContact N-OE1 2.96Å; Q472-E474 VanDerWaalsContact C-N 3.29Å; Q472-E474 PolarHBondContact O-N 3.29Å; E474-Q476 VanDerWaalsContact C-N 3.31Å; E474-Q476 PolarHBondContact O-N 2.79Å; E474-S478 PolarHBondContact OE2-OG 2.86Å; E474-S501 PolarHBondContact OE2-OG 3.44Å; E474-P503 WeakPolarHBondContact O-CB 3.29Å
475	D	88.7	Confident	94.7	Very high	122 Å²	122	36.3 Å²	36.3	65%	0.652	17%	0.174	S	C	*	.	S	Bend	trans	-78.1	-16.3	-179.4	-71.6	-41.1	0	0	0	113.8	T508	D475-T508 WeakPolarHBondContact O-CG2 3.34Å
476	Q	92.4	Very high	94.2	Very high	112 Å²	112	36.7 Å²	36.7	52%	0.523	17%	0.173	S	C	.	.	S	Bend	trans	-130.4	142.1	-178.1	-63.7	-61.1	-33.3	0	0	110.2	E474	E474-Q476 VanDerWaalsContact C-N 3.31Å; E474-Q476 PolarHBondContact O-N 2.79Å
477	P	96.1	Very high	93.3	Very high	16 Å²	16	40.2 Å²	40.2	10%	0.104	19%	0.192	C	C	.	.			trans	-63.7	143.1	169.9	-13.3	27	0	0	0	111.1	W479 S501 P503 V512 V523	P477-W479 HydrophobicContact CB-CE3 4.47Å; P477-W479 HydrophobicContact CB-CZ3 4.11Å; P477-S501 WeakPolarHBondContact CA-O 3.34Å; P477-P503 HydrophobicContact CB-CG 4.27Å; P477-P503 HydrophobicContact CG-CG 3.7Å; P477-V512 HydrophobicContact CB-CG2 3.6Å; P477-V512 HydrophobicContact CG-CG2 3.83Å; P477-V523 HydrophobicContact CB-CG2 4.04Å; P477-V523 HydrophobicContact CG-CG1 4.01Å; P477-V523 HydrophobicContact CG-CG2 3.74Å
478	S	97	Very high	92.5	Very high	33 Å²	33	43.2 Å²	43.2	23%	0.231	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	145.1	179.9	59.8	0	0	0	0	110.1	E474 S501	E474-S478 PolarHBondContact OE2-OG 2.86Å; S478-S501 PolarHBondContact N-O 2.9Å; S478-S501 WeakPolarHBondContact O-CB 3.39Å; S478-S501 PolarHBondContact O-N 2.95Å; S478-S501 VanDerWaalsContact OG-CB 3.22Å; S478-S501 WeakPolarHBondContact OG-CB 3.49Å
479	W	97.3	Very high	91.4	Very high	99 Å²	99	51.6 Å²	51.6	38%	0.375	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	148.4	177.5	56.3	85.5	0	0	0	111.5	P477 L498 L499 V500 C521 V523	P477-W479 HydrophobicContact CB-CE3 4.47Å; P477-W479 HydrophobicContact CB-CZ3 4.11Å; W479-L498 HydrophobicContact CB-CD1 4.4Å; W479-L499 CarbonylContact C-O 3.54Å; W479-L499 WeakPolarHBondContact CA-O 3.27Å; W479-L499 WeakPolarHBondContact CB-O 3.5Å; W479-V500 HydrophobicContact CB-CG2 4.13Å; W479-C521 HydrophobicContact CD2-CB 3.43Å; W479-C521 VanDerWaalsContact CD2-CB 3.43Å; W479-C521 HydrophobicContact CE3-CB 3.96Å; W479-C521 HydrophobicContact CG-CB 3.71Å; W479-C521 HydrophobicContact CH2-CB 4.33Å; W479-C521 HydrophobicContact CZ2-CB 3.84Å; W479-C521 VanDerWaalsContact CZ2-O 3.29Å; W479-C521 WeakPolarHBondContact CZ2-O 3.42Å; W479-C521 HydrophobicContact CZ3-CB 4.38Å; W479-V523 HydrophobicContact CH2-CG2 3.74Å; W479-V523 HydrophobicContact CZ3-CG2 3.58Å
480	R	95.2	Very high	90.5	Very high	63 Å²	63	55.4 Å²	55.4	24%	0.238	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	166.6	174.9	63	-178.6	-173.2	78.7	-7.3	111.5	C415 D416 E419 L499	C415-R480 HydrophobicContact CB-CG 3.97Å; D416-R480 IonicContact OD1-CZ 3.58Å; D416-R480 IonicContact OD1-NE 3.19Å; D416-R480 PolarHBondContact OD1-NE 2.8Å; D416-R480 IonicContact OD1-NH2 3.04Å; D416-R480 PolarHBondContact OD1-NH2 2.88Å; E419-R480 VanDerWaalsContact CD-NH1 3.3Å; E419-R480 IonicContact OE1-CZ 2.99Å; E419-R480 IonicContact OE1-NH1 3.37Å; E419-R480 PolarHBondContact OE1-NH1 2.85Å; E419-R480 IonicContact OE1-NH2 2.81Å; E419-R480 IonicContact OE2-CZ 2.71Å; E419-R480 IonicContact OE2-NH1 2.72Å; E419-R480 PolarHBondContact OE2-NH1 3.09Å; E419-R480 IonicContact OE2-NH2 3.22Å; E419-R480 PolarHBondContact OE2-NH2 2.74Å; R480-L499 PolarHBondContact N-O 3.36Å; R480-L499 VanDerWaalsContact N-O 3.08Å; R480-L499 WeakPolarHBondContact O-CB 3.37Å; R480-L499 PolarHBondContact O-N 2.81Å
481	R	95	Very high	89.2	Confident	44 Å²	44	60 Å²	60	17%	0.166	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	139.6	168.7	-59.2	-62.7	-69.4	178.5	-7.2	109.8	I193 I490 C495 G496 C497 L498	I193-R481 VanDerWaalsContact CG2-NH2 3.35Å; R481-I490 WeakPolarHBondContact O-CD1 3.26Å; R481-C495 HydrophobicContact CB-CB 4.23Å; R481-C495 HydrophobicContact CG-CB 4.37Å; R481-C495 PolarHBondContact NH2-O 2.73Å; R481-G496 PolarHBondContact NE-O 2.77Å; R481-G496 PolarHBondContact NH2-O 3.26Å; R481-C497 CarbonylContact C-O 3.58Å; R481-C497 WeakPolarHBondContact CA-O 3.37Å; R481-L498 VanDerWaalsContact NH1-N 3.18Å
482	A	94.5	Very high	87.9	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-78.4	147.1	174.9	0	0	0	0	0	110.9	E419 L422 G496 C497 L499	E419-A482 HydrophobicContact CG-CB 4.34Å; E419-A482 WeakPolarHBondContact OE1-CA 3.48Å; L422-A482 HydrophobicContact CD1-CB 4.26Å; A482-G496 VanDerWaalsContact O-CA 3.27Å; A482-G496 WeakPolarHBondContact O-CA 3.47Å; A482-G496 PolarHBondContact O-N 3.21Å; A482-C497 HydrophobicContact CB-CB 4.35Å; A482-C497 WeakPolarHBondContact CB-O 3.22Å; A482-C497 PolarHBondContact N-O 2.92Å; A482-L499 HydrophobicContact CB-CD1 3.91Å; A482-L499 HydrophobicContact CB-CD2 4.1Å; A482-L499 HydrophobicContact CB-CG 3.95Å
483	R	93.1	Very high	86.5	Confident	70 Å²	70	75.7 Å²	75.7	26%	0.264	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-69.7	145	161.4	-66.5	174.6	-71.6	169.5	-2	109.3	E419 W486 I490	E419-R483 VanDerWaalsContact CD-NE 3.27Å; E419-R483 WeakPolarHBondContact OE1-CB 3.15Å; E419-R483 WeakPolarHBondContact OE1-CG 3.36Å; E419-R483 PolarHBondContact OE1-N 2.88Å; E419-R483 IonicContact OE1-NE 2.74Å; E419-R483 PolarHBondContact OE1-NE 2.79Å; E419-R483 IonicContact OE2-CZ 2.74Å; E419-R483 IonicContact OE2-NE 3.39Å; E419-R483 PolarHBondContact OE2-NE 3.45Å; E419-R483 IonicContact OE2-NH2 3.63Å; E419-R483 PolarHBondContact OE2-NH2 3.39Å; R483-W486 PolarHBondContact NH1-O 2.84Å; R483-I490 HydrophobicContact CG-CD1 4.08Å; R483-I490 HydrophobicContact CG-CG1 3.65Å
484	L	91.7	Very high	85.8	Confident	13 Å²	13	75.3 Å²	75.3	7%	0.068	36%	0.358	C	S	.	.	S	Bend	trans	-88.1	-27.5	175.4	-75.9	179.4	0	0	0	112.3	Q188 P189 Y463 N494 G496	Q188-L484 PolarHBondContact NE2-O 2.98Å; Q188-L484 VanDerWaalsContact OE1-CB 3.27Å; P189-L484 HydrophobicContact CG-CD2 4.39Å; Y463-L484 HydrophobicContact CE1-CD2 4.34Å; Y463-L484 HydrophobicContact CE2-CD2 4.26Å; Y463-L484 WeakPolarHBondContact OH-CD2 3.37Å; L484-N494 WeakPolarHBondContact CD1-OD1 3.4Å; L484-G496 VanDerWaalsContact CD2-CA 3.45Å
485	K	89.8	Confident	85.5	Confident	59 Å²	59	74.8 Å²	74.8	26%	0.257	36%	0.359	S	S	.	.	S	Bend	trans	-134.8	157.2	174.1	-56.4	-168.5	-159.2	149.3	0	110.4	E186 N487 E488	E186-K485 WeakPolarHBondContact OE1-CA 3.47Å; K485-N487 VanDerWaalsContact C-N 3.32Å; K485-N487 PolarHBondContact O-N 3.16Å; K485-E488 HydrophobicContact CB-CB 4.24Å; K485-E488 HydrophobicContact CB-CG 4.04Å; K485-E488 HydrophobicContact CD-CG 4.34Å; K485-E488 VanDerWaalsContact CD-OE1 3.32Å; K485-E488 WeakPolarHBondContact CD-OE1 3.16Å; K485-E488 WeakPolarHBondContact CE-OE1 3.36Å; K485-E488 IonicContact NZ-OE1 2.97Å; K485-E488 PolarHBondContact NZ-OE1 2.88Å; K485-E488 IonicContact NZ-OE2 2.66Å
486	W	85.5	Confident	85.7	Confident	32 Å²	32	69 Å²	69	12%	0.121	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-39.4	-175.6	-161.5	-89.7	0	0	0	113.4	L151 W152 E186 T420 L423 R483	L151-W486 PolarHBondContact O-NE1 2.95Å; W152-W486 AromaticContact CE3-CD1 3.94Å; W152-W486 HydrophobicContact CE3-CD2 4.18Å; W152-W486 AromaticContact CE3-CE2 3.73Å; W152-W486 HydrophobicContact CE3-CG 4.31Å; W152-W486 HydrophobicContact CE3-CZ2 4.16Å; W152-W486 AromaticContact CE3-NE1 3.55Å; W152-W486 HydrophobicContact CH2-CB 3.64Å; W152-W486 AromaticContact CH2-CD1 3.44Å; W152-W486 VanDerWaalsContact CH2-CD1 3.44Å; W152-W486 AromaticContact CH2-CD2 3.86Å; W152-W486 HydrophobicContact CH2-CD2 3.86Å; W152-W486 AromaticContact CH2-CG 3.36Å; W152-W486 HydrophobicContact CH2-CG 3.36Å; W152-W486 AromaticContact CH2-NE1 3.93Å; W152-W486 HydrophobicContact CZ2-CG 4.48Å; W152-W486 HydrophobicContact CZ3-CB 4.03Å; W152-W486 AromaticContact CZ3-CD1 3.25Å; W152-W486 AromaticContact CZ3-CD2 3.25Å; W152-W486 HydrophobicContact CZ3-CD2 3.25Å; W152-W486 AromaticContact CZ3-CE2 3.28Å; W152-W486 AromaticContact CZ3-CE3 3.9Å; W152-W486 HydrophobicContact CZ3-CE3 3.9Å; W152-W486 AromaticContact CZ3-CG 3.26Å; W152-W486 HydrophobicContact CZ3-CG 3.26Å; W152-W486 AromaticContact CZ3-CZ2 4Å; W152-W486 HydrophobicContact CZ3-CZ2 4Å; W152-W486 AromaticContact CZ3-NE1 3.24Å; E186-W486 PolarHBondContact OE1-N 3.49Å; T420-W486 HydrophobicContact CG2-CH2 4.2Å; T420-W486 HydrophobicContact CG2-CZ3 4.13Å; L423-W486 HydrophobicContact CB-CE3 4.06Å; L423-W486 HydrophobicContact CB-CZ3 4.3Å; L423-W486 HydrophobicContact CD1-CD2 4.25Å; L423-W486 HydrophobicContact CD1-CE3 3.43Å; L423-W486 VanDerWaalsContact CD1-CE3 3.43Å; L423-W486 HydrophobicContact CD1-CZ3 3.87Å; L423-W486 HydrophobicContact CG-CE3 4.33Å; R483-W486 PolarHBondContact NH1-O 2.84Å
487	N	80.8	Confident	85.8	Confident	76 Å²	76	63.7 Å²	63.7	41%	0.406	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	9	-172.4	-60.7	-13.1	0	0	0	114.1	L151 K485	L151-N487 WeakPolarHBondContact CD1-OD1 3.38Å; K485-N487 VanDerWaalsContact C-N 3.32Å; K485-N487 PolarHBondContact O-N 3.16Å
488	E	80.2	Confident	85.9	Confident	64 Å²	64	63.2 Å²	63.2	30%	0.299	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-103.9	133.2	179.8	-71.2	-178.6	178.3	0	0	110.5	K485 N494	K485-E488 HydrophobicContact CB-CB 4.24Å; K485-E488 HydrophobicContact CB-CG 4.04Å; K485-E488 HydrophobicContact CD-CG 4.34Å; K485-E488 VanDerWaalsContact CD-OE1 3.32Å; K485-E488 WeakPolarHBondContact CD-OE1 3.16Å; K485-E488 WeakPolarHBondContact CE-OE1 3.36Å; K485-E488 IonicContact NZ-OE1 2.97Å; K485-E488 PolarHBondContact NZ-OE1 2.88Å; K485-E488 IonicContact NZ-OE2 2.66Å; E488-N494 PolarHBondContact OE2-ND2 3.5Å
489	E	76.7	Confident	86	Confident	178 Å²	178	61.7 Å²	61.7	83%	0.832	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-71.3	152	169.7	-69.8	-174.1	172.6	0	0	110.6	D491	E489-D491 PolarHBondContact O-N 3.06Å
490	I	78.5	Confident	86	Confident	80 Å²	80	57 Å²	57	41%	0.41	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-74.6	118.2	177.2	-57.3	173.5	0	0	0	108.1	R481 R483 C495	R481-I490 WeakPolarHBondContact O-CD1 3.26Å; R483-I490 HydrophobicContact CG-CD1 4.08Å; R483-I490 HydrophobicContact CG-CG1 3.65Å; I490-C495 WeakPolarHBondContact CG2-SG 3.13Å
491	D	71.7	Confident	86.2	Confident	97 Å²	97	54 Å²	54	52%	0.519	26%	0.26	S	S	.	.			trans	-118.8	159.4	169.7	-173.2	18.8	0	0	0	110	E489 N493 N494 C495	E489-D491 PolarHBondContact O-N 3.06Å; D491-N493 PolarHBondContact O-N 2.66Å; D491-N494 HydrophobicContact CB-CB 4.46Å; D491-N494 CarbonylContact O-C 3.48Å; D491-N494 PolarHBondContact O-N 3.12Å; D491-C495 PolarHBondContact O-N 3.46Å; D491-C495 PolarHBondContact O-SG 2.84Å
492	K	67.4	Low	86.3	Confident	182 Å²	182	51.9 Å²	51.9	79%	0.791	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-34.5	-179.9	-70.5	-170.5	176.9	-169.9	0	112.9
493	N	67.6	Low	86.4	Confident	154 Å²	154	51.9 Å²	51.9	82%	0.824	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-12.4	179.6	-64.9	-23.7	0	0	0	114.2	D491	D491-N493 PolarHBondContact O-N 2.66Å
494	N	72.4	Confident	86.6	Confident	45 Å²	45	50.1 Å²	50.1	24%	0.241	25%	0.245	C	C	.	.	S	Bend	trans	-122.8	39.7	-173.9	-158.6	33.5	0	0	0	112.2	L484 E488 D491	L484-N494 WeakPolarHBondContact CD1-OD1 3.4Å; E488-N494 PolarHBondContact OE2-ND2 3.5Å; D491-N494 HydrophobicContact CB-CB 4.46Å; D491-N494 CarbonylContact O-C 3.48Å; D491-N494 PolarHBondContact O-N 3.12Å
495	C	83.8	Confident	86.9	Confident	32 Å²	32	49.5 Å²	49.5	22%	0.216	24%	0.242	C	C	.	.			trans	-95.3	119.5	178	-69.3	0	0	0	0	111.2	R481 I490 D491	R481-C495 HydrophobicContact CB-CB 4.23Å; R481-C495 HydrophobicContact CG-CB 4.37Å; R481-C495 PolarHBondContact NH2-O 2.73Å; I490-C495 WeakPolarHBondContact CG2-SG 3.13Å; D491-C495 PolarHBondContact O-N 3.46Å; D491-C495 PolarHBondContact O-SG 2.84Å
496	G	92.8	Very high	87.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.233	C	C	.	.			trans	-74.6	-161	169.9	0	0	0	0	0	113	Y463 R481 A482 L484	Y463-G496 WeakPolarHBondContact OH-CA 3.39Å; R481-G496 PolarHBondContact NE-O 2.77Å; R481-G496 PolarHBondContact NH2-O 3.26Å; A482-G496 VanDerWaalsContact O-CA 3.27Å; A482-G496 WeakPolarHBondContact O-CA 3.47Å; A482-G496 PolarHBondContact O-N 3.21Å; L484-G496 VanDerWaalsContact CD2-CA 3.45Å
497	C	95.6	Very high	87.5	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.242	C	C	.	.			trans	-49.7	149.5	-176.1	-171.8	0	0	0	0	114.5	L422 Y463 P464 D465 I466 Y467 R481 A482 L499	L422-C497 HydrophobicContact CD1-CB 3.86Å; Y463-C497 HydrophobicContact CE1-CB 3.77Å; Y463-C497 PolarHBondContact OH-N 3.31Å; Y463-C497 VanDerWaalsContact OH-N 3.14Å; P464-C497 VanDerWaalsContact O-CB 3.28Å; P464-C497 WeakPolarHBondContact O-CB 3.33Å; P464-C497 PolarHBondContact O-SG 2.94Å; D465-C497 PolarHBondContact O-SG 3.34Å; D465-C497 VanDerWaalsContact O-SG 3.39Å; I466-C497 VanDerWaalsContact CA-SG 3.53Å; I466-C497 PolarHBondContact N-SG 3.05Å; Y467-C497 VanDerWaalsContact CB-SG 3.57Å; Y467-C497 PolarHBondContact N-SG 2.83Å; R481-C497 CarbonylContact C-O 3.58Å; R481-C497 WeakPolarHBondContact CA-O 3.37Å; A482-C497 HydrophobicContact CB-CB 4.35Å; A482-C497 WeakPolarHBondContact CB-O 3.22Å; A482-C497 PolarHBondContact N-O 2.92Å; C497-L499 HydrophobicContact CB-CD2 4.37Å; C497-L499 PolarHBondContact O-N 3.39Å
498	L	97.4	Very high	88.1	Confident	7 Å²	7	45.1 Å²	45.1	4%	0.037	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	113.5	162.5	174.1	68.7	0	0	0	108.9	D465 I466 Y467 W479 R481 V500 I514 L519	D465-L498 PolarHBondContact O-N 2.66Å; I466-L498 CarbonylContact C-O 3.11Å; I466-L498 WeakPolarHBondContact CA-O 3.25Å; I466-L498 HydrophobicContact CG1-CB 4.45Å; I466-L498 HydrophobicContact CG2-CD2 4.28Å; Y467-L498 PolarHBondContact N-O 2.71Å; W479-L498 HydrophobicContact CB-CD1 4.4Å; R481-L498 VanDerWaalsContact NH1-N 3.18Å; L498-V500 HydrophobicContact CD1-CG2 4.43Å; L498-V500 HydrophobicContact CD2-CG2 3.87Å; L498-V500 HydrophobicContact CG-CG2 3.79Å; L498-I514 HydrophobicContact CD2-CG2 3.91Å; L498-L519 HydrophobicContact CB-CD1 4.42Å; L498-L519 HydrophobicContact CD2-CB 4.05Å
499	L	98.3	Very high	88.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	129.7	173.5	-51.9	179.8	0	0	0	109.1	C415 M418 E419 L422 Y467 W479 R480 A482 C497	C415-L499 WeakPolarHBondContact O-CD1 3.49Å; M418-L499 HydrophobicContact CB-CD1 4.3Å; M418-L499 HydrophobicContact CB-CD2 4.32Å; M418-L499 HydrophobicContact CE-CB 4.14Å; M418-L499 HydrophobicContact CE-CD2 4.43Å; E419-L499 HydrophobicContact CB-CD1 3.68Å; E419-L499 HydrophobicContact CG-CD1 4.45Å; L422-L499 HydrophobicContact CD1-CD2 3.76Å; Y467-L499 HydrophobicContact CD1-CD2 3.78Å; Y467-L499 HydrophobicContact CG-CD2 4.34Å; Y467-L499 CarbonylContact O-C 3.55Å; Y467-L499 WeakPolarHBondContact O-CA 3.1Å; W479-L499 CarbonylContact C-O 3.54Å; W479-L499 WeakPolarHBondContact CA-O 3.27Å; W479-L499 WeakPolarHBondContact CB-O 3.5Å; R480-L499 PolarHBondContact N-O 3.36Å; R480-L499 VanDerWaalsContact N-O 3.08Å; R480-L499 WeakPolarHBondContact O-CB 3.37Å; R480-L499 PolarHBondContact O-N 2.81Å; A482-L499 HydrophobicContact CB-CD1 3.91Å; A482-L499 HydrophobicContact CB-CD2 4.1Å; A482-L499 HydrophobicContact CB-CG 3.95Å; C497-L499 HydrophobicContact CB-CD2 4.37Å; C497-L499 PolarHBondContact O-N 3.39Å
500	V	98.5	Very high	89.8	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	110.3	176.3	-173.5	0	0	0	0	109.6	I466 Y467 V468 A469 W479 L498 V502 V512 I514	I466-V500 HydrophobicContact CG2-CG2 4.5Å; Y467-V500 PolarHBondContact O-N 2.75Å; V468-V500 WeakPolarHBondContact CA-O 3.35Å; V468-V500 HydrophobicContact CG1-CB 4.05Å; V468-V500 HydrophobicContact CG1-CG1 4.24Å; V468-V500 WeakPolarHBondContact CG1-O 3.32Å; V468-V500 HydrophobicContact CG2-CB 4.24Å; A469-V500 PolarHBondContact N-O 3.33Å; W479-V500 HydrophobicContact CB-CG2 4.13Å; L498-V500 HydrophobicContact CD1-CG2 4.43Å; L498-V500 HydrophobicContact CD2-CG2 3.87Å; L498-V500 HydrophobicContact CG-CG2 3.79Å; V500-V502 HydrophobicContact CG1-CG2 3.97Å; V500-V512 HydrophobicContact CG1-CG1 3.79Å; V500-I514 HydrophobicContact CB-CD1 4.32Å; V500-I514 HydrophobicContact CG1-CD1 4.25Å; V500-I514 HydrophobicContact CG2-CD1 3.84Å; V500-I514 HydrophobicContact CG2-CG1 4.42Å
501	S	98.2	Very high	90.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	117.1	170.8	173.8	0	0	0	0	108.8	A414 Q472 E474 P477 S478	A414-S501 VanDerWaalsContact CB-OG 3.25Å; A414-S501 WeakPolarHBondContact CB-OG 3.45Å; Q472-S501 WeakPolarHBondContact CG-OG 3.37Å; E474-S501 PolarHBondContact OE2-OG 3.44Å; P477-S501 WeakPolarHBondContact CA-O 3.34Å; S478-S501 PolarHBondContact N-O 2.9Å; S478-S501 WeakPolarHBondContact O-CB 3.39Å; S478-S501 PolarHBondContact O-N 2.95Å; S478-S501 VanDerWaalsContact OG-CB 3.22Å; S478-S501 WeakPolarHBondContact OG-CB 3.49Å
502	V	98.3	Very high	91.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	114.5	179.6	-176.2	0	0	0	0	108.3	V217 S219 V468 A469 G470 C471 Q472 V500 V512	V217-V502 HydrophobicContact CB-CG2 4.18Å; V217-V502 HydrophobicContact CG1-CG1 4.41Å; V217-V502 HydrophobicContact CG1-CG2 3.82Å; S219-V502 PolarHBondContact OG-O 2.97Å; V468-V502 HydrophobicContact CG1-CG2 3.47Å; V468-V502 VanDerWaalsContact CG1-CG2 3.47Å; A469-V502 PolarHBondContact O-N 2.88Å; G470-V502 CarbonylContact C-O 3.45Å; C471-V502 PolarHBondContact N-O 3.08Å; Q472-V502 PolarHBondContact N-O 3.27Å; Q472-V502 VanDerWaalsContact N-O 3.17Å; V500-V502 HydrophobicContact CG1-CG2 3.97Å; V502-V512 HydrophobicContact CG1-CG2 4.21Å; V502-V512 HydrophobicContact CG2-CB 4.34Å; V502-V512 HydrophobicContact CG2-CG2 4.1Å
503	P	97.1	Very high	93.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	169.2	-179.6	35	-38	0	0	0	110.1	S219 Q472 E474 P477 F505 T508	S219-P503 PolarHBondContact OG-O 2.84Å; Q472-P503 WeakPolarHBondContact O-CA 3.29Å; E474-P503 WeakPolarHBondContact O-CB 3.29Å; P477-P503 HydrophobicContact CB-CG 4.27Å; P477-P503 HydrophobicContact CG-CG 3.7Å; P503-F505 PolarHBondContact O-N 2.87Å; P503-T508 HydrophobicContact CB-CG2 3.8Å; P503-T508 HydrophobicContact CG-CG2 4.03Å
504	R	96.7	Very high	94.5	Very high	34 Å²	34	9.6 Å²	9.6	13%	0.128	5%	0.051	C	C	.	.			trans	-67.2	128.2	177.6	-57.7	-179.4	61.6	86.4	0.3	111.6	A220 D270 Q472 D506 L507 T508	A220-R504 HydrophobicContact CB-CB 3.71Å; A220-R504 HydrophobicContact CB-CG 3.76Å; D270-R504 IonicContact OD2-CZ 3.42Å; D270-R504 IonicContact OD2-NH1 2.63Å; D270-R504 PolarHBondContact OD2-NH1 3.47Å; D270-R504 IonicContact OD2-NH2 3.43Å; Q472-R504 PolarHBondContact O-N 3.04Å; R504-D506 VanDerWaalsContact C-N 3.35Å; R504-D506 WeakPolarHBondContact CB-OD1 3.34Å; R504-D506 IonicContact CZ-OD1 3.93Å; R504-D506 IonicContact CZ-OD2 2.67Å; R504-D506 IonicContact NE-OD1 3.57Å; R504-D506 PolarHBondContact NE-OD1 3.49Å; R504-D506 IonicContact NE-OD2 3.68Å; R504-D506 IonicContact NH2-OD1 2.67Å; R504-D506 IonicContact NH2-OD2 3.42Å; R504-D506 PolarHBondContact NH2-OD2 3.23Å; R504-L507 HydrophobicContact CB-CB 4.43Å; R504-L507 HydrophobicContact CB-CD1 4.33Å; R504-L507 HydrophobicContact CB-CG 4.25Å; R504-L507 PolarHBondContact O-N 3.1Å; R504-T508 PolarHBondContact O-N 2.85Å; R504-T508 PolarHBondContact O-OG1 3.46Å
505	F	97.2	Very high	95.5	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-65.8	-39.3	177.5	-178.6	-87.8	0	0	0	111.5	V218 S219 L221 A236 L237 L240 P503 L507 T508 F509 F526	V218-F505 HydrophobicContact CG2-CB 3.68Å; V218-F505 HydrophobicContact CG2-CD2 3.66Å; V218-F505 HydrophobicContact CG2-CG 3.87Å; S219-F505 WeakPolarHBondContact O-CB 3.1Å; S219-F505 PolarHBondContact O-N 3.37Å; L221-F505 HydrophobicContact CD2-CB 4.36Å; L221-F505 HydrophobicContact CD2-CD1 4.04Å; L221-F505 HydrophobicContact CD2-CG 4.09Å; A236-F505 HydrophobicContact CB-CE1 4.09Å; A236-F505 HydrophobicContact CB-CZ 3.91Å; L237-F505 HydrophobicContact CD2-CD1 4Å; L237-F505 HydrophobicContact CD2-CE1 3.59Å; L237-F505 HydrophobicContact CD2-CZ 4.42Å; L237-F505 HydrophobicContact CG-CE1 3.94Å; L240-F505 HydrophobicContact CB-CE2 4.28Å; L240-F505 HydrophobicContact CB-CZ 4.09Å; L240-F505 HydrophobicContact CD2-CD2 4.23Å; L240-F505 HydrophobicContact CD2-CE2 3.73Å; L240-F505 HydrophobicContact CD2-CZ 3.92Å; L240-F505 HydrophobicContact CG-CE2 4.43Å; P503-F505 PolarHBondContact O-N 2.87Å; F505-L507 PolarHBondContact O-N 2.97Å; F505-T508 PolarHBondContact O-N 2.96Å; F505-F509 HydrophobicContact CE1-CD1 4.31Å; F505-F509 WeakPolarHBondContact O-CA 3.3Å; F505-F509 WeakPolarHBondContact O-CD1 3.24Å; F505-F509 PolarHBondContact O-N 3.01Å; F505-F526 AromaticContact CE2-CD2 3.89Å; F505-F526 HydrophobicContact CE2-CD2 3.89Å; F505-F526 HydrophobicContact CE2-CE2 4.48Å; F505-F526 HydrophobicContact CZ-CD2 4.39Å
506	D	94.6	Very high	95.9	Very high	12 Å²	12	6.3 Å²	6.3	6%	0.064	3%	0.031	C	C	.	.	H	α-helix	trans	-60	-16.4	177.8	65.8	-3.2	0	0	0	114.5	A220 R504	A220-D506 PolarHBondContact O-N 2.93Å; R504-D506 VanDerWaalsContact C-N 3.35Å; R504-D506 WeakPolarHBondContact CB-OD1 3.34Å; R504-D506 IonicContact CZ-OD1 3.93Å; R504-D506 IonicContact CZ-OD2 2.67Å; R504-D506 IonicContact NE-OD1 3.57Å; R504-D506 PolarHBondContact NE-OD1 3.49Å; R504-D506 IonicContact NE-OD2 3.68Å; R504-D506 IonicContact NH2-OD1 2.67Å; R504-D506 IonicContact NH2-OD2 3.42Å; R504-D506 PolarHBondContact NH2-OD2 3.23Å
507	L	93	Very high	95.8	Very high	59 Å²	59	8.9 Å²	8.9	31%	0.309	4%	0.042	S	C	.	.	H	α-helix	trans	-104.6	-43.3	173.3	-59.2	-178.2	0	0	0	113.1	K230 R504 F505	K230-L507 PolarHBondContact NZ-O 3.49Å; R504-L507 HydrophobicContact CB-CB 4.43Å; R504-L507 HydrophobicContact CB-CD1 4.33Å; R504-L507 HydrophobicContact CB-CG 4.25Å; R504-L507 PolarHBondContact O-N 3.1Å; F505-L507 PolarHBondContact O-N 2.97Å
508	T	94.5	Very high	95.6	Very high	4 Å²	4	10 Å²	10	3%	0.025	5%	0.05	C	C	.	.	H	α-helix	trans	-105.4	-11.3	-167.2	64.2	0	0	0	0	114.4	D475 P503 R504 F505 S510 R525	D475-T508 WeakPolarHBondContact O-CG2 3.34Å; P503-T508 HydrophobicContact CB-CG2 3.8Å; P503-T508 HydrophobicContact CG-CG2 4.03Å; R504-T508 PolarHBondContact O-N 2.85Å; R504-T508 PolarHBondContact O-OG1 3.46Å; F505-T508 PolarHBondContact O-N 2.96Å; T508-S510 PolarHBondContact O-N 2.88Å; T508-S510 VanDerWaalsContact O-N 3.16Å; T508-S510 PolarHBondContact O-OG 3.2Å; T508-R525 PolarHBondContact O-NH1 2.99Å
509	F	96	Very high	95.3	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.009	5%	0.052	C	C	.	.			trans	48.7	37.7	-174.6	-51.2	-37.1	0	0	0	113.3	K230 P231 H233 A236 F505 R525 F526 D527	K230-F509 HydrophobicContact CB-CZ 4.19Å; K230-F509 HydrophobicContact CD-CE1 4.28Å; K230-F509 HydrophobicContact CD-CE2 4.18Å; K230-F509 HydrophobicContact CD-CZ 3.66Å; K230-F509 HydrophobicContact CG-CZ 3.9Å; P231-F509 WeakPolarHBondContact O-CZ 3.38Å; H233-F509 HydrophobicContact CB-CE1 3.99Å; H233-F509 HydrophobicContact CB-CZ 4.3Å; A236-F509 HydrophobicContact CB-CB 3.98Å; A236-F509 HydrophobicContact CB-CD1 3.6Å; A236-F509 HydrophobicContact CB-CD2 4.24Å; A236-F509 HydrophobicContact CB-CE1 4.16Å; A236-F509 HydrophobicContact CB-CG 3.68Å; F505-F509 HydrophobicContact CE1-CD1 4.31Å; F505-F509 WeakPolarHBondContact O-CA 3.3Å; F505-F509 WeakPolarHBondContact O-CD1 3.24Å; F505-F509 PolarHBondContact O-N 3.01Å; F509-R525 CarbonylContact O-C 3.57Å; F509-R525 WeakPolarHBondContact O-CA 3.33Å; F509-F526 HydrophobicContact CB-CB 4.37Å; F509-F526 WeakPolarHBondContact O-CD2 3.33Å; F509-F526 PolarHBondContact O-N 3.41Å; F509-D527 HydrophobicContact CD2-CB 4.06Å
510	S	95.6	Very high	95	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.007	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	134.8	-170.6	-63.6	0	0	0	0	112.6	T508 V524	T508-S510 PolarHBondContact O-N 2.88Å; T508-S510 VanDerWaalsContact O-N 3.16Å; T508-S510 PolarHBondContact O-OG 3.2Å; S510-V524 WeakPolarHBondContact CA-O 3.46Å
511	L	96.3	Very high	94.8	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.7	168.3	172.8	72.6	0	0	0	108.6	V218 L240 W243 L265 L513 V523 V524 F526	V218-L511 HydrophobicContact CB-CD1 4.12Å; L240-L511 HydrophobicContact CD1-CB 4.07Å; L240-L511 HydrophobicContact CD1-CD1 4.26Å; L240-L511 HydrophobicContact CD1-CD2 3.92Å; L240-L511 HydrophobicContact CD1-CG 4.31Å; W243-L511 HydrophobicContact CE3-CD2 3.69Å; W243-L511 HydrophobicContact CH2-CD2 4.18Å; W243-L511 HydrophobicContact CZ3-CD2 3.44Å; W243-L511 VanDerWaalsContact CZ3-CD2 3.44Å; L265-L511 HydrophobicContact CD1-CD1 4.1Å; L511-L513 HydrophobicContact CD2-CD2 3.94Å; L511-L513 HydrophobicContact CD2-CG 4.48Å; L511-L513 HydrophobicContact CG-CD2 4.26Å; L511-V523 WeakPolarHBondContact O-CA 3.34Å; L511-V524 HydrophobicContact CB-CB 4.47Å; L511-V524 PolarHBondContact N-O 3.4Å; L511-V524 PolarHBondContact O-N 3.06Å; L511-F526 HydrophobicContact CB-CE2 3.79Å; L511-F526 HydrophobicContact CB-CZ 4.48Å
512	V	97.5	Very high	94.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	133.5	174.2	-176	0	0	0	0	109.4	G216 V217 P477 V500 V502 I514 R522	G216-V512 CarbonylContact C-O 3.48Å; G216-V512 WeakPolarHBondContact CA-O 3.34Å; V217-V512 PolarHBondContact N-O 3.33Å; V217-V512 PolarHBondContact O-N 3.26Å; P477-V512 HydrophobicContact CB-CG2 3.6Å; P477-V512 HydrophobicContact CG-CG2 3.83Å; V500-V512 HydrophobicContact CG1-CG1 3.79Å; V502-V512 HydrophobicContact CG1-CG2 4.21Å; V502-V512 HydrophobicContact CG2-CB 4.34Å; V502-V512 HydrophobicContact CG2-CG2 4.1Å; V512-I514 HydrophobicContact CG1-CG1 4.36Å; V512-R522 CarbonylContact C-O 3.56Å; V512-R522 WeakPolarHBondContact CA-O 3.26Å
513	L	95.3	Very high	94.3	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.016	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.4	178.2	-62	169.9	0	0	0	108.7	F208 W214 V215 W243 L262 L511 C521 R522 V524	F208-L513 HydrophobicContact CE2-CD1 3.68Å; F208-L513 HydrophobicContact CZ-CD1 3.81Å; F208-L513 HydrophobicContact CZ-CD2 4.24Å; W214-L513 HydrophobicContact CE3-CB 3.69Å; W214-L513 HydrophobicContact CZ3-CB 4.04Å; V215-L513 CarbonylContact O-C 3.56Å; V215-L513 WeakPolarHBondContact O-CA 3.11Å; W243-L513 HydrophobicContact CH2-CD1 3.62Å; W243-L513 HydrophobicContact CH2-CD2 3.69Å; W243-L513 HydrophobicContact CH2-CG 4.25Å; W243-L513 HydrophobicContact CZ2-CD1 3.94Å; W243-L513 HydrophobicContact CZ3-CD2 4.04Å; L262-L513 HydrophobicContact CD1-CD2 4.24Å; L511-L513 HydrophobicContact CD2-CD2 3.94Å; L511-L513 HydrophobicContact CD2-CG 4.48Å; L511-L513 HydrophobicContact CG-CD2 4.26Å; L513-C521 CarbonylContact O-C 3.59Å; L513-C521 VanDerWaalsContact O-CA 3.23Å; L513-C521 WeakPolarHBondContact O-CA 3.09Å; L513-R522 HydrophobicContact CB-CB 4.31Å; L513-R522 PolarHBondContact N-O 3.29Å; L513-R522 PolarHBondContact O-N 2.91Å; L513-V524 HydrophobicContact CD1-CG2 3.61Å; L513-V524 HydrophobicContact CG-CG2 4.43Å
514	I	95.5	Very high	94.1	Very high	3 Å²	3	20.9 Å²	20.9	2%	0.015	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	121.9	-179.5	-51.5	168.9	0	0	0	109.1	W214 V215 V217 I466 V468 L498 V500 V512 D520	W214-I514 WeakPolarHBondContact CA-O 3.34Å; W214-I514 VanDerWaalsContact CE3-C 3.4Å; V215-I514 PolarHBondContact N-O 2.96Å; V215-I514 PolarHBondContact O-N 2.93Å; V217-I514 HydrophobicContact CG2-CD1 3.89Å; I466-I514 HydrophobicContact CD1-CG2 4.09Å; I466-I514 HydrophobicContact CG2-CD1 4.17Å; V468-I514 HydrophobicContact CG2-CD1 3.97Å; L498-I514 HydrophobicContact CD2-CG2 3.91Å; V500-I514 HydrophobicContact CB-CD1 4.32Å; V500-I514 HydrophobicContact CG1-CD1 4.25Å; V500-I514 HydrophobicContact CG2-CD1 3.84Å; V500-I514 HydrophobicContact CG2-CG1 4.42Å; V512-I514 HydrophobicContact CG1-CG1 4.36Å; I514-D520 WeakPolarHBondContact CA-O 3.47Å
515	N	93.1	Very high	93.9	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.016	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	123.8	175.2	-169.5	-69.5	0	0	0	110.1	S211 W214 K517 S518 L519 D520	S211-N515 PolarHBondContact O-ND2 3.46Å; W214-N515 HydrophobicContact CD2-CB 4.14Å; W214-N515 HydrophobicContact CE3-CB 3.86Å; W214-N515 VanDerWaalsContact CE3-N 3.3Å; W214-N515 HydrophobicContact CH2-CB 3.75Å; W214-N515 HydrophobicContact CZ2-CB 4.03Å; W214-N515 HydrophobicContact CZ3-CB 3.67Å; N515-K517 VanDerWaalsContact C-N 3.28Å; N515-K517 PolarHBondContact O-N 3.08Å; N515-K517 WeakPolarHBondContact OD1-CA 3.28Å; N515-K517 WeakPolarHBondContact OD1-CB 3.37Å; N515-K517 PolarHBondContact OD1-N 3.42Å; N515-S518 WeakPolarHBondContact CB-OG 3.27Å; N515-S518 VanDerWaalsContact CG-OG 3.32Å; N515-S518 PolarHBondContact OD1-N 3.4Å; N515-S518 PolarHBondContact OD1-OG 3.28Å; N515-L519 WeakPolarHBondContact O-CA 3.13Å; N515-L519 PolarHBondContact O-N 2.83Å; N515-D520 HydrophobicContact CB-CB 4.27Å; N515-D520 PolarHBondContact N-O 2.57Å
516	L	92.6	Very high	93.7	Very high	5 Å²	5	24 Å²	24	3%	0.026	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-18	-175.3	-62	175.4	0	0	0	114	P213 V215 I263 L389 R390 R392 I394 I466	P213-L516 HydrophobicContact CB-CD1 4.49Å; P213-L516 HydrophobicContact CG-CB 4.22Å; P213-L516 HydrophobicContact CG-CD1 4.44Å; P213-L516 PolarHBondContact O-N 3.22Å; V215-L516 HydrophobicContact CG2-CD1 3.86Å; V215-L516 HydrophobicContact CG2-CD2 3.68Å; V215-L516 HydrophobicContact CG2-CG 3.85Å; I263-L516 HydrophobicContact CD1-CD1 4.05Å; L389-L516 HydrophobicContact CD2-CD1 3.76Å; L389-L516 HydrophobicContact CG-CD1 3.79Å; R390-L516 HydrophobicContact CB-CD1 3.98Å; R390-L516 HydrophobicContact CG-CD1 3.99Å; R392-L516 HydrophobicContact CB-CD2 4.44Å; R392-L516 HydrophobicContact CG-CB 4.33Å; R392-L516 HydrophobicContact CG-CD2 4.32Å; R392-L516 PolarHBondContact NE-O 2.96Å; R392-L516 PolarHBondContact NH2-O 3.21Å; I394-L516 HydrophobicContact CD1-CD2 4.01Å; I466-L516 HydrophobicContact CD1-CD2 3.91Å
517	K	90.8	Very high	93.3	Very high	53 Å²	53	24.6 Å²	24.6	23%	0.23	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-56.7	178.6	-69.1	174.5	-179.9	166.8	0	110.8	Q196 I198 D259 R392 N515	Q196-K517 HydrophobicContact CB-CB 4.32Å; Q196-K517 PolarHBondContact N-O 3.32Å; I198-K517 HydrophobicContact CD1-CB 4.07Å; D259-K517 VanDerWaalsContact CG-NZ 3.33Å; D259-K517 IonicContact OD1-NZ 3.81Å; D259-K517 IonicContact OD2-NZ 3.98Å; D259-K517 PolarHBondContact OD2-NZ 3.5Å; R392-K517 PolarHBondContact NH2-O 3.43Å; N515-K517 VanDerWaalsContact C-N 3.28Å; N515-K517 PolarHBondContact O-N 3.08Å; N515-K517 WeakPolarHBondContact OD1-CA 3.28Å; N515-K517 WeakPolarHBondContact OD1-CB 3.37Å; N515-K517 PolarHBondContact OD1-N 3.42Å
518	S	90.3	Very high	92.7	Very high	24 Å²	24	24.3 Å²	24.3	17%	0.168	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-12.1	-176.2	59.7	0	0	0	0	114.7	V195 Q196 N515 D520	V195-S518 WeakPolarHBondContact CG1-O 3.49Å; Q196-S518 WeakPolarHBondContact O-CA 3.38Å; Q196-S518 WeakPolarHBondContact O-CB 3.3Å; N515-S518 WeakPolarHBondContact CB-OG 3.27Å; N515-S518 VanDerWaalsContact CG-OG 3.32Å; N515-S518 PolarHBondContact OD1-N 3.4Å; N515-S518 PolarHBondContact OD1-OG 3.28Å; S518-D520 PolarHBondContact O-N 3.47Å; S518-D520 VanDerWaalsContact O-N 3.1Å; S518-D520 VanDerWaalsContact OG-CB 3.32Å; S518-D520 WeakPolarHBondContact OG-CB 3.3Å; S518-D520 PolarHBondContact OG-N 2.7Å
519	L	92.9	Very high	91.9	Very high	14 Å²	14	26.9 Å²	26.9	7%	0.073	14%	0.143	C	C	.	.			trans	57.6	16.6	-170.2	-55.1	-173.6	0	0	0	113.4	I193 V195 I466 L498 N515	I193-L519 HydrophobicContact CG2-CD1 4.23Å; V195-L519 HydrophobicContact CG2-CD1 3.85Å; V195-L519 HydrophobicContact CG2-CG 4.27Å; I466-L519 HydrophobicContact CD1-CD2 3.74Å; I466-L519 HydrophobicContact CG1-CD2 3.95Å; L498-L519 HydrophobicContact CB-CD1 4.42Å; L498-L519 HydrophobicContact CD2-CB 4.05Å; N515-L519 WeakPolarHBondContact O-CA 3.13Å; N515-L519 PolarHBondContact O-N 2.83Å
520	D	92.1	Very high	90.8	Very high	53 Å²	53	30.3 Å²	30.3	28%	0.283	16%	0.161	S	C	.	.			trans	-62.5	137.3	171.7	-175.1	33.7	0	0	0	109.5	W214 I514 N515 S518 R522	W214-D520 HydrophobicContact CH2-CB 4.34Å; W214-D520 WeakPolarHBondContact CZ3-O 3.15Å; I514-D520 WeakPolarHBondContact CA-O 3.47Å; N515-D520 HydrophobicContact CB-CB 4.27Å; N515-D520 PolarHBondContact N-O 2.57Å; S518-D520 PolarHBondContact O-N 3.47Å; S518-D520 VanDerWaalsContact O-N 3.1Å; S518-D520 VanDerWaalsContact OG-CB 3.32Å; S518-D520 WeakPolarHBondContact OG-CB 3.3Å; S518-D520 PolarHBondContact OG-N 2.7Å; D520-R522 IonicContact OD2-CZ 3.48Å; D520-R522 IonicContact OD2-NE 2.75Å; D520-R522 PolarHBondContact OD2-NE 3.39Å; D520-R522 IonicContact OD2-NH2 3.66Å
521	C	93.8	Very high	89.5	Confident	6 Å²	6	35.6 Å²	35.6	4%	0.041	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133.5	-178.6	-69.2	0	0	0	0	109.3	W479 L513	W479-C521 HydrophobicContact CD2-CB 3.43Å; W479-C521 VanDerWaalsContact CD2-CB 3.43Å; W479-C521 HydrophobicContact CE3-CB 3.96Å; W479-C521 HydrophobicContact CG-CB 3.71Å; W479-C521 HydrophobicContact CH2-CB 4.33Å; W479-C521 HydrophobicContact CZ2-CB 3.84Å; W479-C521 VanDerWaalsContact CZ2-O 3.29Å; W479-C521 WeakPolarHBondContact CZ2-O 3.42Å; W479-C521 HydrophobicContact CZ3-CB 4.38Å; L513-C521 CarbonylContact O-C 3.59Å; L513-C521 VanDerWaalsContact O-CA 3.23Å; L513-C521 WeakPolarHBondContact O-CA 3.09Å
522	R	92.5	Very high	88.1	Confident	71 Å²	71	40.9 Å²	40.9	27%	0.268	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	156.9	-180	-60	-175.6	179.9	-156.1	3.4	110.5	V203 W214 V512 L513 D520	V203-R522 PolarHBondContact O-NH1 2.92Å; W214-R522 HydrophobicContact CH2-CG 3.95Å; W214-R522 HydrophobicContact CZ3-CG 4.17Å; V512-R522 CarbonylContact C-O 3.56Å; V512-R522 WeakPolarHBondContact CA-O 3.26Å; L513-R522 HydrophobicContact CB-CB 4.31Å; L513-R522 PolarHBondContact N-O 3.29Å; L513-R522 PolarHBondContact O-N 2.91Å; D520-R522 IonicContact OD2-CZ 3.48Å; D520-R522 IonicContact OD2-NE 2.75Å; D520-R522 PolarHBondContact OD2-NE 3.39Å; D520-R522 IonicContact OD2-NH2 3.66Å
523	V	93.3	Very high	86.2	Confident	58 Å²	58	47.1 Å²	47.1	35%	0.352	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	132.9	178.5	-177.4	0	0	0	0	109.1	P477 W479 L511	P477-V523 HydrophobicContact CB-CG2 4.04Å; P477-V523 HydrophobicContact CG-CG1 4.01Å; P477-V523 HydrophobicContact CG-CG2 3.74Å; W479-V523 HydrophobicContact CH2-CG2 3.74Å; W479-V523 HydrophobicContact CZ3-CG2 3.58Å; L511-V523 WeakPolarHBondContact O-CA 3.34Å
524	V	92.2	Very high	84.3	Confident	33 Å²	33	54.1 Å²	54.1	20%	0.2	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	123.2	167.5	-175.3	0	0	0	0	107.3	W243 S510 L511 L513 F526	W243-V524 HydrophobicContact CH2-CG2 4.43Å; W243-V524 HydrophobicContact CZ2-CG2 3.87Å; S510-V524 WeakPolarHBondContact CA-O 3.46Å; L511-V524 HydrophobicContact CB-CB 4.47Å; L511-V524 PolarHBondContact N-O 3.4Å; L511-V524 PolarHBondContact O-N 3.06Å; L513-V524 HydrophobicContact CD1-CG2 3.61Å; L513-V524 HydrophobicContact CG-CG2 4.43Å; V524-F526 HydrophobicContact CB-CE2 4.28Å; V524-F526 HydrophobicContact CB-CZ 4.09Å; V524-F526 HydrophobicContact CG1-CE1 3.76Å; V524-F526 HydrophobicContact CG1-CE2 3.98Å; V524-F526 HydrophobicContact CG1-CZ 3.44Å; V524-F526 VanDerWaalsContact CG1-CZ 3.44Å
525	R	92.8	Very high	82.2	Confident	83 Å²	83	60.6 Å²	60.6	31%	0.313	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133	-177.9	-169.9	176.4	175.2	110	-0.8	110.5	T508 F509 D527	T508-R525 PolarHBondContact O-NH1 2.99Å; F509-R525 CarbonylContact O-C 3.57Å; F509-R525 WeakPolarHBondContact O-CA 3.33Å; R525-D527 HydrophobicContact CG-CB 4Å; R525-D527 IonicContact CZ-OD2 2.71Å; R525-D527 IonicContact NE-OD2 3.47Å; R525-D527 PolarHBondContact NE-OD2 2.94Å; R525-D527 IonicContact NH2-OD2 3.01Å; R525-D527 PolarHBondContact NH2-OD2 3.16Å
526	F	92.9	Very high	80	Confident	16 Å²	16	70.7 Å²	70.7	7%	0.07	35%	0.353	C	S	.	.			trans	-110.9	49.9	-175.7	-54.3	-80.7	0	0	0	111.1	A236 L239 L240 W243 F505 F509 L511 V524	A236-F526 HydrophobicContact CB-CB 4.12Å; A236-F526 WeakPolarHBondContact CB-O 3.4Å; L239-F526 HydrophobicContact CB-CB 4.26Å; L239-F526 HydrophobicContact CB-CD1 3.73Å; L239-F526 HydrophobicContact CB-CG 4.33Å; L240-F526 HydrophobicContact CB-CD2 4.21Å; L240-F526 HydrophobicContact CB-CE2 4.1Å; L240-F526 HydrophobicContact CB-CZ 4.28Å; L240-F526 HydrophobicContact CD1-CD2 4.35Å; L240-F526 HydrophobicContact CD1-CE2 3.53Å; L240-F526 HydrophobicContact CD1-CZ 3.76Å; L240-F526 HydrophobicContact CG-CE2 4.39Å; W243-F526 HydrophobicContact CB-CE1 3.67Å; W243-F526 HydrophobicContact CB-CZ 4Å; W243-F526 HydrophobicContact CD2-CZ 4.35Å; W243-F526 AromaticContact CG-CE1 3.93Å; W243-F526 HydrophobicContact CG-CE1 3.93Å; W243-F526 HydrophobicContact CG-CZ 4.04Å; F505-F526 AromaticContact CE2-CD2 3.89Å; F505-F526 HydrophobicContact CE2-CD2 3.89Å; F505-F526 HydrophobicContact CE2-CE2 4.48Å; F505-F526 HydrophobicContact CZ-CD2 4.39Å; F509-F526 HydrophobicContact CB-CB 4.37Å; F509-F526 WeakPolarHBondContact O-CD2 3.33Å; F509-F526 PolarHBondContact O-N 3.41Å; L511-F526 HydrophobicContact CB-CE2 3.79Å; L511-F526 HydrophobicContact CB-CZ 4.48Å; V524-F526 HydrophobicContact CB-CE2 4.28Å; V524-F526 HydrophobicContact CB-CZ 4.09Å; V524-F526 HydrophobicContact CG1-CE1 3.76Å; V524-F526 HydrophobicContact CG1-CE2 3.98Å; V524-F526 HydrophobicContact CG1-CZ 3.44Å; V524-F526 VanDerWaalsContact CG1-CZ 3.44Å
527	D	87.2	Confident	77.5	Confident	25 Å²	25	84 Å²	84	13%	0.134	40%	0.402	C	S	.	.			trans	-106.9	104.6	-176.9	-166	-13.9	0	0	0	109.9	F509 R525 S529 L530	F509-D527 HydrophobicContact CD2-CB 4.06Å; R525-D527 HydrophobicContact CG-CB 4Å; R525-D527 IonicContact CZ-OD2 2.71Å; R525-D527 IonicContact NE-OD2 3.47Å; R525-D527 PolarHBondContact NE-OD2 2.94Å; R525-D527 IonicContact NH2-OD2 3.01Å; R525-D527 PolarHBondContact NH2-OD2 3.16Å; D527-S529 VanDerWaalsContact CG-OG 3.28Å; D527-S529 PolarHBondContact O-N 3.46Å; D527-S529 WeakPolarHBondContact OD1-CB 3.43Å; D527-S529 PolarHBondContact OD1-N 3.41Å; D527-S529 PolarHBondContact OD1-OG 2.94Å; D527-L530 HydrophobicContact CB-CD1 4Å; D527-L530 HydrophobicContact CB-CG 4.11Å; D527-L530 PolarHBondContact O-N 3.43Å
528	S	78.8	Confident	76.8	Confident	53 Å²	53	85.5 Å²	85.5	37%	0.371	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-20.7	-178.6	61.8	0	0	0	0	113	L530 L531	S528-L530 PolarHBondContact O-N 2.79Å; S528-L531 WeakPolarHBondContact O-CB 2.94Å; S528-L531 PolarHBondContact O-N 3.36Å
529	S	79.2	Confident	76.1	Confident	58 Å²	58	88.7 Å²	88.7	41%	0.406	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-24.3	179.5	66.7	0	0	0	0	112.9	D527 L531 D532	D527-S529 VanDerWaalsContact CG-OG 3.28Å; D527-S529 PolarHBondContact O-N 3.46Å; D527-S529 WeakPolarHBondContact OD1-CB 3.43Å; D527-S529 PolarHBondContact OD1-N 3.41Å; D527-S529 PolarHBondContact OD1-OG 2.94Å; S529-L531 VanDerWaalsContact C-N 3.25Å; S529-L531 PolarHBondContact O-N 3.23Å; S529-D532 PolarHBondContact O-N 2.87Å
530	L	72.7	Confident	75.1	Confident	74 Å²	74	92.9 Å²	92.9	39%	0.387	44%	0.443	S	S	.	.	H	α-helix	trans	-67.6	-25.6	176.3	-62.5	177	0	0	0	112.8	D527 S528 D532 E533 E534	D527-L530 HydrophobicContact CB-CD1 4Å; D527-L530 HydrophobicContact CB-CG 4.11Å; D527-L530 PolarHBondContact O-N 3.43Å; S528-L530 PolarHBondContact O-N 2.79Å; L530-D532 VanDerWaalsContact C-N 3.28Å; L530-D532 PolarHBondContact O-N 3.04Å; L530-E533 PolarHBondContact O-N 2.62Å; L530-E534 PolarHBondContact O-N 2.79Å
531	L	68.6	Low	74.1	Confident	113 Å²	113	95.2 Å²	95.2	59%	0.592	45%	0.452	S	S	*	.	H	α-helix	trans	-70.6	-26.6	176.7	-63.7	172.1	0	0	0	112.3	S528 S529 N535	S528-L531 WeakPolarHBondContact O-CB 2.94Å; S528-L531 PolarHBondContact O-N 3.36Å; S529-L531 VanDerWaalsContact C-N 3.25Å; S529-L531 PolarHBondContact O-N 3.23Å; L531-N535 PolarHBondContact O-ND2 3.43Å
532	D	65	Low	72.9	Confident	110 Å²	110	100.8 Å²	100.8	59%	0.588	48%	0.478	S	S	*	.	H	α-helix	trans	-75.2	-37.6	177.2	-67.4	-30.1	0	0	0	110.5	S529 L530 N535 Y536	S529-D532 PolarHBondContact O-N 2.87Å; L530-D532 VanDerWaalsContact C-N 3.28Å; L530-D532 PolarHBondContact O-N 3.04Å; D532-N535 PolarHBondContact O-N 3.28Å; D532-Y536 WeakPolarHBondContact O-CD2 3.4Å
533	E	59.6	Low	71.6	Confident	132 Å²	132	102.8 Å²	102.8	62%	0.617	49%	0.492	S	S	*	.	H	α-helix	trans	-68.8	-36.8	-178.9	-67.7	-167.9	164.6	0	0	113.7	L530 N535 Y536	L530-E533 PolarHBondContact O-N 2.62Å; E533-N535 VanDerWaalsContact C-N 3.33Å; E533-N535 PolarHBondContact O-N 3.29Å; E533-Y536 PolarHBondContact O-N 2.96Å
534	E	55.2	Low	70.1	Confident	150 Å²	150	106 Å²	106	70%	0.701	50%	0.502	S	S	*	.	H	α-helix	trans	-70.6	-26.9	178.2	-74.3	-171.4	164.9	0	0	112.9	L530 Y536 R537	L530-E534 PolarHBondContact O-N 2.79Å; E534-Y536 PolarHBondContact O-N 3.02Å; E534-R537 PolarHBondContact O-N 3.38Å
535	N	50.1	Low	68.4	Low	138 Å²	138	111.6 Å²	111.6	74%	0.738	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-9.3	175.8	-76.8	-53.8	0	0	0	113.8	L531 D532 E533	L531-N535 PolarHBondContact O-ND2 3.43Å; D532-N535 PolarHBondContact O-N 3.28Å; E533-N535 VanDerWaalsContact C-N 3.33Å; E533-N535 PolarHBondContact O-N 3.29Å
536	Y	46.9	Very low	66.3	Low	216 Å²	216	114 Å²	114	85%	0.847	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	1	175.5	-83	-79	0	0	0	114.1	D532 E533 E534	D532-Y536 WeakPolarHBondContact O-CD2 3.4Å; E533-Y536 PolarHBondContact O-N 2.96Å; E534-Y536 PolarHBondContact O-N 3.02Å
537	R	39.7	Very low	63.9	Low	283 Å²	283	122.9 Å²	122.9	100%	1.068	59%	0.586	S	S	*	*			trans	-105.5	0	169.5	-70.1	-172.4	179.3	-179.1	3.6	110.6	E534	E534-R537 PolarHBondContact O-N 3.38Å

Retrieved 537 of 537 residues in 1072.4 ms (Link to these results)

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