A0A077Z4V0_TRITR Loading...

DNA repair and recombination protein RAD54-like

Involved in mitotic DNA repair and meiotic recombination. Functions in the recombinational DNA repair pathway. Essential for interhomolog gene conversion (GC), but may have a less important role in intersister GC than spn-A/Rad51. In the presence of DNA, spn-A/Rad51 enhances the ATPase activity of okr/Rad54.

AlphaFold DB , UniProt , Accession A0A077Z4V0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 571 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	62.8	Low	83.3	Confident	43 Å²	43	36.4 Å²	36.4	21%	0.212	22%	0.22	C	C	.	.				0	148.9	0	-82.2	-88.5	-177.4	0	0	109.2	E106 Q422 A425	M1-E106 VanDerWaalsContact CE-OE1 3.27Å; M1-E106 WeakPolarHBondContact CE-OE1 3.37Å; M1-Q422 VanDerWaalsContact CE-CD 3.41Å; M1-Q422 HydrophobicContact CE-CG 3.74Å; M1-Q422 HydrophobicContact CG-CG 3.84Å; M1-Q422 HydrophobicContact SD-CG 3.77Å; M1-A425 HydrophobicContact CB-CB 4.5Å
2	G	69.1	Low	84	Confident	14 Å²	14	39.4 Å²	39.4	14%	0.144	23%	0.234	C	C	.	.			trans	96.7	-28.9	176.4	0	0	0	0	0	116.2	G4 R429	G2-G4 PolarHBondContact O-N 3.28Å; G2-R429 PolarHBondContact O-NH2 3.43Å; G2-R429 VanDerWaalsContact O-NH2 3.1Å
3	L	78.1	Confident	84.5	Confident	38 Å²	38	36.9 Å²	36.9	20%	0.199	22%	0.219	C	C	.	.	S	Bend	trans	-71	15.3	-174	-56.9	178.1	0	0	0	117	Q8 R204 I209	L3-Q8 PolarHBondContact O-NE2 2.63Å; L3-R204 HydrophobicContact CD1-CB 3.64Å; L3-R204 VanDerWaalsContact CD1-O 3.3Å; L3-R204 WeakPolarHBondContact CD1-O 3.28Å; L3-I209 HydrophobicContact CD2-CB 4.29Å; L3-I209 HydrophobicContact CD2-CD1 3.66Å; L3-I209 HydrophobicContact CD2-CG1 3.64Å; L3-I209 HydrophobicContact CD2-CG2 3.72Å
4	G	82	Confident	84.6	Confident	22 Å²	22	35.5 Å²	35.5	23%	0.227	21%	0.21	C	C	.	.			trans	73	42.4	177.2	0	0	0	0	0	115.6	G2 S6 V7 Q8	G2-G4 PolarHBondContact O-N 3.28Å; G4-S6 PolarHBondContact O-N 3.4Å; G4-V7 PolarHBondContact O-N 3.16Å; G4-Q8 PolarHBondContact O-N 3.26Å; G4-Q8 VanDerWaalsContact O-N 3.14Å
5	K	87	Confident	84.7	Confident	44 Å²	44	39.4 Å²	39.4	19%	0.191	23%	0.234	C	C	.	.	H	α-helix	trans	-47.6	-46	175.8	-57.4	-178.7	-55.7	-163.3	0	112.2	V7 Q8 C9 E106	K5-V7 PolarHBondContact O-N 3.49Å; K5-Q8 PolarHBondContact O-N 2.91Å; K5-C9 PolarHBondContact O-N 2.59Å; K5-C9 PolarHBondContact O-SG 2.82Å; K5-E106 IonicContact NZ-OE1 2.77Å; K5-E106 PolarHBondContact NZ-OE1 2.76Å
6	S	86.6	Confident	84.9	Confident	20 Å²	20	39.1 Å²	39.1	14%	0.14	23%	0.231	C	C	.	.	H	α-helix	trans	-62.3	-43	-179.6	-51.2	0	0	0	0	112.4	G4 C9 V10	G4-S6 PolarHBondContact O-N 3.4Å; S6-C9 PolarHBondContact O-N 3.25Å; S6-V10 VanDerWaalsContact O-CG2 3.28Å; S6-V10 WeakPolarHBondContact O-CG2 3.17Å; S6-V10 PolarHBondContact O-N 3.02Å
7	V	87.7	Confident	84.9	Confident	52 Å²	52	37.6 Å²	37.6	32%	0.315	22%	0.222	S	C	.	.	H	α-helix	trans	-63.1	-46.1	179.1	179.6	0	0	0	0	110.9	G4 K5 C9 V10 A11 W48	G4-V7 PolarHBondContact O-N 3.16Å; K5-V7 PolarHBondContact O-N 3.49Å; V7-C9 VanDerWaalsContact C-N 3.32Å; V7-C9 PolarHBondContact O-N 2.9Å; V7-V10 PolarHBondContact O-N 3.34Å; V7-A11 WeakPolarHBondContact O-CB 3.38Å; V7-A11 PolarHBondContact O-N 3.03Å; V7-W48 HydrophobicContact CG1-CZ2 4.05Å; V7-W48 HydrophobicContact CG2-CZ2 3.88Å
8	Q	91.2	Very high	84.4	Confident	99 Å²	99	38.9 Å²	38.9	46%	0.463	22%	0.224	S	C	.	.	H	α-helix	trans	-60	-43.2	177.8	-66.5	176	7.3	0	0	111.6	L3 G4 K5 A11 L12	L3-Q8 PolarHBondContact O-NE2 2.63Å; G4-Q8 PolarHBondContact O-N 3.26Å; G4-Q8 VanDerWaalsContact O-N 3.14Å; K5-Q8 PolarHBondContact O-N 2.91Å; Q8-A11 PolarHBondContact O-N 2.96Å; Q8-L12 WeakPolarHBondContact O-CB 3.34Å; Q8-L12 PolarHBondContact O-N 3.12Å
9	C	92.3	Very high	83.3	Confident	9 Å²	9	44.2 Å²	44.2	6%	0.061	24%	0.24	C	C	.	.	H	α-helix	trans	-66.5	-43	176.8	-74.6	0	0	0	0	113.3	K5 S6 V7 A11 L12 V13 W41 L132	K5-C9 PolarHBondContact O-N 2.59Å; K5-C9 PolarHBondContact O-SG 2.82Å; S6-C9 PolarHBondContact O-N 3.25Å; V7-C9 VanDerWaalsContact C-N 3.32Å; V7-C9 PolarHBondContact O-N 2.9Å; C9-A11 VanDerWaalsContact C-N 3.34Å; C9-L12 PolarHBondContact O-N 3.22Å; C9-V13 WeakPolarHBondContact O-CB 3.21Å; C9-V13 WeakPolarHBondContact O-CG2 3.39Å; C9-V13 PolarHBondContact O-N 2.7Å; C9-W41 HydrophobicContact CB-CH2 3.87Å; C9-W41 HydrophobicContact CB-CZ3 4.36Å; C9-L132 HydrophobicContact CB-CD1 4.29Å; C9-L132 WeakPolarHBondContact SG-CD1 3.49Å; C9-L132 WeakPolarHBondContact SG-CD2 3.28Å
10	V	89.9	Confident	81.7	Confident	7 Å²	7	49.9 Å²	49.9	4%	0.042	28%	0.275	C	S	.	.	H	α-helix	trans	-63.1	-44.1	177.2	174.9	0	0	0	0	110.3	S6 V7 L12 V13 L14 W41 I45 W48	S6-V10 VanDerWaalsContact O-CG2 3.28Å; S6-V10 WeakPolarHBondContact O-CG2 3.17Å; S6-V10 PolarHBondContact O-N 3.02Å; V7-V10 PolarHBondContact O-N 3.34Å; V10-L12 VanDerWaalsContact C-N 3.33Å; V10-L12 PolarHBondContact O-N 2.88Å; V10-V13 PolarHBondContact O-N 3.2Å; V10-L14 HydrophobicContact CG1-CD1 3.79Å; V10-L14 HydrophobicContact CG1-CG 4.17Å; V10-L14 WeakPolarHBondContact O-CB 3.3Å; V10-L14 VanDerWaalsContact O-CG 3.28Å; V10-L14 WeakPolarHBondContact O-CG 3.4Å; V10-L14 PolarHBondContact O-N 3.19Å; V10-W41 HydrophobicContact CG2-CE3 4.47Å; V10-W41 HydrophobicContact CG2-CZ3 3.94Å; V10-I45 HydrophobicContact CG2-CG1 3.81Å; V10-W48 HydrophobicContact CG1-CB 3.79Å; V10-W48 HydrophobicContact CG1-CG 4.37Å
11	A	89.9	Confident	80.7	Confident	52 Å²	52	51.3 Å²	51.3	43%	0.43	30%	0.301	S	S	.	.	H	α-helix	trans	-58.3	-44.5	175.9	0	0	0	0	0	111.9	V7 Q8 C9 T15	V7-A11 WeakPolarHBondContact O-CB 3.38Å; V7-A11 PolarHBondContact O-N 3.03Å; Q8-A11 PolarHBondContact O-N 2.96Å; C9-A11 VanDerWaalsContact C-N 3.34Å; A11-T15 WeakPolarHBondContact O-CB 3.39Å; A11-T15 PolarHBondContact O-N 3.21Å; A11-T15 PolarHBondContact O-OG1 3.13Å
12	L	91.5	Very high	80.8	Confident	73 Å²	73	53.3 Å²	53.3	38%	0.382	32%	0.316	S	S	.	.	H	α-helix	trans	-61.8	-49.6	176.1	178.6	66.2	0	0	0	112	Q8 C9 V10 L14 T15 L16 I130	Q8-L12 WeakPolarHBondContact O-CB 3.34Å; Q8-L12 PolarHBondContact O-N 3.12Å; C9-L12 PolarHBondContact O-N 3.22Å; V10-L12 VanDerWaalsContact C-N 3.33Å; V10-L12 PolarHBondContact O-N 2.88Å; L12-L14 PolarHBondContact O-N 3.47Å; L12-T15 PolarHBondContact O-N 3.49Å; L12-L16 HydrophobicContact CD1-CD1 3.98Å; L12-L16 HydrophobicContact CD1-CG 4.12Å; L12-L16 HydrophobicContact CG-CD1 3.94Å; L12-L16 HydrophobicContact CG-CG 4.41Å; L12-L16 WeakPolarHBondContact O-CG 3.48Å; L12-L16 PolarHBondContact O-N 2.86Å; L12-I130 HydrophobicContact CD2-CD1 3.26Å
13	V	89.9	Confident	80.9	Confident	7 Å²	7	60.9 Å²	60.9	4%	0.042	35%	0.348	C	S	.	.	H	α-helix	trans	-58.1	-49.3	179.8	166	0	0	0	0	110.8	C9 V10 T15 L16 M17 V29 I79 L101 I103	C9-V13 WeakPolarHBondContact O-CB 3.21Å; C9-V13 WeakPolarHBondContact O-CG2 3.39Å; C9-V13 PolarHBondContact O-N 2.7Å; V10-V13 PolarHBondContact O-N 3.2Å; V13-T15 VanDerWaalsContact C-N 3.26Å; V13-T15 PolarHBondContact O-N 3.42Å; V13-L16 PolarHBondContact O-N 3.27Å; V13-M17 HydrophobicContact CG1-CG 4.35Å; V13-M17 HydrophobicContact CG1-SD 3.68Å; V13-M17 WeakPolarHBondContact O-CB 3.43Å; V13-M17 VanDerWaalsContact O-CG 3.26Å; V13-M17 WeakPolarHBondContact O-CG 3.26Å; V13-M17 PolarHBondContact O-N 3.04Å; V13-V29 HydrophobicContact CG1-CG2 3.97Å; V13-V29 HydrophobicContact CG2-CG1 4.25Å; V13-I79 HydrophobicContact CG1-CD1 3.79Å; V13-I79 HydrophobicContact CG1-CG1 4.15Å; V13-L101 HydrophobicContact CG2-CD2 4.06Å; V13-I103 HydrophobicContact CG2-CD1 3.45Å; V13-I103 VanDerWaalsContact CG2-CD1 3.45Å
14	L	86.1	Confident	80.9	Confident	17 Å²	17	61 Å²	61	9%	0.089	35%	0.351	C	S	.	.	H	α-helix	trans	-62.4	-36.4	179.8	-66.2	176.9	0	0	0	111.9	V10 L12 K18 T49 A57	V10-L14 HydrophobicContact CG1-CD1 3.79Å; V10-L14 HydrophobicContact CG1-CG 4.17Å; V10-L14 WeakPolarHBondContact O-CB 3.3Å; V10-L14 VanDerWaalsContact O-CG 3.28Å; V10-L14 WeakPolarHBondContact O-CG 3.4Å; V10-L14 PolarHBondContact O-N 3.19Å; L12-L14 PolarHBondContact O-N 3.47Å; L14-K18 WeakPolarHBondContact O-CB 3.45Å; L14-K18 WeakPolarHBondContact O-CG 3.32Å; L14-K18 PolarHBondContact O-N 3.31Å; L14-T49 HydrophobicContact CD1-CG2 4.3Å; L14-T49 HydrophobicContact CD2-CG2 3.81Å; L14-A57 HydrophobicContact CD2-CB 4.49Å
15	T	86.8	Confident	80.9	Confident	94 Å²	94	63.7 Å²	63.7	58%	0.577	36%	0.36	S	S	*	.	H	α-helix	trans	-69.1	-41.2	176.1	-54.1	0	0	0	0	111.9	A11 L12 V13 K18	A11-T15 WeakPolarHBondContact O-CB 3.39Å; A11-T15 PolarHBondContact O-N 3.21Å; A11-T15 PolarHBondContact O-OG1 3.13Å; L12-T15 PolarHBondContact O-N 3.49Å; V13-T15 VanDerWaalsContact C-N 3.26Å; V13-T15 PolarHBondContact O-N 3.42Å; T15-K18 CarbonylContact O-C 3.58Å; T15-K18 VanDerWaalsContact O-C 3.27Å; T15-K18 PolarHBondContact O-N 3.21Å
16	L	87.8	Confident	80.9	Confident	34 Å²	34	61.7 Å²	61.7	18%	0.178	35%	0.351	C	S	.	.	H	α-helix	trans	-70.4	-33.6	179.2	-69.2	174.8	0	0	0	112.6	L12 V13 K18 L25 V26 L101	L12-L16 HydrophobicContact CD1-CD1 3.98Å; L12-L16 HydrophobicContact CD1-CG 4.12Å; L12-L16 HydrophobicContact CG-CD1 3.94Å; L12-L16 HydrophobicContact CG-CG 4.41Å; L12-L16 WeakPolarHBondContact O-CG 3.48Å; L12-L16 PolarHBondContact O-N 2.86Å; V13-L16 PolarHBondContact O-N 3.27Å; L16-K18 VanDerWaalsContact C-N 3.28Å; L16-L25 HydrophobicContact CD2-CB 4.42Å; L16-L25 HydrophobicContact CD2-CD1 4.05Å; L16-L25 PolarHBondContact O-N 3.18Å; L16-L25 VanDerWaalsContact O-N 3.12Å; L16-V26 HydrophobicContact CB-CB 4.09Å; L16-V26 HydrophobicContact CB-CG2 3.89Å; L16-V26 HydrophobicContact CD1-CG2 4.12Å; L16-L101 HydrophobicContact CD1-CD2 4.18Å
17	M	84.2	Confident	81	Confident	15 Å²	15	62.6 Å²	62.6	7%	0.074	36%	0.355	C	S	.	.	H	α-helix	trans	-76.2	-16.1	173.2	-64.7	179.6	81.5	0	0	112.6	V13 P24 V26 V29 A57 N77 I79	V13-M17 HydrophobicContact CG1-CG 4.35Å; V13-M17 HydrophobicContact CG1-SD 3.68Å; V13-M17 WeakPolarHBondContact O-CB 3.43Å; V13-M17 VanDerWaalsContact O-CG 3.26Å; V13-M17 WeakPolarHBondContact O-CG 3.26Å; V13-M17 PolarHBondContact O-N 3.04Å; M17-P24 WeakPolarHBondContact O-CB 3.48Å; M17-V26 WeakPolarHBondContact CG-O 3.37Å; M17-V29 HydrophobicContact SD-CG2 4.32Å; M17-A57 HydrophobicContact CE-CB 3.88Å; M17-A57 HydrophobicContact SD-CB 4.16Å; M17-N77 VanDerWaalsContact CE-CA 3.42Å; M17-N77 HydrophobicContact CE-CB 3.98Å; M17-I79 HydrophobicContact CE-CG1 4.36Å; M17-I79 HydrophobicContact SD-CD1 4.13Å; M17-I79 HydrophobicContact SD-CG1 3.91Å
18	K	75.8	Confident	81	Confident	60 Å²	60	62.2 Å²	62.2	26%	0.261	35%	0.348	S	S	.	.			trans	-119.7	105	178.3	-71	-175.3	177	179.6	0	111.6	L14 T15 L16 D52 R54 S55	L14-K18 WeakPolarHBondContact O-CB 3.45Å; L14-K18 WeakPolarHBondContact O-CG 3.32Å; L14-K18 PolarHBondContact O-N 3.31Å; T15-K18 CarbonylContact O-C 3.58Å; T15-K18 VanDerWaalsContact O-C 3.27Å; T15-K18 PolarHBondContact O-N 3.21Å; L16-K18 VanDerWaalsContact C-N 3.28Å; K18-D52 IonicContact NZ-OD1 2.59Å; K18-D52 PolarHBondContact NZ-OD1 3.33Å; K18-D52 IonicContact NZ-OD2 3.07Å; K18-D52 PolarHBondContact NZ-OD2 3.45Å; K18-R54 VanDerWaalsContact NZ-C 3.32Å; K18-S55 VanDerWaalsContact NZ-CA 3.28Å; K18-S55 PolarHBondContact NZ-OG 3.26Å
19	R	63.2	Low	81.1	Confident	140 Å²	140	57.5 Å²	57.5	53%	0.528	33%	0.326	S	S	.	.			trans	-111.4	121.3	155.1	-80.8	179	135	-178.9	-1.1	109.7	G21 T22	R19-G21 PolarHBondContact O-N 3.08Å; R19-T22 WeakPolarHBondContact CB-OG1 3.28Å; R19-T22 WeakPolarHBondContact CD-OG1 3.31Å
20	V	53	Low	81.2	Confident	157 Å²	157	57.1 Å²	57.1	95%	0.952	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	113.3	170.1	-178.2	0	0	0	0	106.8
21	G	59.5	Low	81.4	Confident	80 Å²	80	57 Å²	57	83%	0.825	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.3	-2.2	175.9	0	0	0	0	0	116.9	R19	R19-G21 PolarHBondContact O-N 3.08Å
22	T	64.9	Low	81.6	Confident	85 Å²	85	54.5 Å²	54.5	52%	0.521	30%	0.301	S	S	.	.	S	Bend	trans	-144.8	165.4	175.5	57.1	0	0	0	0	111.5	R19	R19-T22 WeakPolarHBondContact CB-OG1 3.28Å; R19-T22 WeakPolarHBondContact CD-OG1 3.31Å
23	Q	72.1	Confident	81.5	Confident	173 Å²	173	51 Å²	51	81%	0.808	28%	0.283	S	S	*	.			trans	-59.7	145.1	176.3	-67.3	-159.3	1.6	0	0	112.4
24	P	77	Confident	81.3	Confident	42 Å²	42	50.8 Å²	50.8	27%	0.273	28%	0.282	S	S	.	.			trans	-62.3	137.9	176.2	26.2	-34.4	0	0	0	111	M17 V26 N27	M17-P24 WeakPolarHBondContact O-CB 3.48Å; P24-V26 VanDerWaalsContact C-N 3.26Å; P24-V26 PolarHBondContact O-N 3.2Å; P24-N27 VanDerWaalsContact CG-OD1 3.26Å; P24-N27 WeakPolarHBondContact CG-OD1 3.5Å
25	L	83.5	Confident	81	Confident	78 Å²	78	53.4 Å²	53.4	41%	0.408	30%	0.301	S	S	.	.	S	Bend	trans	-73.2	-22.8	179	-83.6	158.3	0	0	0	112.6	L16	L16-L25 HydrophobicContact CD2-CB 4.42Å; L16-L25 HydrophobicContact CD2-CD1 4.05Å; L16-L25 PolarHBondContact O-N 3.18Å; L16-L25 VanDerWaalsContact O-N 3.12Å
26	V	86.9	Confident	80.4	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.006	29%	0.291	C	S	.	.			trans	-141.9	124.3	-175.6	176.1	0	0	0	0	106.8	L16 M17 P24 V29 D100 L101 K128	L16-V26 HydrophobicContact CB-CB 4.09Å; L16-V26 HydrophobicContact CB-CG2 3.89Å; L16-V26 HydrophobicContact CD1-CG2 4.12Å; M17-V26 WeakPolarHBondContact CG-O 3.37Å; P24-V26 VanDerWaalsContact C-N 3.26Å; P24-V26 PolarHBondContact O-N 3.2Å; V26-V29 HydrophobicContact CG1-CG2 3.52Å; V26-D100 HydrophobicContact CB-CB 4.3Å; V26-D100 HydrophobicContact CG1-CB 3.88Å; V26-D100 HydrophobicContact CG2-CB 4.46Å; V26-L101 HydrophobicContact CG1-CB 3.7Å; V26-L101 HydrophobicContact CG1-CD2 4.39Å; V26-L101 HydrophobicContact CG2-CB 4.31Å; V26-K128 HydrophobicContact CG2-CD 4.31Å
27	N	86.8	Confident	80.1	Confident	40 Å²	40	50.3 Å²	50.3	21%	0.214	29%	0.285	C	S	.	.	S	Bend	trans	-106.7	-34.3	175.9	-74.7	-70.7	0	0	0	111.8	P24 N77 S78 D100	P24-N27 VanDerWaalsContact CG-OD1 3.26Å; P24-N27 WeakPolarHBondContact CG-OD1 3.5Å; N27-N77 CarbonylContact O-C 3.27Å; N27-N77 WeakPolarHBondContact O-CA 3.33Å; N27-N77 PolarHBondContact O-N 3.18Å; N27-N77 PolarHBondContact OD1-OD1 3.32Å; N27-S78 PolarHBondContact O-N 3.08Å; N27-D100 WeakPolarHBondContact CA-OD2 3.29Å; N27-D100 WeakPolarHBondContact CB-OD2 3.28Å; N27-D100 PolarHBondContact N-OD2 3.07Å
28	R	89.3	Confident	80.2	Confident	44 Å²	44	49.8 Å²	49.8	17%	0.166	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	120.5	-178.1	-80.1	178.2	-74.8	171.8	-6.5	111.5	S78 C97 A98 D100 L101	R28-S78 WeakPolarHBondContact CA-O 3.44Å; R28-C97 PolarHBondContact NH1-SG 3.27Å; R28-A98 PolarHBondContact NE-O 3.46Å; R28-A98 VanDerWaalsContact NH1-N 3.13Å; R28-A98 PolarHBondContact NH1-O 3.32Å; R28-A98 VanDerWaalsContact NH2-CB 3.25Å; R28-A98 PolarHBondContact NH2-O 3.49Å; R28-A98 VanDerWaalsContact NH2-O 3.11Å; R28-D100 PolarHBondContact N-OD2 3.18Å; R28-D100 PolarHBondContact O-N 2.79Å; R28-L101 PolarHBondContact O-N 2.95Å
29	V	92.6	Very high	80.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.3	178.1	-175.4	0	0	0	0	109.3	V13 M17 V26 S78 I79 L80 L101 I103	V13-V29 HydrophobicContact CG1-CG2 3.97Å; V13-V29 HydrophobicContact CG2-CG1 4.25Å; M17-V29 HydrophobicContact SD-CG2 4.32Å; V26-V29 HydrophobicContact CG1-CG2 3.52Å; V29-S78 PolarHBondContact N-O 3.24Å; V29-I79 HydrophobicContact CB-CG1 4.44Å; V29-L80 PolarHBondContact O-N 2.99Å; V29-L101 WeakPolarHBondContact CA-O 3.48Å; V29-L101 HydrophobicContact CG1-CB 4.41Å; V29-L101 HydrophobicContact CG1-CD2 4.19Å; V29-L101 HydrophobicContact CG1-CG 4.28Å; V29-L101 HydrophobicContact CG2-CB 4.25Å; V29-L101 HydrophobicContact CG2-CD2 4.22Å; V29-I103 HydrophobicContact CG1-CD1 3.92Å; V29-I103 HydrophobicContact CG1-CG1 4.25Å
30	L	94	Very high	81.3	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	114.8	167.7	178.8	61.1	0	0	0	109.3	L32 L80 T82 F87 F94 I99 L101 L102 I103 L124	L30-L32 HydrophobicContact CD1-CD2 4.03Å; L30-L32 HydrophobicContact CD2-CD2 4.21Å; L30-L32 HydrophobicContact CD2-CG 4.46Å; L30-L32 HydrophobicContact CG-CD2 4.05Å; L30-L32 HydrophobicContact CG-CG 4.26Å; L30-L80 HydrophobicContact CD1-CB 3.97Å; L30-T82 HydrophobicContact CD1-CG2 3.83Å; L30-F87 HydrophobicContact CD2-CD2 4.28Å; L30-F87 HydrophobicContact CD2-CE2 4.32Å; L30-F94 HydrophobicContact CD1-CD1 4.15Å; L30-F94 HydrophobicContact CD1-CE1 3.91Å; L30-F94 HydrophobicContact CD2-CD1 4.31Å; L30-I99 HydrophobicContact CB-CD1 3.96Å; L30-I99 HydrophobicContact CB-CG1 4.25Å; L30-I99 HydrophobicContact CB-CG2 3.8Å; L30-I99 HydrophobicContact CD2-CD1 3.67Å; L30-I99 HydrophobicContact CG-CD1 4.39Å; L30-L101 PolarHBondContact N-O 3.2Å; L30-L102 HydrophobicContact CB-CD1 4.3Å; L30-L102 HydrophobicContact CD2-CD1 4Å; L30-L102 HydrophobicContact CG-CD1 4.12Å; L30-I103 PolarHBondContact O-N 3.18Å; L30-L124 HydrophobicContact CD2-CD1 4.46Å
31	L	95.1	Very high	83	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	112.8	173.5	-161	154.5	0	0	0	109.8	A33 W41 L80 L81 T82 I103	L31-A33 HydrophobicContact CD2-CB 3.97Å; L31-W41 HydrophobicContact CD1-CD2 3.93Å; L31-W41 HydrophobicContact CD1-CE3 3.55Å; L31-W41 HydrophobicContact CD1-CH2 3.89Å; L31-W41 HydrophobicContact CD1-CZ2 4.28Å; L31-W41 HydrophobicContact CD1-CZ3 3.52Å; L31-W41 HydrophobicContact CD2-CD2 3.91Å; L31-W41 HydrophobicContact CD2-CE3 4.39Å; L31-W41 HydrophobicContact CD2-CG 4.06Å; L31-W41 HydrophobicContact CD2-CZ2 4.45Å; L31-L80 PolarHBondContact N-O 2.79Å; L31-L81 HydrophobicContact CB-CD1 4.16Å; L31-L81 HydrophobicContact CD2-CD1 3.46Å; L31-L81 VanDerWaalsContact CD2-CD1 3.46Å; L31-L81 HydrophobicContact CG-CD1 4.27Å; L31-T82 PolarHBondContact O-N 3.48Å; L31-I103 CarbonylContact C-O 3.59Å; L31-I103 WeakPolarHBondContact CA-O 3.28Å; L31-I103 HydrophobicContact CB-CB 4.49Å; L31-I103 HydrophobicContact CD1-CB 4.49Å; L31-I103 HydrophobicContact CD1-CD1 4.5Å; L31-I103 HydrophobicContact CD1-CG2 4.29Å; L31-I103 HydrophobicContact CG-CB 4.09Å; L31-I103 HydrophobicContact CG-CG2 4.09Å
32	L	93.9	Very high	84.3	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126	172.5	-58.8	-176.5	0	0	0	109.7	L30 T82 Y84 F87 L102 I103 D105 L121	L30-L32 HydrophobicContact CD1-CD2 4.03Å; L30-L32 HydrophobicContact CD2-CD2 4.21Å; L30-L32 HydrophobicContact CD2-CG 4.46Å; L30-L32 HydrophobicContact CG-CD2 4.05Å; L30-L32 HydrophobicContact CG-CG 4.26Å; L32-T82 WeakPolarHBondContact CA-O 3.46Å; L32-T82 HydrophobicContact CD2-CG2 3.35Å; L32-Y84 HydrophobicContact CB-CD1 4.05Å; L32-Y84 HydrophobicContact CB-CE1 3.67Å; L32-Y84 HydrophobicContact CD1-CD1 4.08Å; L32-Y84 HydrophobicContact CD1-CE1 3.99Å; L32-Y84 HydrophobicContact CG-CE1 4.48Å; L32-F87 HydrophobicContact CD1-CD1 4.3Å; L32-F87 HydrophobicContact CD1-CG 4.3Å; L32-F87 HydrophobicContact CD2-CB 3.86Å; L32-F87 HydrophobicContact CD2-CD2 4.44Å; L32-F87 HydrophobicContact CD2-CG 4.15Å; L32-L102 HydrophobicContact CD1-CD1 4.07Å; L32-L102 HydrophobicContact CG-CD1 4.22Å; L32-I103 PolarHBondContact N-O 3Å; L32-D105 PolarHBondContact O-N 3.5Å; L32-L121 HydrophobicContact CD1-CD1 4.33Å; L32-L121 HydrophobicContact CD1-CD2 3.48Å; L32-L121 VanDerWaalsContact CD1-CD2 3.48Å; L32-L121 HydrophobicContact CD1-CG 4.45Å
33	A	90.2	Very high	85.2	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	156.9	173.5	0	0	0	0	0	110.5	L31 L37 L38 T82 S83 D105	L31-A33 HydrophobicContact CD2-CB 3.97Å; A33-L37 HydrophobicContact CB-CB 4.3Å; A33-L38 HydrophobicContact CB-CD2 4.18Å; A33-T82 PolarHBondContact N-O 3.4Å; A33-T82 VanDerWaalsContact N-O 3.15Å; A33-S83 VanDerWaalsContact O-CA 3.28Å; A33-S83 WeakPolarHBondContact O-CA 3.26Å; A33-D105 HydrophobicContact CB-CB 4.08Å
34	P	84.2	Confident	85.9	Confident	3 Å²	3	30.7 Å²	30.7	2%	0.019	17%	0.174	C	C	.	.			trans	-48.3	142.4	168.4	-28.5	35.6	0	0	0	112.3	S36 L37 L38 E106	P34-S36 PolarHBondContact O-N 3.32Å; P34-L37 HydrophobicContact CB-CD1 4.43Å; P34-L37 HydrophobicContact CB-CG 4.39Å; P34-L37 HydrophobicContact CG-CD1 4.01Å; P34-L37 PolarHBondContact O-N 3.01Å; P34-L38 PolarHBondContact O-N 2.93Å; P34-E106 HydrophobicContact CG-CB 4.16Å; P34-E106 HydrophobicContact CG-CG 4.49Å
35	C	80.7	Confident	86.4	Confident	71 Å²	71	28.9 Å²	28.9	48%	0.48	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-46.2	-38.7	178.7	-70.8	0	0	0	0	113.2	L37 L38 S83 E85	C35-L37 VanDerWaalsContact C-N 3.3Å; C35-L37 PolarHBondContact O-N 3.49Å; C35-L38 PolarHBondContact O-N 3.3Å; C35-S83 WeakPolarHBondContact SG-CB 3.45Å; C35-S83 PolarHBondContact SG-OG 3.14Å; C35-S83 VanDerWaalsContact SG-OG 3.33Å; C35-E85 PolarHBondContact SG-OE2 3.41Å
36	S	73.8	Confident	86.5	Confident	55 Å²	55	28 Å²	28	39%	0.385	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-75.1	-13.7	-176.9	58.2	0	0	0	0	114.7	P34 L398	P34-S36 PolarHBondContact O-N 3.32Å; S36-L398 WeakPolarHBondContact OG-CD2 3.41Å
37	L	81.8	Confident	86.4	Confident	8 Å²	8	33.7 Å²	33.7	4%	0.042	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-101	-10.2	176.4	-70.1	-178.9	0	0	0	113.3	A33 P34 C35 A39 N40 W41 E106 L398	A33-L37 HydrophobicContact CB-CB 4.3Å; P34-L37 HydrophobicContact CB-CD1 4.43Å; P34-L37 HydrophobicContact CB-CG 4.39Å; P34-L37 HydrophobicContact CG-CD1 4.01Å; P34-L37 PolarHBondContact O-N 3.01Å; C35-L37 VanDerWaalsContact C-N 3.3Å; C35-L37 PolarHBondContact O-N 3.49Å; L37-A39 PolarHBondContact O-N 2.92Å; L37-N40 WeakPolarHBondContact O-CB 3.44Å; L37-N40 PolarHBondContact O-N 2.89Å; L37-N40 VanDerWaalsContact O-N 3.15Å; L37-W41 PolarHBondContact O-N 3.45Å; L37-E106 HydrophobicContact CD1-CG 4.01Å; L37-L398 HydrophobicContact CD2-CB 4.41Å; L37-L398 WeakPolarHBondContact CD2-O 3.11Å
38	L	85.8	Confident	86.1	Confident	5 Å²	5	35.7 Å²	35.7	3%	0.026	19%	0.187	C	C	.	.	H	α-helix	trans	-60.2	-43.7	-176.5	-64.6	179	0	0	0	113	A33 P34 C35 N40 W41 K42 L61 Q63 L81 T82	A33-L38 HydrophobicContact CB-CD2 4.18Å; P34-L38 PolarHBondContact O-N 2.93Å; C35-L38 PolarHBondContact O-N 3.3Å; L38-N40 VanDerWaalsContact C-N 3.3Å; L38-N40 PolarHBondContact O-N 2.9Å; L38-W41 PolarHBondContact O-N 2.86Å; L38-K42 WeakPolarHBondContact O-CB 3.4Å; L38-K42 PolarHBondContact O-N 2.77Å; L38-L61 HydrophobicContact CB-CD1 4.02Å; L38-L61 HydrophobicContact CD1-CD1 4.46Å; L38-Q63 HydrophobicContact CD1-CG 4.23Å; L38-L81 HydrophobicContact CD2-CD1 3.77Å; L38-L81 HydrophobicContact CD2-CG 3.94Å; L38-L81 WeakPolarHBondContact O-CD2 3.49Å; L38-T82 WeakPolarHBondContact CD2-O 3.38Å
39	A	81	Confident	85.4	Confident	55 Å²	55	34.7 Å²	34.7	46%	0.455	19%	0.185	S	C	.	.	H	α-helix	trans	-62.7	-40.1	177.6	0	0	0	0	0	111.5	L37 K42 N43	L37-A39 PolarHBondContact O-N 2.92Å; A39-K42 PolarHBondContact O-N 2.83Å; A39-N43 VanDerWaalsContact O-CG 3.23Å; A39-N43 PolarHBondContact O-N 3Å; A39-N43 PolarHBondContact O-ND2 3.3Å
40	N	82.3	Confident	84.4	Confident	35 Å²	35	42.2 Å²	42.2	19%	0.187	22%	0.218	C	C	.	.	H	α-helix	trans	-65.6	-46.1	177.6	-169.8	57.3	0	0	0	111.5	L37 L38 K42 N43 E44	L37-N40 WeakPolarHBondContact O-CB 3.44Å; L37-N40 PolarHBondContact O-N 2.89Å; L37-N40 VanDerWaalsContact O-N 3.15Å; L38-N40 VanDerWaalsContact C-N 3.3Å; L38-N40 PolarHBondContact O-N 2.9Å; N40-K42 PolarHBondContact O-N 3.41Å; N40-N43 PolarHBondContact O-N 2.99Å; N40-E44 WeakPolarHBondContact O-CG 3.18Å; N40-E44 PolarHBondContact O-N 3.2Å
41	W	88.5	Confident	82.7	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-60.1	-43	174.7	-90.7	105.8	0	0	0	112.7	C9 V10 L31 L37 L38 N43 E44 I45 L81 D105 L132	C9-W41 HydrophobicContact CB-CH2 3.87Å; C9-W41 HydrophobicContact CB-CZ3 4.36Å; V10-W41 HydrophobicContact CG2-CE3 4.47Å; V10-W41 HydrophobicContact CG2-CZ3 3.94Å; L31-W41 HydrophobicContact CD1-CD2 3.93Å; L31-W41 HydrophobicContact CD1-CE3 3.55Å; L31-W41 HydrophobicContact CD1-CH2 3.89Å; L31-W41 HydrophobicContact CD1-CZ2 4.28Å; L31-W41 HydrophobicContact CD1-CZ3 3.52Å; L31-W41 HydrophobicContact CD2-CD2 3.91Å; L31-W41 HydrophobicContact CD2-CE3 4.39Å; L31-W41 HydrophobicContact CD2-CG 4.06Å; L31-W41 HydrophobicContact CD2-CZ2 4.45Å; L37-W41 PolarHBondContact O-N 3.45Å; L38-W41 PolarHBondContact O-N 2.86Å; W41-N43 VanDerWaalsContact C-N 3.32Å; W41-N43 PolarHBondContact O-N 3.06Å; W41-E44 PolarHBondContact O-N 2.83Å; W41-I45 HydrophobicContact CE3-CD1 4.23Å; W41-I45 HydrophobicContact CE3-CG1 4.28Å; W41-I45 WeakPolarHBondContact O-CB 3.37Å; W41-I45 WeakPolarHBondContact O-CD1 3.22Å; W41-I45 WeakPolarHBondContact O-CG1 3.34Å; W41-I45 PolarHBondContact O-N 3.39Å; W41-L81 HydrophobicContact CB-CD1 3.88Å; W41-L81 HydrophobicContact CB-CD2 3.82Å; W41-L81 HydrophobicContact CG-CD1 4.39Å; W41-D105 HydrophobicContact CZ2-CB 4.18Å; W41-D105 PolarHBondContact NE1-OD2 2.81Å; W41-L132 HydrophobicContact CH2-CD1 3.98Å; W41-L132 HydrophobicContact CZ2-CD1 3.81Å
42	K	87.1	Confident	81	Confident	82 Å²	82	50.1 Å²	50.1	36%	0.357	26%	0.264	S	S	.	.	H	α-helix	trans	-57.5	-47.2	174.2	169.1	173.1	172	-175.5	0	111	L38 A39 N40 L46 L59 L61 L81	L38-K42 WeakPolarHBondContact O-CB 3.4Å; L38-K42 PolarHBondContact O-N 2.77Å; A39-K42 PolarHBondContact O-N 2.83Å; N40-K42 PolarHBondContact O-N 3.41Å; K42-L46 HydrophobicContact CD-CD1 4.45Å; K42-L46 HydrophobicContact CG-CD1 3.74Å; K42-L46 HydrophobicContact CG-CG 4.39Å; K42-L46 VanDerWaalsContact O-CB 3.31Å; K42-L46 WeakPolarHBondContact O-CB 3.14Å; K42-L46 WeakPolarHBondContact O-CG 3.46Å; K42-L46 PolarHBondContact O-N 3.47Å; K42-L59 HydrophobicContact CB-CD2 4.24Å; K42-L59 HydrophobicContact CG-CD2 3.91Å; K42-L61 HydrophobicContact CD-CD2 3.72Å; K42-L81 HydrophobicContact CB-CD2 4.01Å
43	N	83.5	Confident	79	Confident	79 Å²	79	59.5 Å²	59.5	42%	0.422	31%	0.305	S	S	.	.	H	α-helix	trans	-65.5	-43.1	-179.5	-69.5	-15.7	0	0	0	112	A39 N40 W41 L46 K47	A39-N43 VanDerWaalsContact O-CG 3.23Å; A39-N43 PolarHBondContact O-N 3Å; A39-N43 PolarHBondContact O-ND2 3.3Å; N40-N43 PolarHBondContact O-N 2.99Å; W41-N43 VanDerWaalsContact C-N 3.32Å; W41-N43 PolarHBondContact O-N 3.06Å; N43-L46 PolarHBondContact O-N 3.37Å; N43-K47 WeakPolarHBondContact O-CB 3.46Å; N43-K47 PolarHBondContact O-N 3.29Å
44	E	86.3	Confident	77.3	Confident	41 Å²	41	70.1 Å²	70.1	19%	0.192	35%	0.345	C	S	.	.	H	α-helix	trans	-61.9	-50.2	175.5	-74.1	-71.7	178.8	0	0	111.3	N40 W41 L46 K47 W48	N40-E44 WeakPolarHBondContact O-CG 3.18Å; N40-E44 PolarHBondContact O-N 3.2Å; W41-E44 PolarHBondContact O-N 2.83Å; E44-L46 VanDerWaalsContact C-N 3.34Å; E44-L46 PolarHBondContact O-N 3.44Å; E44-K47 WeakPolarHBondContact O-CB 3.43Å; E44-K47 PolarHBondContact O-N 2.92Å; E44-W48 PolarHBondContact O-N 3.43Å; E44-W48 PolarHBondContact OE2-NE1 2.88Å
45	I	87.8	Confident	76.1	Confident	4 Å²	4	71 Å²	71	2%	0.021	35%	0.351	C	S	.	.	H	α-helix	trans	-58.1	-48.6	178	-66.9	163.8	0	0	0	110.2	V10 W41 K47 W48 T49 L59 I79	V10-I45 HydrophobicContact CG2-CG1 3.81Å; W41-I45 HydrophobicContact CE3-CD1 4.23Å; W41-I45 HydrophobicContact CE3-CG1 4.28Å; W41-I45 WeakPolarHBondContact O-CB 3.37Å; W41-I45 WeakPolarHBondContact O-CD1 3.22Å; W41-I45 WeakPolarHBondContact O-CG1 3.34Å; W41-I45 PolarHBondContact O-N 3.39Å; I45-K47 VanDerWaalsContact C-N 3.33Å; I45-K47 PolarHBondContact O-N 2.93Å; I45-W48 PolarHBondContact O-N 2.86Å; I45-T49 HydrophobicContact CG2-CG2 4.01Å; I45-T49 WeakPolarHBondContact O-CB 3.48Å; I45-T49 WeakPolarHBondContact O-CG2 3.17Å; I45-T49 PolarHBondContact O-N 2.76Å; I45-T49 PolarHBondContact O-OG1 3.33Å; I45-L59 HydrophobicContact CB-CD2 4.26Å; I45-L59 HydrophobicContact CD1-CD1 3.85Å; I45-L59 HydrophobicContact CG2-CD1 4.3Å; I45-L59 HydrophobicContact CG2-CD2 4.1Å; I45-I79 HydrophobicContact CD1-CG2 4.22Å; I45-I79 HydrophobicContact CG2-CD1 4.31Å
46	L	85.2	Confident	75.3	Confident	60 Å²	60	75.8 Å²	75.8	31%	0.314	37%	0.367	S	S	.	.	H	α-helix	trans	-64.4	-36	179.3	-71.9	174.3	0	0	0	113	K42 N43 E44 T49 K50 L59	K42-L46 HydrophobicContact CD-CD1 4.45Å; K42-L46 HydrophobicContact CG-CD1 3.74Å; K42-L46 HydrophobicContact CG-CG 4.39Å; K42-L46 VanDerWaalsContact O-CB 3.31Å; K42-L46 WeakPolarHBondContact O-CB 3.14Å; K42-L46 WeakPolarHBondContact O-CG 3.46Å; K42-L46 PolarHBondContact O-N 3.47Å; N43-L46 PolarHBondContact O-N 3.37Å; E44-L46 VanDerWaalsContact C-N 3.34Å; E44-L46 PolarHBondContact O-N 3.44Å; L46-T49 WeakPolarHBondContact CA-OG1 3.48Å; L46-T49 PolarHBondContact O-OG1 2.94Å; L46-K50 WeakPolarHBondContact O-CB 3.31Å; L46-K50 WeakPolarHBondContact O-CG 3.34Å; L46-K50 PolarHBondContact O-N 3.5Å; L46-K50 VanDerWaalsContact O-N 3.13Å; L46-L59 HydrophobicContact CD2-CD2 4.3Å; L46-L59 HydrophobicContact CG-CD2 4.07Å
47	K	83.6	Confident	75.1	Confident	119 Å²	119	74.2 Å²	74.2	52%	0.517	36%	0.357	S	S	.	.	H	α-helix	trans	-61	-50.1	176.7	177.1	-176.9	174.2	-174.2	0	110.2	N43 E44 I45	N43-K47 WeakPolarHBondContact O-CB 3.46Å; N43-K47 PolarHBondContact O-N 3.29Å; E44-K47 WeakPolarHBondContact O-CB 3.43Å; E44-K47 PolarHBondContact O-N 2.92Å; I45-K47 VanDerWaalsContact C-N 3.33Å; I45-K47 PolarHBondContact O-N 2.93Å
48	W	81.7	Confident	74.9	Confident	83 Å²	83	76.9 Å²	76.9	31%	0.314	37%	0.369	S	S	.	.	H	α-helix	trans	-81	-29.7	-175.3	-60.4	112.6	0	0	0	113.4	V7 V10 E44 I45 V51 D52	V7-W48 HydrophobicContact CG1-CZ2 4.05Å; V7-W48 HydrophobicContact CG2-CZ2 3.88Å; V10-W48 HydrophobicContact CG1-CB 3.79Å; V10-W48 HydrophobicContact CG1-CG 4.37Å; E44-W48 PolarHBondContact O-N 3.43Å; E44-W48 PolarHBondContact OE2-NE1 2.88Å; I45-W48 PolarHBondContact O-N 2.86Å; W48-V51 HydrophobicContact CE3-CG2 4.46Å; W48-V51 PolarHBondContact O-N 3.27Å; W48-D52 PolarHBondContact O-N 3.38Å
49	T	75.5	Confident	74.8	Confident	22 Å²	22	78.5 Å²	78.5	14%	0.135	38%	0.378	C	S	.	.	H	α-helix	trans	-69.2	-32.3	172	55.5	0	0	0	0	112.5	L14 I45 L46 V51 D52	L14-T49 HydrophobicContact CD1-CG2 4.3Å; L14-T49 HydrophobicContact CD2-CG2 3.81Å; I45-T49 HydrophobicContact CG2-CG2 4.01Å; I45-T49 WeakPolarHBondContact O-CB 3.48Å; I45-T49 WeakPolarHBondContact O-CG2 3.17Å; I45-T49 PolarHBondContact O-N 2.76Å; I45-T49 PolarHBondContact O-OG1 3.33Å; L46-T49 WeakPolarHBondContact CA-OG1 3.48Å; L46-T49 PolarHBondContact O-OG1 2.94Å; T49-V51 VanDerWaalsContact C-N 3.33Å; T49-V51 PolarHBondContact O-N 3.14Å; T49-D52 CarbonylContact O-C 3.53Å; T49-D52 PolarHBondContact O-N 3.04Å; T49-D52 VanDerWaalsContact O-N 3.16Å
50	K	70	Confident	75	Confident	159 Å²	159	76.4 Å²	76.4	69%	0.691	36%	0.359	S	S	*	.	H	α-helix	trans	-65.7	-34.3	174.9	-80.8	177.2	-178.9	-173.8	0	113.2	L46 D52	L46-K50 WeakPolarHBondContact O-CB 3.31Å; L46-K50 WeakPolarHBondContact O-CG 3.34Å; L46-K50 PolarHBondContact O-N 3.5Å; L46-K50 VanDerWaalsContact O-N 3.13Å; K50-D52 PolarHBondContact O-N 2.75Å
51	V	58.7	Low	75.1	Confident	112 Å²	112	76.4 Å²	76.4	68%	0.679	36%	0.359	S	S	*	.	H	α-helix	trans	-60.6	-37.1	173.9	176.8	0	0	0	0	109.6	W48 T49	W48-V51 HydrophobicContact CE3-CG2 4.46Å; W48-V51 PolarHBondContact O-N 3.27Å; T49-V51 VanDerWaalsContact C-N 3.33Å; T49-V51 PolarHBondContact O-N 3.14Å
52	D	58.8	Low	74.9	Confident	58 Å²	58	76.3 Å²	76.3	31%	0.31	36%	0.358	S	S	.	.			trans	-105.6	80.6	178	-169.2	-15.3	0	0	0	111.7	K18 W48 T49 K50 R54 S55	K18-D52 IonicContact NZ-OD1 2.59Å; K18-D52 PolarHBondContact NZ-OD1 3.33Å; K18-D52 IonicContact NZ-OD2 3.07Å; K18-D52 PolarHBondContact NZ-OD2 3.45Å; W48-D52 PolarHBondContact O-N 3.38Å; T49-D52 CarbonylContact O-C 3.53Å; T49-D52 PolarHBondContact O-N 3.04Å; T49-D52 VanDerWaalsContact O-N 3.16Å; K50-D52 PolarHBondContact O-N 2.75Å; D52-R54 PolarHBondContact O-N 3.45Å; D52-R54 WeakPolarHBondContact OD1-CB 3.36Å; D52-R54 PolarHBondContact OD1-N 3.43Å; D52-S55 WeakPolarHBondContact CB-OG 3.32Å; D52-S55 VanDerWaalsContact O-CB 3.3Å; D52-S55 WeakPolarHBondContact O-CB 3.37Å; D52-S55 PolarHBondContact O-N 3.18Å; D52-S55 PolarHBondContact O-OG 3.09Å
53	K	53.5	Low	74.6	Confident	197 Å²	197	78 Å²	78	86%	0.857	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-13.1	179.1	-65	-175.2	-178.6	179.2	0	114.6	S55	K53-S55 VanDerWaalsContact C-N 3.29Å
54	R	53.5	Low	74.2	Confident	222 Å²	222	76.9 Å²	76.9	84%	0.838	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-5.1	176.1	-61.5	179	178.7	164.9	-0.7	112.5	K18 D52 Q56	K18-R54 VanDerWaalsContact NZ-C 3.32Å; D52-R54 PolarHBondContact O-N 3.45Å; D52-R54 WeakPolarHBondContact OD1-CB 3.36Å; D52-R54 PolarHBondContact OD1-N 3.43Å; R54-Q56 PolarHBondContact O-N 3.05Å
55	S	58.8	Low	73.3	Confident	21 Å²	21	76.9 Å²	76.9	15%	0.147	38%	0.377	C	S	.	.			trans	-77.6	102.7	178.4	-37.2	0	0	0	0	110.1	K18 D52 K53 A57	K18-S55 VanDerWaalsContact NZ-CA 3.28Å; K18-S55 PolarHBondContact NZ-OG 3.26Å; D52-S55 WeakPolarHBondContact CB-OG 3.32Å; D52-S55 VanDerWaalsContact O-CB 3.3Å; D52-S55 WeakPolarHBondContact O-CB 3.37Å; D52-S55 PolarHBondContact O-N 3.18Å; D52-S55 PolarHBondContact O-OG 3.09Å; K53-S55 VanDerWaalsContact C-N 3.29Å; S55-A57 PolarHBondContact O-N 3.29Å
56	Q	63.6	Low	72.4	Confident	172 Å²	172	87.7 Å²	87.7	80%	0.804	42%	0.418	S	S	*	.			trans	-81	16.5	168.8	-66.2	-168.5	-14.1	0	0	112.9	R54 Q58	R54-Q56 PolarHBondContact O-N 3.05Å; Q56-Q58 PolarHBondContact O-N 3.13Å
57	A	69.8	Low	71.7	Confident	22 Å²	22	87.9 Å²	87.9	18%	0.182	42%	0.419	C	S	.	.			trans	-66.9	116.6	-178.4	0	0	0	0	0	110.3	L14 M17 S55 N77 I79	L14-A57 HydrophobicContact CD2-CB 4.49Å; M17-A57 HydrophobicContact CE-CB 3.88Å; M17-A57 HydrophobicContact SD-CB 4.16Å; S55-A57 PolarHBondContact O-N 3.29Å; A57-N77 CarbonylContact C-O 3.09Å; A57-N77 WeakPolarHBondContact CA-O 3.2Å; A57-I79 HydrophobicContact CB-CD1 4.18Å
58	Q	78.5	Confident	71	Confident	65 Å²	65	83.1 Å²	83.1	30%	0.304	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	115.4	179	-171.1	177.5	-0.4	0	0	109.8	Q56 L60 R75 N77 S78 I79	Q56-Q58 PolarHBondContact O-N 3.13Å; Q58-L60 HydrophobicContact CG-CD1 4.19Å; Q58-R75 VanDerWaalsContact OE1-NH1 3.13Å; Q58-N77 PolarHBondContact N-O 3.17Å; Q58-S78 CarbonylContact O-C 3.48Å; Q58-S78 VanDerWaalsContact O-CA 3.31Å; Q58-S78 WeakPolarHBondContact O-CA 3.22Å; Q58-I79 PolarHBondContact O-N 3.31Å
59	L	83.4	Confident	70.6	Confident	38 Å²	38	81.9 Å²	81.9	20%	0.199	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	121.8	172.2	178.6	64.7	0	0	0	110.3	K42 I45 L46 I79 L81	K42-L59 HydrophobicContact CB-CD2 4.24Å; K42-L59 HydrophobicContact CG-CD2 3.91Å; I45-L59 HydrophobicContact CB-CD2 4.26Å; I45-L59 HydrophobicContact CD1-CD1 3.85Å; I45-L59 HydrophobicContact CG2-CD1 4.3Å; I45-L59 HydrophobicContact CG2-CD2 4.1Å; L46-L59 HydrophobicContact CD2-CD2 4.3Å; L46-L59 HydrophobicContact CG-CD2 4.07Å; L59-I79 HydrophobicContact CD1-CB 4.19Å; L59-I79 HydrophobicContact CD1-CG2 4.04Å; L59-L81 HydrophobicContact CD1-CB 4.02Å; L59-L81 HydrophobicContact CD1-CD2 4.41Å
60	L	84.6	Confident	70.4	Confident	11 Å²	11	83.4 Å²	83.4	6%	0.058	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	113.5	168.8	-101.1	108.1	0	0	0	109.9	Q58 L62 R72 I79 L80 L81	Q58-L60 HydrophobicContact CG-CD1 4.19Å; L60-L62 HydrophobicContact CD2-CD2 4.16Å; L60-R72 HydrophobicContact CD1-CB 3.99Å; L60-R72 HydrophobicContact CD2-CB 3.59Å; L60-R72 HydrophobicContact CD2-CG 4.47Å; L60-R72 HydrophobicContact CG-CB 4.4Å; L60-I79 PolarHBondContact N-O 3.01Å; L60-L80 HydrophobicContact CB-CD2 3.93Å; L60-L81 PolarHBondContact O-N 3.11Å
61	L	85.3	Confident	70.6	Confident	35 Å²	35	81.7 Å²	81.7	18%	0.183	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	121.7	170.4	176.1	66	0	0	0	109	L38 K42 Q63 L81	L38-L61 HydrophobicContact CB-CD1 4.02Å; L38-L61 HydrophobicContact CD1-CD1 4.46Å; K42-L61 HydrophobicContact CD-CD2 3.72Å; L61-Q63 HydrophobicContact CD1-CG 4.03Å; L61-Q63 HydrophobicContact CD2-CG 4.1Å; L61-Q63 HydrophobicContact CG-CG 3.9Å; L61-L81 HydrophobicContact CD1-CB 4.4Å; L61-L81 HydrophobicContact CD1-CD2 3.88Å; L61-L81 HydrophobicContact CD1-CG 3.91Å
62	L	84	Confident	71.2	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	98.2	-179.4	-57.4	172.2	0	0	0	109.1	L60 D67 I68 L73 L81 T82 F94	L60-L62 HydrophobicContact CD2-CD2 4.16Å; L62-D67 HydrophobicContact CD2-CB 3.96Å; L62-D67 VanDerWaalsContact CD2-O 3.29Å; L62-D67 WeakPolarHBondContact CD2-O 3.4Å; L62-I68 HydrophobicContact CD2-CG1 4.13Å; L62-L73 HydrophobicContact CD1-CD2 4.02Å; L62-L81 PolarHBondContact N-O 3.38Å; L62-T82 PolarHBondContact O-OG1 2.95Å; L62-F94 HydrophobicContact CD1-CE1 3.98Å; L62-F94 HydrophobicContact CD1-CZ 3.76Å
63	Q	79.5	Confident	71.9	Confident	117 Å²	117	79.5 Å²	79.5	55%	0.547	38%	0.382	S	S	.	.			trans	-110.1	-31.2	179.8	-76.8	-179.2	-36.2	0	0	112.6	L38 L61 D67	L38-Q63 HydrophobicContact CD1-CG 4.23Å; L61-Q63 HydrophobicContact CD1-CG 4.03Å; L61-Q63 HydrophobicContact CD2-CG 4.1Å; L61-Q63 HydrophobicContact CG-CG 3.9Å; Q63-D67 PolarHBondContact N-OD2 2.93Å
64	S	76.1	Confident	72.9	Confident	57 Å²	57	74.5 Å²	74.5	40%	0.399	36%	0.359	S	S	.	.	S	Bend	trans	-123.6	155.6	179.1	-174.9	0	0	0	0	111.2	R66 D67 M86	S64-R66 PolarHBondContact O-N 3.24Å; S64-D67 PolarHBondContact N-OD2 2.9Å; S64-D67 WeakPolarHBondContact O-CB 3.34Å; S64-D67 PolarHBondContact O-N 3.26Å; S64-M86 WeakPolarHBondContact O-CE 3.49Å
65	G	66.8	Low	73.9	Confident	41 Å²	41	69.7 Å²	69.7	42%	0.423	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-57.4	-24.3	177.1	0	0	0	0	0	112.5	D67 I68	G65-D67 VanDerWaalsContact C-N 3.32Å; G65-D67 PolarHBondContact O-N 3.42Å; G65-I68 PolarHBondContact O-N 3.44Å
66	R	69.2	Low	74.8	Confident	231 Å²	231	78.3 Å²	78.3	87%	0.872	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-71.6	-22.6	175.9	-59.3	-176.6	-176.3	-178.2	0.1	113.8	S64 I68	S64-R66 PolarHBondContact O-N 3.24Å; R66-I68 PolarHBondContact O-N 3.34Å
67	D	70.5	Confident	75.7	Confident	63 Å²	63	72.4 Å²	72.4	34%	0.337	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-77.4	-15.7	179.7	-56.4	-33.1	0	0	0	111.8	L62 Q63 S64 G65 D69	L62-D67 HydrophobicContact CD2-CB 3.96Å; L62-D67 VanDerWaalsContact CD2-O 3.29Å; L62-D67 WeakPolarHBondContact CD2-O 3.4Å; Q63-D67 PolarHBondContact N-OD2 2.93Å; S64-D67 PolarHBondContact N-OD2 2.9Å; S64-D67 WeakPolarHBondContact O-CB 3.34Å; S64-D67 PolarHBondContact O-N 3.26Å; G65-D67 VanDerWaalsContact C-N 3.32Å; G65-D67 PolarHBondContact O-N 3.42Å; D67-D69 PolarHBondContact O-N 3.01Å; D67-D69 VanDerWaalsContact O-N 3.07Å
68	I	69.2	Low	76.5	Confident	20 Å²	20	71.4 Å²	71.4	10%	0.103	34%	0.335	C	S	.	.			trans	-83.2	83	-178.7	-58.7	179.8	0	0	0	108.5	L62 G65 R66 L73 M86 H90 L93	L62-I68 HydrophobicContact CD2-CG1 4.13Å; G65-I68 PolarHBondContact O-N 3.44Å; R66-I68 PolarHBondContact O-N 3.34Å; I68-L73 HydrophobicContact CG2-CD1 3.63Å; I68-M86 HydrophobicContact CD1-CE 3.64Å; I68-M86 HydrophobicContact CD1-SD 4.43Å; I68-M86 HydrophobicContact CG1-CE 4.12Å; I68-H90 HydrophobicContact CD1-CB 3.84Å; I68-H90 WeakPolarHBondContact CD1-ND1 3.16Å; I68-L93 HydrophobicContact CG2-CD1 3.39Å
69	D	73.5	Confident	77	Confident	57 Å²	57	68.6 Å²	68.6	31%	0.305	32%	0.322	S	S	.	.			trans	-95.6	116.5	168.3	-177.8	-4.4	0	0	0	109.1	D67 N71 R72 L73	D67-D69 PolarHBondContact O-N 3.01Å; D67-D69 VanDerWaalsContact O-N 3.07Å; D69-N71 PolarHBondContact O-N 3.1Å; D69-N71 VanDerWaalsContact O-N 3.16Å; D69-N71 WeakPolarHBondContact OD1-CB 3.34Å; D69-N71 PolarHBondContact OD1-N 2.95Å; D69-R72 HydrophobicContact CB-CB 4.26Å; D69-R72 HydrophobicContact CB-CG 4.02Å; D69-R72 PolarHBondContact O-N 3.48Å; D69-R72 IonicContact OD2-NE 3.8Å; D69-L73 PolarHBondContact O-N 3.19Å
70	P	71.9	Confident	77.4	Confident	54 Å²	54	66.8 Å²	66.8	35%	0.351	31%	0.313	S	S	.	.	H	α-helix	trans	-50.2	-39.9	177.2	-24.2	32.2	0	0	0	112.2	R72 L73 Y74	P70-R72 PolarHBondContact O-N 3.05Å; P70-L73 PolarHBondContact O-N 3.43Å; P70-Y74 HydrophobicContact CB-CD2 4.35Å; P70-Y74 HydrophobicContact CB-CE2 3.72Å; P70-Y74 WeakPolarHBondContact O-CD2 3.28Å; P70-Y74 WeakPolarHBondContact O-CE2 3.4Å; P70-Y74 PolarHBondContact O-N 2.89Å; P70-Y74 VanDerWaalsContact O-N 3.17Å
71	N	73	Confident	77.8	Confident	123 Å²	123	66.2 Å²	66.2	66%	0.658	31%	0.31	S	S	*	.	H	α-helix	trans	-65.8	-24.3	-178.4	-68.3	-30.7	0	0	0	113.2	D69 R75	D69-N71 PolarHBondContact O-N 3.1Å; D69-N71 VanDerWaalsContact O-N 3.16Å; D69-N71 WeakPolarHBondContact OD1-CB 3.34Å; D69-N71 PolarHBondContact OD1-N 2.95Å; N71-R75 WeakPolarHBondContact O-CG 3.37Å
72	R	72.3	Confident	78.2	Confident	123 Å²	123	64.6 Å²	64.6	46%	0.464	30%	0.301	S	S	.	.	H	α-helix	trans	-88.8	-33.9	175.6	-63.8	-175.9	179.8	-166.1	-3.2	112.1	L60 D69 P70 Y74 R75	L60-R72 HydrophobicContact CD1-CB 3.99Å; L60-R72 HydrophobicContact CD2-CB 3.59Å; L60-R72 HydrophobicContact CD2-CG 4.47Å; L60-R72 HydrophobicContact CG-CB 4.4Å; D69-R72 HydrophobicContact CB-CB 4.26Å; D69-R72 HydrophobicContact CB-CG 4.02Å; D69-R72 PolarHBondContact O-N 3.48Å; D69-R72 IonicContact OD2-NE 3.8Å; P70-R72 PolarHBondContact O-N 3.05Å; R72-Y74 VanDerWaalsContact C-N 3.31Å; R72-Y74 PolarHBondContact O-N 3.29Å; R72-R75 PolarHBondContact O-N 2.81Å
73	L	72.3	Confident	78.5	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-63.6	-36.3	178.1	-75.2	161.6	0	0	0	112.6	L62 I68 D69 P70 R75 L80 F94 C97	L62-L73 HydrophobicContact CD1-CD2 4.02Å; I68-L73 HydrophobicContact CG2-CD1 3.63Å; D69-L73 PolarHBondContact O-N 3.19Å; P70-L73 PolarHBondContact O-N 3.43Å; L73-R75 VanDerWaalsContact C-N 3.31Å; L73-R75 PolarHBondContact O-N 3.05Å; L73-L80 HydrophobicContact CD2-CD1 3.82Å; L73-L80 HydrophobicContact CD2-CD2 3.93Å; L73-L80 HydrophobicContact CD2-CG 4.49Å; L73-F94 HydrophobicContact CD2-CE1 4.32Å; L73-C97 PolarHBondContact O-SG 3.33Å; L73-C97 VanDerWaalsContact O-SG 3.38Å
74	Y	75.6	Confident	79	Confident	91 Å²	91	59.9 Å²	59.9	36%	0.357	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	1.4	-177.9	-55.1	-50.4	0	0	0	114.2	P70 R72 Q96 C97	P70-Y74 HydrophobicContact CB-CD2 4.35Å; P70-Y74 HydrophobicContact CB-CE2 3.72Å; P70-Y74 WeakPolarHBondContact O-CD2 3.28Å; P70-Y74 WeakPolarHBondContact O-CE2 3.4Å; P70-Y74 PolarHBondContact O-N 2.89Å; P70-Y74 VanDerWaalsContact O-N 3.17Å; R72-Y74 VanDerWaalsContact C-N 3.31Å; R72-Y74 PolarHBondContact O-N 3.29Å; Y74-Q96 PolarHBondContact OH-OE1 2.9Å; Y74-C97 HydrophobicContact CD1-CB 4.49Å; Y74-C97 HydrophobicContact CE1-CB 4.24Å
75	R	74.5	Confident	79.5	Confident	122 Å²	122	61.7 Å²	61.7	46%	0.46	28%	0.282	S	S	.	.			trans	-68.3	137.7	178.4	-72.1	-175.1	-179.4	-171	-4.2	111.5	Q58 N71 R72 L73 S78	Q58-R75 VanDerWaalsContact OE1-NH1 3.13Å; N71-R75 WeakPolarHBondContact O-CG 3.37Å; R72-R75 PolarHBondContact O-N 2.81Å; L73-R75 VanDerWaalsContact C-N 3.31Å; L73-R75 PolarHBondContact O-N 3.05Å; R75-S78 WeakPolarHBondContact O-CB 3.4Å; R75-S78 PolarHBondContact O-OG 2.84Å
76	R	77.7	Confident	80.5	Confident	202 Å²	202	60.2 Å²	60.2	76%	0.762	26%	0.264	S	S	*	.	S	Bend	trans	-66.5	157.6	169.3	-67.9	-174.8	176.5	172.8	-1.5	110.6	S78	R76-S78 VanDerWaalsContact C-N 3.32Å; R76-S78 PolarHBondContact O-N 3.39Å
77	N	81.3	Confident	81.5	Confident	48 Å²	48	49.3 Å²	49.3	26%	0.257	22%	0.223	S	C	.	.	S	Bend	trans	54	44.9	-177.3	-67.8	-15.3	0	0	0	113.2	M17 N27 A57 Q58	M17-N77 VanDerWaalsContact CE-CA 3.42Å; M17-N77 HydrophobicContact CE-CB 3.98Å; N27-N77 CarbonylContact O-C 3.27Å; N27-N77 WeakPolarHBondContact O-CA 3.33Å; N27-N77 PolarHBondContact O-N 3.18Å; N27-N77 PolarHBondContact OD1-OD1 3.32Å; A57-N77 CarbonylContact C-O 3.09Å; A57-N77 WeakPolarHBondContact CA-O 3.2Å; Q58-N77 PolarHBondContact N-O 3.17Å
78	S	86.8	Confident	82.3	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	141.3	-179.8	62.2	0	0	0	0	112.7	N27 R28 V29 Q58 R75 R76	N27-S78 PolarHBondContact O-N 3.08Å; R28-S78 WeakPolarHBondContact CA-O 3.44Å; V29-S78 PolarHBondContact N-O 3.24Å; Q58-S78 CarbonylContact O-C 3.48Å; Q58-S78 VanDerWaalsContact O-CA 3.31Å; Q58-S78 WeakPolarHBondContact O-CA 3.22Å; R75-S78 WeakPolarHBondContact O-CB 3.4Å; R75-S78 PolarHBondContact O-OG 2.84Å; R76-S78 VanDerWaalsContact C-N 3.32Å; R76-S78 PolarHBondContact O-N 3.39Å
79	I	90.5	Very high	83.2	Confident	6 Å²	6	57 Å²	57	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	109.8	171.3	-57.7	169.8	0	0	0	106.6	V13 M17 V29 I45 A57 Q58 L59 L60	V13-I79 HydrophobicContact CG1-CD1 3.79Å; V13-I79 HydrophobicContact CG1-CG1 4.15Å; M17-I79 HydrophobicContact CE-CG1 4.36Å; M17-I79 HydrophobicContact SD-CD1 4.13Å; M17-I79 HydrophobicContact SD-CG1 3.91Å; V29-I79 HydrophobicContact CB-CG1 4.44Å; I45-I79 HydrophobicContact CD1-CG2 4.22Å; I45-I79 HydrophobicContact CG2-CD1 4.31Å; A57-I79 HydrophobicContact CB-CD1 4.18Å; Q58-I79 PolarHBondContact O-N 3.31Å; L59-I79 HydrophobicContact CD1-CB 4.19Å; L59-I79 HydrophobicContact CD1-CG2 4.04Å; L60-I79 PolarHBondContact N-O 3.01Å
80	L	91.7	Very high	83.8	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	113.8	177.8	-54.4	179.6	0	0	0	108.8	V29 L30 L31 L60 L73 F94	V29-L80 PolarHBondContact O-N 2.99Å; L30-L80 HydrophobicContact CD1-CB 3.97Å; L31-L80 PolarHBondContact N-O 2.79Å; L60-L80 HydrophobicContact CB-CD2 3.93Å; L73-L80 HydrophobicContact CD2-CD1 3.82Å; L73-L80 HydrophobicContact CD2-CD2 3.93Å; L73-L80 HydrophobicContact CD2-CG 4.49Å; L80-F94 HydrophobicContact CD1-CE1 4.48Å
81	L	93.2	Very high	84.6	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	114.5	179.1	177	60.3	0	0	0	109.6	L31 L38 W41 K42 L59 L60 L61 L62	L31-L81 HydrophobicContact CB-CD1 4.16Å; L31-L81 HydrophobicContact CD2-CD1 3.46Å; L31-L81 VanDerWaalsContact CD2-CD1 3.46Å; L31-L81 HydrophobicContact CG-CD1 4.27Å; L38-L81 HydrophobicContact CD2-CD1 3.77Å; L38-L81 HydrophobicContact CD2-CG 3.94Å; L38-L81 WeakPolarHBondContact O-CD2 3.49Å; W41-L81 HydrophobicContact CB-CD1 3.88Å; W41-L81 HydrophobicContact CB-CD2 3.82Å; W41-L81 HydrophobicContact CG-CD1 4.39Å; K42-L81 HydrophobicContact CB-CD2 4.01Å; L59-L81 HydrophobicContact CD1-CB 4.02Å; L59-L81 HydrophobicContact CD1-CD2 4.41Å; L60-L81 PolarHBondContact O-N 3.11Å; L61-L81 HydrophobicContact CD1-CB 4.4Å; L61-L81 HydrophobicContact CD1-CD2 3.88Å; L61-L81 HydrophobicContact CD1-CG 3.91Å; L62-L81 PolarHBondContact N-O 3.38Å
82	T	92.2	Very high	85.2	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	165	-176.2	-167.6	0	0	0	0	112.6	L30 L31 L32 A33 L38 L62 M86 F87 F94	L30-T82 HydrophobicContact CD1-CG2 3.83Å; L31-T82 PolarHBondContact O-N 3.48Å; L32-T82 WeakPolarHBondContact CA-O 3.46Å; L32-T82 HydrophobicContact CD2-CG2 3.35Å; A33-T82 PolarHBondContact N-O 3.4Å; A33-T82 VanDerWaalsContact N-O 3.15Å; L38-T82 WeakPolarHBondContact CD2-O 3.38Å; L62-T82 PolarHBondContact O-OG1 2.95Å; T82-M86 WeakPolarHBondContact OG1-CB 3.42Å; T82-M86 WeakPolarHBondContact OG1-CG 3.48Å; T82-F87 HydrophobicContact CG2-CB 4.4Å; T82-F94 HydrophobicContact CG2-CE1 4.43Å; T82-F94 HydrophobicContact CG2-CZ 4.06Å
83	S	90.8	Very high	85.9	Confident	6 Å²	6	56.1 Å²	56.1	4%	0.042	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	159.3	175	95.1	0	0	0	0	113.1	A33 C35 E85 M86 F87	A33-S83 VanDerWaalsContact O-CA 3.28Å; A33-S83 WeakPolarHBondContact O-CA 3.26Å; C35-S83 WeakPolarHBondContact SG-CB 3.45Å; C35-S83 PolarHBondContact SG-OG 3.14Å; C35-S83 VanDerWaalsContact SG-OG 3.33Å; S83-E85 VanDerWaalsContact C-N 3.3Å; S83-E85 VanDerWaalsContact CB-OE2 3.26Å; S83-E85 WeakPolarHBondContact CB-OE2 3.31Å; S83-E85 PolarHBondContact O-N 2.93Å; S83-E85 PolarHBondContact OG-N 3.46Å; S83-E85 PolarHBondContact OG-OE2 2.75Å; S83-M86 PolarHBondContact O-N 3.29Å; S83-M86 WeakPolarHBondContact OG-CB 3.22Å; S83-M86 PolarHBondContact OG-N 2.73Å; S83-M86 VanDerWaalsContact OG-N 3.09Å; S83-F87 WeakPolarHBondContact O-CB 3.16Å; S83-F87 PolarHBondContact O-N 3.09Å
84	Y	89.8	Confident	86.5	Confident	12 Å²	12	56.1 Å²	56.1	5%	0.047	23%	0.232	C	C	.	.	H	α-helix	trans	-57.6	-42.9	173.1	-71.3	-69.5	0	0	0	112.3	L32 F87 I88 C104 D105 L110	L32-Y84 HydrophobicContact CB-CD1 4.05Å; L32-Y84 HydrophobicContact CB-CE1 3.67Å; L32-Y84 HydrophobicContact CD1-CD1 4.08Å; L32-Y84 HydrophobicContact CD1-CE1 3.99Å; L32-Y84 HydrophobicContact CG-CE1 4.48Å; Y84-F87 PolarHBondContact O-N 3.04Å; Y84-I88 WeakPolarHBondContact O-CD1 3.21Å; Y84-I88 VanDerWaalsContact O-CG1 3.24Å; Y84-I88 WeakPolarHBondContact O-CG1 3.42Å; Y84-I88 PolarHBondContact O-N 3.45Å; Y84-I88 VanDerWaalsContact O-N 3.09Å; Y84-C104 WeakPolarHBondContact OH-CB 3.4Å; Y84-D105 WeakPolarHBondContact CE2-O 3.18Å; Y84-D105 PolarHBondContact OH-N 3.37Å; Y84-D105 PolarHBondContact OH-O 2.61Å; Y84-L110 HydrophobicContact CD1-CD2 4.13Å; Y84-L110 HydrophobicContact CE1-CD1 4.13Å; Y84-L110 HydrophobicContact CE1-CD2 3.85Å; Y84-L110 HydrophobicContact CE1-CG 4.24Å
85	E	87.4	Confident	87	Confident	95 Å²	95	55.3 Å²	55.3	44%	0.444	23%	0.23	S	C	.	.	H	α-helix	trans	-65.9	-40.5	179.9	-55.8	78.5	-173	0	0	111.3	C35 S83 I88 R89	C35-E85 PolarHBondContact SG-OE2 3.41Å; S83-E85 VanDerWaalsContact C-N 3.3Å; S83-E85 VanDerWaalsContact CB-OE2 3.26Å; S83-E85 WeakPolarHBondContact CB-OE2 3.31Å; S83-E85 PolarHBondContact O-N 2.93Å; S83-E85 PolarHBondContact OG-N 3.46Å; S83-E85 PolarHBondContact OG-OE2 2.75Å; E85-I88 PolarHBondContact O-N 2.87Å; E85-R89 PolarHBondContact O-N 2.92Å; E85-R89 VanDerWaalsContact O-N 3.08Å
86	M	86.8	Confident	87.5	Confident	11 Å²	11	55.8 Å²	55.8	5%	0.054	24%	0.238	C	C	.	.	H	α-helix	trans	-69.8	-38.6	179.7	-172.3	58.1	154.9	0	0	112.2	S64 I68 T82 S83 R89 H90	S64-M86 WeakPolarHBondContact O-CE 3.49Å; I68-M86 HydrophobicContact CD1-CE 3.64Å; I68-M86 HydrophobicContact CD1-SD 4.43Å; I68-M86 HydrophobicContact CG1-CE 4.12Å; T82-M86 WeakPolarHBondContact OG1-CB 3.42Å; T82-M86 WeakPolarHBondContact OG1-CG 3.48Å; S83-M86 PolarHBondContact O-N 3.29Å; S83-M86 WeakPolarHBondContact OG-CB 3.22Å; S83-M86 PolarHBondContact OG-N 2.73Å; S83-M86 VanDerWaalsContact OG-N 3.09Å; M86-R89 PolarHBondContact O-N 3.42Å; M86-H90 PolarHBondContact O-N 3.16Å; M86-H90 PolarHBondContact O-ND1 2.88Å; M86-H90 PolarHBondContact SD-CE1 3.47Å; M86-H90 PolarHBondContact SD-ND1 3.38Å; M86-H90 VanDerWaalsContact SD-ND1 3.43Å
87	F	90.4	Very high	87.8	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.009	20%	0.203	C	C	.	.	H	α-helix	trans	-58.8	-49.6	171.9	169.2	-105.7	0	0	0	111.5	L30 L32 T82 S83 Y84 R89 H90 E91 F94 L120 L121 L124	L30-F87 HydrophobicContact CD2-CD2 4.28Å; L30-F87 HydrophobicContact CD2-CE2 4.32Å; L32-F87 HydrophobicContact CD1-CD1 4.3Å; L32-F87 HydrophobicContact CD1-CG 4.3Å; L32-F87 HydrophobicContact CD2-CB 3.86Å; L32-F87 HydrophobicContact CD2-CD2 4.44Å; L32-F87 HydrophobicContact CD2-CG 4.15Å; T82-F87 HydrophobicContact CG2-CB 4.4Å; S83-F87 WeakPolarHBondContact O-CB 3.16Å; S83-F87 PolarHBondContact O-N 3.09Å; Y84-F87 PolarHBondContact O-N 3.04Å; F87-R89 VanDerWaalsContact C-N 3.27Å; F87-R89 PolarHBondContact O-N 3.19Å; F87-H90 CarbonylContact O-C 3.57Å; F87-H90 PolarHBondContact O-N 3Å; F87-E91 WeakPolarHBondContact O-CA 3.22Å; F87-E91 PolarHBondContact O-N 3.44Å; F87-F94 HydrophobicContact CD2-CB 4.13Å; F87-F94 AromaticContact CD2-CD2 3.65Å; F87-F94 HydrophobicContact CD2-CD2 3.65Å; F87-F94 HydrophobicContact CD2-CE2 4.2Å; F87-F94 AromaticContact CD2-CG 3.87Å; F87-F94 HydrophobicContact CD2-CG 3.87Å; F87-F94 HydrophobicContact CE2-CB 3.83Å; F87-F94 HydrophobicContact CE2-CD2 4.19Å; F87-F94 HydrophobicContact CE2-CG 4.11Å; F87-L120 HydrophobicContact CE1-CB 3.77Å; F87-L120 HydrophobicContact CZ-CB 4.09Å; F87-L121 HydrophobicContact CD1-CD2 4.47Å; F87-L121 HydrophobicContact CE1-CD2 3.81Å; F87-L121 HydrophobicContact CE1-CG 4.02Å; F87-L121 HydrophobicContact CZ-CD2 3.94Å; F87-L121 HydrophobicContact CZ-CG 4.48Å; F87-L124 HydrophobicContact CE2-CD1 3.58Å; F87-L124 HydrophobicContact CE2-CG 4.5Å; F87-L124 HydrophobicContact CZ-CD1 3.43Å; F87-L124 VanDerWaalsContact CZ-CD1 3.43Å; F87-L124 HydrophobicContact CZ-CG 4.3Å
88	I	88.2	Confident	88	Confident	43 Å²	43	46.5 Å²	46.5	22%	0.221	21%	0.21	C	C	.	.	H	α-helix	trans	-59.7	-40.2	178.3	-65.3	162.5	0	0	0	111.1	Y84 E85 H90 K116 C117 L120	Y84-I88 WeakPolarHBondContact O-CD1 3.21Å; Y84-I88 VanDerWaalsContact O-CG1 3.24Å; Y84-I88 WeakPolarHBondContact O-CG1 3.42Å; Y84-I88 PolarHBondContact O-N 3.45Å; Y84-I88 VanDerWaalsContact O-N 3.09Å; E85-I88 PolarHBondContact O-N 2.87Å; I88-H90 VanDerWaalsContact C-N 3.3Å; I88-H90 PolarHBondContact O-N 2.88Å; I88-K116 HydrophobicContact CG2-CD 3.73Å; I88-K116 HydrophobicContact CG2-CG 4.16Å; I88-C117 HydrophobicContact CD1-CB 3.79Å; I88-C117 HydrophobicContact CG1-CB 4.12Å; I88-L120 HydrophobicContact CB-CD1 4.42Å; I88-L120 HydrophobicContact CG1-CD1 4.28Å; I88-L120 HydrophobicContact CG2-CD1 4.24Å
89	R	87.4	Confident	88.2	Confident	200 Å²	200	46.8 Å²	46.8	76%	0.755	21%	0.212	S	C	*	.	H	α-helix	trans	-67.5	-29.4	-178.1	-169	179.8	-73.9	168.9	-4.2	112.8	E85 M86 F87	E85-R89 PolarHBondContact O-N 2.92Å; E85-R89 VanDerWaalsContact O-N 3.08Å; M86-R89 PolarHBondContact O-N 3.42Å; F87-R89 VanDerWaalsContact C-N 3.27Å; F87-R89 PolarHBondContact O-N 3.19Å
90	H	86.9	Confident	88.3	Confident	45 Å²	45	48.7 Å²	48.7	21%	0.208	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	30.6	-174.4	-57.7	91.2	0	0	0	113.4	I68 M86 F87 I88 R92 L93 F94	I68-H90 HydrophobicContact CD1-CB 3.84Å; I68-H90 WeakPolarHBondContact CD1-ND1 3.16Å; M86-H90 PolarHBondContact O-N 3.16Å; M86-H90 PolarHBondContact O-ND1 2.88Å; M86-H90 PolarHBondContact SD-CE1 3.47Å; M86-H90 PolarHBondContact SD-ND1 3.38Å; M86-H90 VanDerWaalsContact SD-ND1 3.43Å; F87-H90 CarbonylContact O-C 3.57Å; F87-H90 PolarHBondContact O-N 3Å; I88-H90 VanDerWaalsContact C-N 3.3Å; I88-H90 PolarHBondContact O-N 2.88Å; H90-R92 PolarHBondContact O-N 3.38Å; H90-L93 HydrophobicContact CB-CD1 4.48Å; H90-L93 PolarHBondContact O-N 3.46Å; H90-L93 VanDerWaalsContact O-N 3.11Å; H90-F94 HydrophobicContact CB-CD2 4.42Å; H90-F94 HydrophobicContact CB-CE2 4.13Å; H90-F94 WeakPolarHBondContact O-CD2 3.49Å
91	E	87.4	Confident	88.4	Confident	43 Å²	43	48.8 Å²	48.8	20%	0.201	22%	0.223	C	C	.	.	H	α-helix	trans	-50.9	-34.8	-174.3	63.3	170	-102.4	0	0	114.1	F87 L93 F94 K95 L120	F87-E91 WeakPolarHBondContact O-CA 3.22Å; F87-E91 PolarHBondContact O-N 3.44Å; E91-L93 VanDerWaalsContact C-N 3.32Å; E91-L93 PolarHBondContact O-N 3.37Å; E91-F94 PolarHBondContact O-N 3.17Å; E91-K95 WeakPolarHBondContact O-CB 3.45Å; E91-K95 WeakPolarHBondContact O-CG 3.36Å; E91-K95 PolarHBondContact O-N 2.79Å; E91-K95 IonicContact OE1-NZ 2.66Å; E91-K95 PolarHBondContact OE1-NZ 3.15Å; E91-L120 HydrophobicContact CB-CD1 4.11Å; E91-L120 HydrophobicContact CB-CD2 4.23Å; E91-L120 HydrophobicContact CG-CD2 4.38Å; E91-L120 WeakPolarHBondContact OE1-CD2 3.3Å; E91-L120 WeakPolarHBondContact OE2-CD1 3.44Å; E91-L120 WeakPolarHBondContact OE2-CD2 3.44Å
92	R	86.9	Confident	88.5	Confident	202 Å²	202	48.9 Å²	48.9	76%	0.762	22%	0.223	S	C	*	.	H	α-helix	trans	-62.9	-40	-175.6	-66.4	-176.9	179.2	175	-1.5	111.5	H90 Q96	H90-R92 PolarHBondContact O-N 3.38Å; R92-Q96 WeakPolarHBondContact O-CG 3.05Å; R92-Q96 PolarHBondContact O-N 3.22Å
93	L	85.3	Confident	88.7	Confident	49 Å²	49	48.9 Å²	48.9	26%	0.257	22%	0.223	S	C	.	.	H	α-helix	trans	-72.5	-39.4	-179.9	-64.8	171.8	0	0	0	111.2	I68 H90 E91 Q96 C97	I68-L93 HydrophobicContact CG2-CD1 3.39Å; H90-L93 HydrophobicContact CB-CD1 4.48Å; H90-L93 PolarHBondContact O-N 3.46Å; H90-L93 VanDerWaalsContact O-N 3.11Å; E91-L93 VanDerWaalsContact C-N 3.32Å; E91-L93 PolarHBondContact O-N 3.37Å; L93-Q96 PolarHBondContact O-N 2.93Å; L93-C97 PolarHBondContact O-N 3.01Å
94	F	86	Confident	88.8	Confident	1 Å²	1	48.6 Å²	48.6	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-68	-35.8	176.1	-68.3	-71.6	0	0	0	112.2	L30 L62 L73 L80 T82 F87 H90 E91 Q96 C97	L30-F94 HydrophobicContact CD1-CD1 4.15Å; L30-F94 HydrophobicContact CD1-CE1 3.91Å; L30-F94 HydrophobicContact CD2-CD1 4.31Å; L62-F94 HydrophobicContact CD1-CE1 3.98Å; L62-F94 HydrophobicContact CD1-CZ 3.76Å; L73-F94 HydrophobicContact CD2-CE1 4.32Å; L80-F94 HydrophobicContact CD1-CE1 4.48Å; T82-F94 HydrophobicContact CG2-CE1 4.43Å; T82-F94 HydrophobicContact CG2-CZ 4.06Å; F87-F94 HydrophobicContact CD2-CB 4.13Å; F87-F94 AromaticContact CD2-CD2 3.65Å; F87-F94 HydrophobicContact CD2-CD2 3.65Å; F87-F94 HydrophobicContact CD2-CE2 4.2Å; F87-F94 AromaticContact CD2-CG 3.87Å; F87-F94 HydrophobicContact CD2-CG 3.87Å; F87-F94 HydrophobicContact CE2-CB 3.83Å; F87-F94 HydrophobicContact CE2-CD2 4.19Å; F87-F94 HydrophobicContact CE2-CG 4.11Å; H90-F94 HydrophobicContact CB-CD2 4.42Å; H90-F94 HydrophobicContact CB-CE2 4.13Å; H90-F94 WeakPolarHBondContact O-CD2 3.49Å; E91-F94 PolarHBondContact O-N 3.17Å; F94-Q96 VanDerWaalsContact C-N 3.31Å; F94-Q96 PolarHBondContact O-N 2.8Å; F94-C97 WeakPolarHBondContact O-CB 3.43Å; F94-C97 PolarHBondContact O-N 3.21Å; F94-C97 VanDerWaalsContact O-N 3.13Å; F94-C97 VanDerWaalsContact O-O 3.14Å
95	K	86	Confident	88.8	Confident	74 Å²	74	48.3 Å²	48.3	32%	0.322	22%	0.22	S	C	.	.	H	α-helix	trans	-64.2	-32.8	173.9	-77.8	174.8	176.7	168.2	0	113.1	E91 C97	E91-K95 WeakPolarHBondContact O-CB 3.45Å; E91-K95 WeakPolarHBondContact O-CG 3.36Å; E91-K95 PolarHBondContact O-N 2.79Å; E91-K95 IonicContact OE1-NZ 2.66Å; E91-K95 PolarHBondContact OE1-NZ 3.15Å; K95-C97 VanDerWaalsContact C-N 3.28Å
96	Q	85.2	Confident	88.6	Confident	133 Å²	133	44.5 Å²	44.5	62%	0.621	20%	0.203	S	C	*	.	H	α-helix	trans	-76.3	-18.1	174.9	-70.6	172.9	-6.8	0	0	112.6	Y74 R92 L93 F94	Y74-Q96 PolarHBondContact OH-OE1 2.9Å; R92-Q96 WeakPolarHBondContact O-CG 3.05Å; R92-Q96 PolarHBondContact O-N 3.22Å; L93-Q96 PolarHBondContact O-N 2.93Å; F94-Q96 VanDerWaalsContact C-N 3.31Å; F94-Q96 PolarHBondContact O-N 2.8Å
97	C	83.1	Confident	88.5	Confident	3 Å²	3	44 Å²	44	2%	0.02	20%	0.2	C	C	.	.	S	Bend	trans	-86.4	116.2	177.9	-161.1	0	0	0	0	110	R28 L73 Y74 L93 F94 K95 I99	R28-C97 PolarHBondContact NH1-SG 3.27Å; L73-C97 PolarHBondContact O-SG 3.33Å; L73-C97 VanDerWaalsContact O-SG 3.38Å; Y74-C97 HydrophobicContact CD1-CB 4.49Å; Y74-C97 HydrophobicContact CE1-CB 4.24Å; L93-C97 PolarHBondContact O-N 3.01Å; F94-C97 WeakPolarHBondContact O-CB 3.43Å; F94-C97 PolarHBondContact O-N 3.21Å; F94-C97 VanDerWaalsContact O-N 3.13Å; F94-C97 VanDerWaalsContact O-O 3.14Å; K95-C97 VanDerWaalsContact C-N 3.28Å; C97-I99 VanDerWaalsContact C-N 3.31Å; C97-I99 HydrophobicContact CB-CG1 4.36Å; C97-I99 PolarHBondContact O-N 2.97Å
98	A	87	Confident	87.7	Confident	51 Å²	51	45.4 Å²	45.4	42%	0.421	21%	0.207	S	C	.	.			trans	-67.4	87.4	171.2	0	0	0	0	0	111.3	R28	R28-A98 PolarHBondContact NE-O 3.46Å; R28-A98 VanDerWaalsContact NH1-N 3.13Å; R28-A98 PolarHBondContact NH1-O 3.32Å; R28-A98 VanDerWaalsContact NH2-CB 3.25Å; R28-A98 PolarHBondContact NH2-O 3.49Å; R28-A98 VanDerWaalsContact NH2-O 3.11Å
99	I	91	Very high	87.1	Confident	6 Å²	6	49.8 Å²	49.8	3%	0.031	22%	0.22	C	C	.	.			trans	-81.6	129.6	177.9	-67	155.4	0	0	0	108.8	L30 C97 L101 L124 V126	L30-I99 HydrophobicContact CB-CD1 3.96Å; L30-I99 HydrophobicContact CB-CG1 4.25Å; L30-I99 HydrophobicContact CB-CG2 3.8Å; L30-I99 HydrophobicContact CD2-CD1 3.67Å; L30-I99 HydrophobicContact CG-CD1 4.39Å; C97-I99 VanDerWaalsContact C-N 3.31Å; C97-I99 HydrophobicContact CB-CG1 4.36Å; C97-I99 PolarHBondContact O-N 2.97Å; I99-L101 WeakPolarHBondContact CG2-O 3.29Å; I99-L124 HydrophobicContact CD1-CD2 4.05Å; I99-V126 HydrophobicContact CB-CG2 3.8Å; I99-V126 HydrophobicContact CG2-CG1 4.26Å; I99-V126 HydrophobicContact CG2-CG2 3.8Å
100	D	92	Very high	86.5	Confident	47 Å²	47	40.5 Å²	40.5	25%	0.251	19%	0.186	S	C	.	.	S	Bend	trans	-93.8	-25	-177.3	-55.7	-52.9	0	0	0	112.5	V26 N27 R28	V26-D100 HydrophobicContact CB-CB 4.3Å; V26-D100 HydrophobicContact CG1-CB 3.88Å; V26-D100 HydrophobicContact CG2-CB 4.46Å; N27-D100 WeakPolarHBondContact CA-OD2 3.29Å; N27-D100 WeakPolarHBondContact CB-OD2 3.28Å; N27-D100 PolarHBondContact N-OD2 3.07Å; R28-D100 PolarHBondContact N-OD2 3.18Å; R28-D100 PolarHBondContact O-N 2.79Å
101	L	94	Very high	85.7	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	126.3	-179.6	176.3	63.9	0	0	0	111.2	V13 L16 V26 R28 V29 L30 I99 I103 K128 I130	V13-L101 HydrophobicContact CG2-CD2 4.06Å; L16-L101 HydrophobicContact CD1-CD2 4.18Å; V26-L101 HydrophobicContact CG1-CB 3.7Å; V26-L101 HydrophobicContact CG1-CD2 4.39Å; V26-L101 HydrophobicContact CG2-CB 4.31Å; R28-L101 PolarHBondContact O-N 2.95Å; V29-L101 WeakPolarHBondContact CA-O 3.48Å; V29-L101 HydrophobicContact CG1-CB 4.41Å; V29-L101 HydrophobicContact CG1-CD2 4.19Å; V29-L101 HydrophobicContact CG1-CG 4.28Å; V29-L101 HydrophobicContact CG2-CB 4.25Å; V29-L101 HydrophobicContact CG2-CD2 4.22Å; L30-L101 PolarHBondContact N-O 3.2Å; I99-L101 WeakPolarHBondContact CG2-O 3.29Å; L101-I103 HydrophobicContact CD2-CD1 4.13Å; L101-I103 HydrophobicContact CD2-CG1 4.29Å; L101-I103 HydrophobicContact CG-CD1 4.47Å; L101-I103 HydrophobicContact CG-CG1 4.1Å; L101-K128 WeakPolarHBondContact CA-O 3.29Å; L101-K128 HydrophobicContact CD1-CB 3.74Å; L101-K128 WeakPolarHBondContact CD1-O 3.49Å; L101-I130 HydrophobicContact CD1-CD1 4.01Å; L101-I130 HydrophobicContact CD1-CG1 4.09Å
102	L	95.1	Very high	84.7	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	128.5	172.5	174.2	66.1	0	0	0	110.1	L30 L32 L121 V126 K128 R129 I130	L30-L102 HydrophobicContact CB-CD1 4.3Å; L30-L102 HydrophobicContact CD2-CD1 4Å; L30-L102 HydrophobicContact CG-CD1 4.12Å; L32-L102 HydrophobicContact CD1-CD1 4.07Å; L32-L102 HydrophobicContact CG-CD1 4.22Å; L102-L121 HydrophobicContact CD1-CD2 4.05Å; L102-L121 HydrophobicContact CD2-CD2 3.75Å; L102-V126 HydrophobicContact CB-CG1 3.93Å; L102-K128 PolarHBondContact N-O 2.98Å; L102-R129 HydrophobicContact CB-CG 4.37Å; L102-R129 HydrophobicContact CD2-CG 4.45Å; L102-R129 CarbonylContact O-C 3.55Å; L102-R129 WeakPolarHBondContact O-CA 3.43Å; L102-I130 PolarHBondContact O-N 2.79Å
103	I	95.4	Very high	83.2	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.3	173.4	-56	179.4	0	0	0	108.6	V13 V29 L30 L31 L32 L101 I130 L132	V13-I103 HydrophobicContact CG2-CD1 3.45Å; V13-I103 VanDerWaalsContact CG2-CD1 3.45Å; V29-I103 HydrophobicContact CG1-CD1 3.92Å; V29-I103 HydrophobicContact CG1-CG1 4.25Å; L30-I103 PolarHBondContact O-N 3.18Å; L31-I103 CarbonylContact C-O 3.59Å; L31-I103 WeakPolarHBondContact CA-O 3.28Å; L31-I103 HydrophobicContact CB-CB 4.49Å; L31-I103 HydrophobicContact CD1-CB 4.49Å; L31-I103 HydrophobicContact CD1-CD1 4.5Å; L31-I103 HydrophobicContact CD1-CG2 4.29Å; L31-I103 HydrophobicContact CG-CB 4.09Å; L31-I103 HydrophobicContact CG-CG2 4.09Å; L32-I103 PolarHBondContact N-O 3Å; L101-I103 HydrophobicContact CD2-CD1 4.13Å; L101-I103 HydrophobicContact CD2-CG1 4.29Å; L101-I103 HydrophobicContact CG-CD1 4.47Å; L101-I103 HydrophobicContact CG-CG1 4.1Å; I103-I130 CarbonylContact C-O 3.59Å; I103-I130 VanDerWaalsContact CA-O 3.32Å; I103-I130 WeakPolarHBondContact CA-O 3.3Å; I103-I130 HydrophobicContact CG1-CB 4.38Å; I103-L132 HydrophobicContact CG2-CD1 3.92Å; I103-L132 HydrophobicContact CG2-CG 4.32Å
104	C	93.2	Very high	81.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	113.4	176.8	-69.8	0	0	0	0	109.8	Y84 A107 L110 I130 L131 L132	Y84-C104 WeakPolarHBondContact OH-CB 3.4Å; C104-A107 HydrophobicContact CB-CB 4.44Å; C104-L110 HydrophobicContact CB-CD1 4.17Å; C104-I130 PolarHBondContact N-O 2.79Å; C104-L131 HydrophobicContact CB-CD2 3.53Å; C104-L132 PolarHBondContact O-N 2.81Å
105	D	90.1	Very high	80.9	Confident	5 Å²	5	44 Å²	44	3%	0.027	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	144.2	176	-168.2	28.1	0	0	0	113	L32 A33 W41 Y84 A107 L132	L32-D105 PolarHBondContact O-N 3.5Å; A33-D105 HydrophobicContact CB-CB 4.08Å; W41-D105 HydrophobicContact CZ2-CB 4.18Å; W41-D105 PolarHBondContact NE1-OD2 2.81Å; Y84-D105 WeakPolarHBondContact CE2-O 3.18Å; Y84-D105 PolarHBondContact OH-N 3.37Å; Y84-D105 PolarHBondContact OH-O 2.61Å; D105-A107 VanDerWaalsContact C-N 3.26Å; D105-A107 PolarHBondContact O-N 3.26Å; D105-L132 HydrophobicContact CB-CD1 4.43Å
106	E	83	Confident	80.6	Confident	16 Å²	16	46.7 Å²	46.7	8%	0.075	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	50	48.4	-167.6	-62.9	-54.4	147.9	0	0	112.3	M1 K5 P34 L37 H108 R109 L132	M1-E106 VanDerWaalsContact CE-OE1 3.27Å; M1-E106 WeakPolarHBondContact CE-OE1 3.37Å; K5-E106 IonicContact NZ-OE1 2.77Å; K5-E106 PolarHBondContact NZ-OE1 2.76Å; P34-E106 HydrophobicContact CG-CB 4.16Å; P34-E106 HydrophobicContact CG-CG 4.49Å; L37-E106 HydrophobicContact CD1-CG 4.01Å; E106-H108 PolarHBondContact O-N 3.21Å; E106-H108 IonicContact OE2-CE1 3.25Å; E106-H108 PolarHBondContact OE2-CE1 3.45Å; E106-H108 IonicContact OE2-ND1 3.04Å; E106-H108 PolarHBondContact OE2-ND1 2.78Å; E106-R109 PolarHBondContact O-N 2.85Å; E106-L132 WeakPolarHBondContact CA-O 3.29Å; E106-L132 PolarHBondContact N-O 3.48Å
107	A	84.8	Confident	80.5	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-56.1	-18.9	-176.4	0	0	0	0	0	113.7	C104 D105 R109 L110 L131 L132 L147	C104-A107 HydrophobicContact CB-CB 4.44Å; D105-A107 VanDerWaalsContact C-N 3.26Å; D105-A107 PolarHBondContact O-N 3.26Å; A107-R109 PolarHBondContact O-N 3.38Å; A107-L110 VanDerWaalsContact O-CB 3.32Å; A107-L110 WeakPolarHBondContact O-CB 3.3Å; A107-L110 PolarHBondContact O-N 2.89Å; A107-L131 HydrophobicContact CB-CB 3.84Å; A107-L131 HydrophobicContact CB-CD2 4.39Å; A107-L131 HydrophobicContact CB-CG 4.47Å; A107-L132 PolarHBondContact N-O 2.66Å; A107-L147 HydrophobicContact CB-CD2 4.17Å; A107-L147 WeakPolarHBondContact O-CD2 3.5Å
108	H	74.6	Confident	80.5	Confident	32 Å²	32	40.9 Å²	40.9	15%	0.148	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-58.3	-4.9	168.5	77.6	-89.7	0	0	0	114	E106 K111	E106-H108 PolarHBondContact O-N 3.21Å; E106-H108 IonicContact OE2-CE1 3.25Å; E106-H108 PolarHBondContact OE2-CE1 3.45Å; E106-H108 IonicContact OE2-ND1 3.04Å; E106-H108 PolarHBondContact OE2-ND1 2.78Å; H108-K111 WeakPolarHBondContact O-CD 3.46Å; H108-K111 WeakPolarHBondContact O-CE 3.41Å; H108-K111 WeakPolarHBondContact O-CG 3.14Å
109	R	74.9	Confident	80.4	Confident	134 Å²	134	41.4 Å²	41.4	51%	0.506	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-79.4	-18.1	167	-69.7	-175.2	168.5	-156.6	-3	113.6	E106 A107 K111	E106-R109 PolarHBondContact O-N 2.85Å; A107-R109 PolarHBondContact O-N 3.38Å; R109-K111 PolarHBondContact O-N 2.99Å
110	L	75.3	Confident	80.3	Confident	6 Å²	6	41.5 Å²	41.5	3%	0.031	21%	0.206	C	C	.	.			trans	-89.6	17.9	-177.9	-56.1	173.7	0	0	0	113.1	Y84 C104 A107 N112 C117 S118 L121 L147 L150	Y84-L110 HydrophobicContact CD1-CD2 4.13Å; Y84-L110 HydrophobicContact CE1-CD1 4.13Å; Y84-L110 HydrophobicContact CE1-CD2 3.85Å; Y84-L110 HydrophobicContact CE1-CG 4.24Å; C104-L110 HydrophobicContact CB-CD1 4.17Å; A107-L110 VanDerWaalsContact O-CB 3.32Å; A107-L110 WeakPolarHBondContact O-CB 3.3Å; A107-L110 PolarHBondContact O-N 2.89Å; L110-N112 VanDerWaalsContact C-N 3.3Å; L110-N112 PolarHBondContact O-N 2.81Å; L110-C117 HydrophobicContact CD2-CB 4.05Å; L110-S118 PolarHBondContact O-OG 3.24Å; L110-L121 HydrophobicContact CD1-CD1 3.86Å; L110-L121 HydrophobicContact CD2-CD1 4.07Å; L110-L147 HydrophobicContact CB-CD2 4.06Å; L110-L150 HydrophobicContact CD1-CD2 3.7Å
111	K	69.4	Low	80.2	Confident	36 Å²	36	39.3 Å²	39.3	16%	0.157	19%	0.194	C	C	.	.			trans	-51.6	-38.5	-173.5	-85.5	169.5	175.3	-150.8	0	116	H108 R109 Q138 E143	H108-K111 WeakPolarHBondContact O-CD 3.46Å; H108-K111 WeakPolarHBondContact O-CE 3.41Å; H108-K111 WeakPolarHBondContact O-CG 3.14Å; R109-K111 PolarHBondContact O-N 2.99Å; K111-Q138 VanDerWaalsContact NZ-CB 3.27Å; K111-E143 HydrophobicContact CB-CB 4.37Å; K111-E143 HydrophobicContact CB-CG 3.66Å; K111-E143 HydrophobicContact CD-CG 4.08Å; K111-E143 WeakPolarHBondContact CD-OE1 3.5Å; K111-E143 WeakPolarHBondContact CD-OE2 3.29Å; K111-E143 WeakPolarHBondContact CE-OE2 3.49Å; K111-E143 HydrophobicContact CG-CB 3.98Å; K111-E143 VanDerWaalsContact CG-CD 3.4Å; K111-E143 HydrophobicContact CG-CG 3.54Å; K111-E143 IonicContact NZ-OE1 2.8Å; K111-E143 IonicContact NZ-OE2 2.79Å; K111-E143 PolarHBondContact NZ-OE2 2.85Å
112	N	65.6	Low	79.8	Confident	110 Å²	110	42.6 Å²	42.6	59%	0.588	21%	0.207	S	C	*	.			trans	-89.5	113.8	177.5	-79.1	-14.3	0	0	0	108.5	L110 F114 A115 S118	L110-N112 VanDerWaalsContact C-N 3.3Å; L110-N112 PolarHBondContact O-N 2.81Å; N112-F114 PolarHBondContact O-N 2.71Å; N112-F114 VanDerWaalsContact O-N 3.13Å; N112-A115 HydrophobicContact CB-CB 4.03Å; N112-A115 WeakPolarHBondContact O-CB 3.39Å; N112-A115 PolarHBondContact O-N 2.8Å; N112-S118 PolarHBondContact O-OG 2.89Å
113	A	55.7	Low	79.5	Confident	34 Å²	34	47.8 Å²	47.8	28%	0.281	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-30.7	171.4	0	0	0	0	0	112.3	A115	A113-A115 VanDerWaalsContact C-N 3.34Å
114	F	53.4	Low	79.1	Confident	197 Å²	197	48.1 Å²	48.1	86%	0.864	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-4.9	177	-52.4	-70.6	0	0	0	114.3	N112 K116	N112-F114 PolarHBondContact O-N 2.71Å; N112-F114 VanDerWaalsContact O-N 3.13Å; F114-K116 PolarHBondContact O-N 2.87Å
115	A	70.2	Confident	78.8	Confident	35 Å²	35	52.7 Å²	52.7	29%	0.289	27%	0.265	S	S	.	.	S	Bend	trans	-63.9	130.7	172.7	0	0	0	0	0	108.2	N112 A113 C117 S118 T119	N112-A115 HydrophobicContact CB-CB 4.03Å; N112-A115 WeakPolarHBondContact O-CB 3.39Å; N112-A115 PolarHBondContact O-N 2.8Å; A113-A115 VanDerWaalsContact C-N 3.34Å; A115-C117 PolarHBondContact O-N 2.85Å; A115-S118 PolarHBondContact O-N 2.94Å; A115-T119 PolarHBondContact O-N 3.19Å; A115-T119 PolarHBondContact O-OG1 3.18Å
116	K	79.1	Confident	78.8	Confident	132 Å²	132	53 Å²	53	57%	0.574	27%	0.267	S	S	*	.	H	α-helix	trans	-44.6	-37.3	-179.5	-173.9	175.4	-179.9	-178.6	0	113	I88 F114 L120	I88-K116 HydrophobicContact CG2-CD 3.73Å; I88-K116 HydrophobicContact CG2-CG 4.16Å; F114-K116 PolarHBondContact O-N 2.87Å; K116-L120 HydrophobicContact CG-CD1 4.1Å; K116-L120 WeakPolarHBondContact O-CG 3.42Å; K116-L120 PolarHBondContact O-N 2.75Å
117	C	83.8	Confident	78.9	Confident	11 Å²	11	59.4 Å²	59.4	7%	0.074	30%	0.302	C	S	.	.	H	α-helix	trans	-61.5	-50.8	176.9	-159.9	0	0	0	0	113.2	I88 L110 A115 T119 L120 L121	I88-C117 HydrophobicContact CD1-CB 3.79Å; I88-C117 HydrophobicContact CG1-CB 4.12Å; L110-C117 HydrophobicContact CD2-CB 4.05Å; A115-C117 PolarHBondContact O-N 2.85Å; C117-T119 PolarHBondContact O-N 3.33Å; C117-L120 PolarHBondContact O-N 2.77Å; C117-L121 WeakPolarHBondContact O-CG 3.21Å; C117-L121 PolarHBondContact O-N 2.8Å
118	S	82.9	Confident	79.2	Confident	3 Å²	3	63.3 Å²	63.3	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-60.6	-46.5	-178.4	-55.7	0	0	0	0	110.7	L110 N112 A115 L120 L121 Y122	L110-S118 PolarHBondContact O-OG 3.24Å; N112-S118 PolarHBondContact O-OG 2.89Å; A115-S118 PolarHBondContact O-N 2.94Å; S118-L120 VanDerWaalsContact C-N 3.29Å; S118-L120 PolarHBondContact O-N 2.83Å; S118-L121 PolarHBondContact O-N 2.96Å; S118-L121 VanDerWaalsContact O-N 3.07Å; S118-Y122 WeakPolarHBondContact O-CD2 3.27Å; S118-Y122 PolarHBondContact O-N 3.2Å
119	T	85.7	Confident	80.2	Confident	61 Å²	61	63.7 Å²	63.7	37%	0.374	32%	0.319	S	S	.	.	H	α-helix	trans	-57.5	-41.3	176.7	-42.3	0	0	0	0	112.4	A115 C117 Y122 Q123	A115-T119 PolarHBondContact O-N 3.19Å; A115-T119 PolarHBondContact O-OG1 3.18Å; C117-T119 PolarHBondContact O-N 3.33Å; T119-Y122 PolarHBondContact O-N 2.9Å; T119-Q123 WeakPolarHBondContact O-CG 3.32Å; T119-Q123 PolarHBondContact O-N 3.33Å
120	L	88.4	Confident	81.1	Confident	9 Å²	9	59.2 Å²	59.2	5%	0.047	31%	0.305	C	S	.	.	H	α-helix	trans	-69.7	-32.8	177.3	-68.6	173.1	0	0	0	113	F87 I88 E91 K116 C117 S118 Q123 L124	F87-L120 HydrophobicContact CE1-CB 3.77Å; F87-L120 HydrophobicContact CZ-CB 4.09Å; I88-L120 HydrophobicContact CB-CD1 4.42Å; I88-L120 HydrophobicContact CG1-CD1 4.28Å; I88-L120 HydrophobicContact CG2-CD1 4.24Å; E91-L120 HydrophobicContact CB-CD1 4.11Å; E91-L120 HydrophobicContact CB-CD2 4.23Å; E91-L120 HydrophobicContact CG-CD2 4.38Å; E91-L120 WeakPolarHBondContact OE1-CD2 3.3Å; E91-L120 WeakPolarHBondContact OE2-CD1 3.44Å; E91-L120 WeakPolarHBondContact OE2-CD2 3.44Å; K116-L120 HydrophobicContact CG-CD1 4.1Å; K116-L120 WeakPolarHBondContact O-CG 3.42Å; K116-L120 PolarHBondContact O-N 2.75Å; C117-L120 PolarHBondContact O-N 2.77Å; S118-L120 VanDerWaalsContact C-N 3.29Å; S118-L120 PolarHBondContact O-N 2.83Å; L120-Q123 PolarHBondContact O-N 2.9Å; L120-L124 PolarHBondContact O-N 3.14Å
121	L	89.5	Confident	81.9	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-70.7	-32.9	174.8	-67	166.7	0	0	0	112.2	L32 F87 L102 L110 C117 S118 Q123 L124 R129 L150	L32-L121 HydrophobicContact CD1-CD1 4.33Å; L32-L121 HydrophobicContact CD1-CD2 3.48Å; L32-L121 VanDerWaalsContact CD1-CD2 3.48Å; L32-L121 HydrophobicContact CD1-CG 4.45Å; F87-L121 HydrophobicContact CD1-CD2 4.47Å; F87-L121 HydrophobicContact CE1-CD2 3.81Å; F87-L121 HydrophobicContact CE1-CG 4.02Å; F87-L121 HydrophobicContact CZ-CD2 3.94Å; F87-L121 HydrophobicContact CZ-CG 4.48Å; L102-L121 HydrophobicContact CD1-CD2 4.05Å; L102-L121 HydrophobicContact CD2-CD2 3.75Å; L110-L121 HydrophobicContact CD1-CD1 3.86Å; L110-L121 HydrophobicContact CD2-CD1 4.07Å; C117-L121 WeakPolarHBondContact O-CG 3.21Å; C117-L121 PolarHBondContact O-N 2.8Å; S118-L121 PolarHBondContact O-N 2.96Å; S118-L121 VanDerWaalsContact O-N 3.07Å; L121-Q123 VanDerWaalsContact C-N 3.33Å; L121-L124 HydrophobicContact CD2-CD1 3.94Å; L121-L124 PolarHBondContact O-N 3.39Å; L121-R129 PolarHBondContact O-NH2 3.39Å; L121-L150 HydrophobicContact CB-CD1 3.79Å; L121-L150 HydrophobicContact CD1-CD2 4.24Å
122	Y	86	Confident	82.8	Confident	71 Å²	71	60 Å²	60	28%	0.278	31%	0.31	S	S	.	.	H	α-helix	trans	-64.2	-38.4	171	-78.7	-74.1	0	0	0	112.4	S118 T119 L124 D149 L150	S118-Y122 WeakPolarHBondContact O-CD2 3.27Å; S118-Y122 PolarHBondContact O-N 3.2Å; T119-Y122 PolarHBondContact O-N 2.9Å; Y122-L124 PolarHBondContact O-N 2.7Å; Y122-D149 VanDerWaalsContact CE1-OD2 3.27Å; Y122-D149 WeakPolarHBondContact CE1-OD2 2.89Å; Y122-D149 VanDerWaalsContact CZ-OD2 3.27Å; Y122-D149 PolarHBondContact OH-OD2 3.1Å; Y122-L150 HydrophobicContact CD1-CD1 4.34Å; Y122-L150 HydrophobicContact CD2-CD1 4.14Å; Y122-L150 HydrophobicContact CE1-CD1 4.25Å; Y122-L150 HydrophobicContact CE2-CD1 4Å; Y122-L150 HydrophobicContact CG-CD1 4.29Å; Y122-L150 PolarHBondContact OH-N 3.32Å
123	Q	87.6	Confident	83.6	Confident	111 Å²	111	56.4 Å²	56.4	52%	0.519	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-12.5	179.7	-68.5	173.8	-1.3	0	0	114.1	T119 L120 L121	T119-Q123 WeakPolarHBondContact O-CG 3.32Å; T119-Q123 PolarHBondContact O-N 3.33Å; L120-Q123 PolarHBondContact O-N 2.9Å; L121-Q123 VanDerWaalsContact C-N 3.33Å
124	L	88.4	Confident	84.4	Confident	7 Å²	7	55.6 Å²	55.6	4%	0.037	29%	0.287	C	S	.	.	S	Bend	trans	-75.1	123.3	175.2	-88.8	166.1	0	0	0	110.4	L30 F87 I99 L120 L121 Y122 V126 R129	L30-L124 HydrophobicContact CD2-CD1 4.46Å; F87-L124 HydrophobicContact CE2-CD1 3.58Å; F87-L124 HydrophobicContact CE2-CG 4.5Å; F87-L124 HydrophobicContact CZ-CD1 3.43Å; F87-L124 VanDerWaalsContact CZ-CD1 3.43Å; F87-L124 HydrophobicContact CZ-CG 4.3Å; I99-L124 HydrophobicContact CD1-CD2 4.05Å; L120-L124 PolarHBondContact O-N 3.14Å; L121-L124 HydrophobicContact CD2-CD1 3.94Å; L121-L124 PolarHBondContact O-N 3.39Å; Y122-L124 PolarHBondContact O-N 2.7Å; L124-V126 VanDerWaalsContact C-N 3.26Å; L124-V126 HydrophobicContact CB-CG2 4.09Å; L124-V126 PolarHBondContact O-N 3.1Å; L124-R129 PolarHBondContact O-NH2 3.37Å; L124-R129 VanDerWaalsContact O-NH2 3.08Å
125	S	85.5	Confident	85	Confident	97 Å²	97	46.9 Å²	46.9	68%	0.678	25%	0.25	S	S	*	.			trans	-74.2	78.1	174.4	56.7	0	0	0	0	110.3
126	V	90.7	Very high	84.3	Confident	10 Å²	10	46 Å²	46	6%	0.061	24%	0.242	C	C	.	.			trans	-131.3	117.8	-180	-176.1	0	0	0	0	109.7	I99 L102 L124 K128 R129	I99-V126 HydrophobicContact CB-CG2 3.8Å; I99-V126 HydrophobicContact CG2-CG1 4.26Å; I99-V126 HydrophobicContact CG2-CG2 3.8Å; L102-V126 HydrophobicContact CB-CG1 3.93Å; L124-V126 VanDerWaalsContact C-N 3.26Å; L124-V126 HydrophobicContact CB-CG2 4.09Å; L124-V126 PolarHBondContact O-N 3.1Å; V126-K128 VanDerWaalsContact CG1-O 3.3Å; V126-K128 WeakPolarHBondContact CG1-O 3.25Å; V126-R129 PolarHBondContact O-NE 3.09Å
127	D	85.2	Confident	83.3	Confident	152 Å²	152	40.1 Å²	40.1	81%	0.813	22%	0.217	S	C	*	.	S	Bend	trans	-73	-37.8	-177.6	-60.6	-19.6	0	0	0	112.9
128	K	92.3	Very high	81.7	Confident	82 Å²	82	41.6 Å²	41.6	36%	0.357	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	121.7	-173.1	-55.5	179.8	-170.1	71.2	0	110	V26 L101 L102 V126	V26-K128 HydrophobicContact CG2-CD 4.31Å; L101-K128 WeakPolarHBondContact CA-O 3.29Å; L101-K128 HydrophobicContact CD1-CB 3.74Å; L101-K128 WeakPolarHBondContact CD1-O 3.49Å; L102-K128 PolarHBondContact N-O 2.98Å; V126-K128 VanDerWaalsContact CG1-O 3.3Å; V126-K128 WeakPolarHBondContact CG1-O 3.25Å
129	R	93.7	Very high	80.3	Confident	39 Å²	39	44.7 Å²	44.7	15%	0.147	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	134	-176.2	-57.4	179.6	179.8	-157.3	-5.6	110.5	L102 L121 L124 V126 L150	L102-R129 HydrophobicContact CB-CG 4.37Å; L102-R129 HydrophobicContact CD2-CG 4.45Å; L102-R129 CarbonylContact O-C 3.55Å; L102-R129 WeakPolarHBondContact O-CA 3.43Å; L121-R129 PolarHBondContact O-NH2 3.39Å; L124-R129 PolarHBondContact O-NH2 3.37Å; L124-R129 VanDerWaalsContact O-NH2 3.08Å; V126-R129 PolarHBondContact O-NE 3.09Å; R129-L150 WeakPolarHBondContact CD-O 3.32Å; R129-L150 PolarHBondContact NH1-O 3.11Å
130	I	94.2	Very high	79.3	Confident	40 Å²	40	44.5 Å²	44.5	21%	0.205	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	119.9	177.1	-60.9	177.8	0	0	0	108.6	L12 L101 L102 I103 C104 L132	L12-I130 HydrophobicContact CD2-CD1 3.26Å; L101-I130 HydrophobicContact CD1-CD1 4.01Å; L101-I130 HydrophobicContact CD1-CG1 4.09Å; L102-I130 PolarHBondContact O-N 2.79Å; I103-I130 CarbonylContact C-O 3.59Å; I103-I130 VanDerWaalsContact CA-O 3.32Å; I103-I130 WeakPolarHBondContact CA-O 3.3Å; I103-I130 HydrophobicContact CG1-CB 4.38Å; C104-I130 PolarHBondContact N-O 2.79Å; I130-L132 HydrophobicContact CG2-CD2 3.79Å; I130-L132 HydrophobicContact CG2-CG 4.4Å
131	L	91.6	Very high	78.6	Confident	38 Å²	38	44 Å²	44	20%	0.199	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.3	175.7	-55.8	-173.3	0	0	0	109.3	C104 A107 L147 L150 A151	C104-L131 HydrophobicContact CB-CD2 3.53Å; A107-L131 HydrophobicContact CB-CB 3.84Å; A107-L131 HydrophobicContact CB-CD2 4.39Å; A107-L131 HydrophobicContact CB-CG 4.47Å; L131-L147 HydrophobicContact CD1-CB 4.19Å; L131-L147 HydrophobicContact CD1-CD2 4.36Å; L131-L147 WeakPolarHBondContact CD1-O 3.41Å; L131-L150 HydrophobicContact CD1-CB 4.34Å; L131-L150 HydrophobicContact CD1-CD2 4.22Å; L131-L150 HydrophobicContact CD1-CG 4.47Å; L131-L150 HydrophobicContact CD2-CD2 4.09Å; L131-A151 HydrophobicContact CD1-CB 3.82Å; L131-A151 HydrophobicContact CG-CB 4.02Å
132	L	90.2	Very high	78	Confident	20 Å²	20	46.9 Å²	46.9	11%	0.105	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	125.8	176.3	-48.4	172.2	0	0	0	108.8	C9 W41 I103 C104 D105 E106 A107 I130	C9-L132 HydrophobicContact CB-CD1 4.29Å; C9-L132 WeakPolarHBondContact SG-CD1 3.49Å; C9-L132 WeakPolarHBondContact SG-CD2 3.28Å; W41-L132 HydrophobicContact CH2-CD1 3.98Å; W41-L132 HydrophobicContact CZ2-CD1 3.81Å; I103-L132 HydrophobicContact CG2-CD1 3.92Å; I103-L132 HydrophobicContact CG2-CG 4.32Å; C104-L132 PolarHBondContact O-N 2.81Å; D105-L132 HydrophobicContact CB-CD1 4.43Å; E106-L132 WeakPolarHBondContact CA-O 3.29Å; E106-L132 PolarHBondContact N-O 3.48Å; A107-L132 PolarHBondContact N-O 2.66Å; I130-L132 HydrophobicContact CG2-CD2 3.79Å; I130-L132 HydrophobicContact CG2-CG 4.4Å
133	T	82.1	Confident	77.5	Confident	35 Å²	35	44.9 Å²	44.9	22%	0.215	24%	0.241	C	C	.	.			trans	-144.3	140.4	175.2	179.6	0	0	0	0	110	T135 P136	T133-T135 VanDerWaalsContact OG1-C 3.26Å; T133-T135 PolarHBondContact OG1-N 2.65Å; T133-T135 VanDerWaalsContact OG1-N 3.14Å; T133-T135 PolarHBondContact OG1-O 3.32Å; T133-P136 HydrophobicContact CG2-CB 4.22Å
134	G	71.6	Confident	77.2	Confident	17 Å²	17	39.8 Å²	39.8	18%	0.175	22%	0.217	C	C	.	.	S	Bend	trans	-76.9	-16.1	170.9	0	0	0	0	0	113.7
135	T	66.1	Low	77	Confident	15 Å²	15	40.2 Å²	40.2	9%	0.092	22%	0.219	C	C	.	.			trans	-142.9	98.3	-178.9	43.5	0	0	0	0	109	T133 V137 Q138 T418	T133-T135 VanDerWaalsContact OG1-C 3.26Å; T133-T135 PolarHBondContact OG1-N 2.65Å; T133-T135 VanDerWaalsContact OG1-N 3.14Å; T133-T135 PolarHBondContact OG1-O 3.32Å; T135-V137 PolarHBondContact O-N 3.25Å; T135-Q138 HydrophobicContact CG2-CG 4.48Å; T135-Q138 VanDerWaalsContact OG1-CG 3.29Å; T135-Q138 WeakPolarHBondContact OG1-CG 3.39Å; T135-Q138 PolarHBondContact OG1-NE2 2.82Å; T135-T418 HydrophobicContact CG2-CG2 3.13Å; T135-T418 WeakPolarHBondContact CG2-OG1 3.24Å
136	P	56.6	Low	76.9	Confident	16 Å²	16	36.1 Å²	36.1	10%	0.104	19%	0.19	C	C	.	.	S	Bend	trans	-60.4	-30.5	-177.6	23.5	-31.6	0	0	0	112.2	T133 L201	T133-P136 HydrophobicContact CG2-CB 4.22Å; P136-L201 HydrophobicContact CB-CD1 4.19Å
137	V	57.8	Low	76.6	Confident	9 Å²	9	36.3 Å²	36.3	6%	0.055	19%	0.191	C	C	.	.			trans	-134.9	117.5	178.2	-165.9	0	0	0	0	107.4	T135 L144 W472	T135-V137 PolarHBondContact O-N 3.25Å; V137-L144 HydrophobicContact CG2-CB 4Å; V137-L144 HydrophobicContact CG2-CD1 3.88Å; V137-L144 HydrophobicContact CG2-CD2 3.87Å; V137-L144 HydrophobicContact CG2-CG 4.12Å; V137-W472 HydrophobicContact CG1-CZ2 3.52Å
138	Q	50.1	Low	76.7	Confident	42 Å²	42	29.4 Å²	29.4	20%	0.196	15%	0.154	C	C	.	.	S	Bend	trans	-96.6	-44.9	172	-81.6	-173.6	-8.5	0	0	110.6	K111 T135	K111-Q138 VanDerWaalsContact NZ-CB 3.27Å; T135-Q138 HydrophobicContact CG2-CG 4.48Å; T135-Q138 VanDerWaalsContact OG1-CG 3.29Å; T135-Q138 WeakPolarHBondContact OG1-CG 3.39Å; T135-Q138 PolarHBondContact OG1-NE2 2.82Å
139	N	52.1	Low	76.5	Confident	68 Å²	68	26.7 Å²	26.7	36%	0.364	14%	0.144	S	C	.	.	S	Bend	trans	-150.7	-12.9	-171.9	-62.6	-51	0	0	0	116.7	E143 W472 V474	N139-E143 PolarHBondContact N-OE2 3.27Å; N139-W472 WeakPolarHBondContact O-CH2 3.35Å; N139-V474 WeakPolarHBondContact O-CG1 3.47Å
140	N	64.7	Low	76.2	Confident	56 Å²	56	25 Å²	25	30%	0.299	14%	0.137	S	C	.	.			trans	-137.1	137.3	-177.5	-145.6	-37.9	0	0	0	115.1	L142 E143 L144 W472	N140-L142 HydrophobicContact CB-CB 4.46Å; N140-L142 PolarHBondContact O-N 3.05Å; N140-L142 WeakPolarHBondContact OD1-CB 3.48Å; N140-L142 WeakPolarHBondContact OD1-CG 3.31Å; N140-L142 PolarHBondContact OD1-N 2.78Å; N140-E143 HydrophobicContact CB-CB 3.9Å; N140-E143 HydrophobicContact CB-CG 3.51Å; N140-E143 PolarHBondContact N-OE2 3.19Å; N140-E143 WeakPolarHBondContact O-CA 3.46Å; N140-E143 VanDerWaalsContact O-CB 3.25Å; N140-E143 WeakPolarHBondContact O-CB 2.95Å; N140-E143 PolarHBondContact O-N 3.4Å; N140-L144 PolarHBondContact O-N 3.47Å; N140-W472 HydrophobicContact CB-CH2 4.26Å
141	L	74.2	Confident	75.9	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-69.5	-30	171.4	-95.7	168.8	0	0	0	107.8	E143 L144 Y145 F162 V167 I170 L193 V469 W472	L141-E143 VanDerWaalsContact C-N 3.31Å; L141-L144 HydrophobicContact CD2-CD2 4.26Å; L141-L144 WeakPolarHBondContact O-CB 3.17Å; L141-L144 PolarHBondContact O-N 3.27Å; L141-Y145 WeakPolarHBondContact O-CB 3.47Å; L141-Y145 PolarHBondContact O-N 2.78Å; L141-F162 HydrophobicContact CB-CE1 4.31Å; L141-F162 HydrophobicContact CD2-CZ 4.34Å; L141-F162 WeakPolarHBondContact O-CE1 3.07Å; L141-V167 HydrophobicContact CB-CG2 3.91Å; L141-V167 HydrophobicContact CD1-CB 4.45Å; L141-V167 HydrophobicContact CD1-CG1 4.43Å; L141-V167 HydrophobicContact CD1-CG2 4.28Å; L141-I170 HydrophobicContact CD1-CB 4.26Å; L141-I170 HydrophobicContact CD1-CD1 4.1Å; L141-I170 HydrophobicContact CD1-CG2 4.11Å; L141-L193 HydrophobicContact CD2-CD2 3.98Å; L141-V469 HydrophobicContact CD2-CG1 3.67Å; L141-V469 HydrophobicContact CD2-CG2 4.32Å; L141-W472 HydrophobicContact CB-CD2 4.34Å; L141-W472 HydrophobicContact CB-CE3 3.89Å; L141-W472 HydrophobicContact CB-CH2 4.04Å; L141-W472 HydrophobicContact CB-CZ2 4.19Å; L141-W472 HydrophobicContact CB-CZ3 3.65Å; L141-W472 HydrophobicContact CD1-CD2 3.73Å; L141-W472 HydrophobicContact CD1-CE3 3.35Å; L141-W472 HydrophobicContact CD1-CZ3 3.97Å; L141-W472 HydrophobicContact CD2-CD2 4.36Å; L141-W472 HydrophobicContact CG-CD2 3.44Å; L141-W472 VanDerWaalsContact CG-CD2 3.44Å; L141-W472 HydrophobicContact CG-CE3 3.32Å; L141-W472 HydrophobicContact CG-CG 4.45Å; L141-W472 HydrophobicContact CG-CH2 4.11Å; L141-W472 HydrophobicContact CG-CZ2 3.97Å; L141-W472 HydrophobicContact CG-CZ3 3.64Å
142	L	77.3	Confident	75.7	Confident	59 Å²	59	24.3 Å²	24.3	31%	0.309	14%	0.141	S	C	.	.	H	α-helix	trans	-67.7	-31.7	170.7	-59.9	172.8	0	0	0	111.9	N140 S146 V167	N140-L142 HydrophobicContact CB-CB 4.46Å; N140-L142 PolarHBondContact O-N 3.05Å; N140-L142 WeakPolarHBondContact OD1-CB 3.48Å; N140-L142 WeakPolarHBondContact OD1-CG 3.31Å; N140-L142 PolarHBondContact OD1-N 2.78Å; L142-S146 WeakPolarHBondContact O-CB 3.43Å; L142-S146 PolarHBondContact O-N 3.15Å; L142-S146 PolarHBondContact O-OG 3.41Å; L142-V167 HydrophobicContact CD2-CG2 4.21Å
143	E	76.4	Confident	75.5	Confident	30 Å²	30	27 Å²	27	14%	0.14	16%	0.159	C	C	.	.	H	α-helix	trans	-67.4	-45.3	171.8	-73.4	173.5	-176.9	0	0	109.5	K111 N139 N140 L141 Y145 S146 L147	K111-E143 HydrophobicContact CB-CB 4.37Å; K111-E143 HydrophobicContact CB-CG 3.66Å; K111-E143 HydrophobicContact CD-CG 4.08Å; K111-E143 WeakPolarHBondContact CD-OE1 3.5Å; K111-E143 WeakPolarHBondContact CD-OE2 3.29Å; K111-E143 WeakPolarHBondContact CE-OE2 3.49Å; K111-E143 HydrophobicContact CG-CB 3.98Å; K111-E143 VanDerWaalsContact CG-CD 3.4Å; K111-E143 HydrophobicContact CG-CG 3.54Å; K111-E143 IonicContact NZ-OE1 2.8Å; K111-E143 IonicContact NZ-OE2 2.79Å; K111-E143 PolarHBondContact NZ-OE2 2.85Å; N139-E143 PolarHBondContact N-OE2 3.27Å; N140-E143 HydrophobicContact CB-CB 3.9Å; N140-E143 HydrophobicContact CB-CG 3.51Å; N140-E143 PolarHBondContact N-OE2 3.19Å; N140-E143 WeakPolarHBondContact O-CA 3.46Å; N140-E143 VanDerWaalsContact O-CB 3.25Å; N140-E143 WeakPolarHBondContact O-CB 2.95Å; N140-E143 PolarHBondContact O-N 3.4Å; L141-E143 VanDerWaalsContact C-N 3.31Å; E143-Y145 PolarHBondContact O-N 3.49Å; E143-S146 PolarHBondContact O-N 3.43Å; E143-L147 WeakPolarHBondContact O-CG 3.28Å; E143-L147 PolarHBondContact O-N 3.39Å
144	L	79.6	Confident	75.6	Confident	3 Å²	3	29.1 Å²	29.1	2%	0.016	18%	0.181	C	C	.	.	H	α-helix	trans	-59.4	-46.8	175.5	178.8	61.9	0	0	0	111.4	V137 N140 L141 S146 L147 C148 L197 L201 V469	V137-L144 HydrophobicContact CG2-CB 4Å; V137-L144 HydrophobicContact CG2-CD1 3.88Å; V137-L144 HydrophobicContact CG2-CD2 3.87Å; V137-L144 HydrophobicContact CG2-CG 4.12Å; N140-L144 PolarHBondContact O-N 3.47Å; L141-L144 HydrophobicContact CD2-CD2 4.26Å; L141-L144 WeakPolarHBondContact O-CB 3.17Å; L141-L144 PolarHBondContact O-N 3.27Å; L144-S146 VanDerWaalsContact C-N 3.32Å; L144-S146 PolarHBondContact O-N 3.13Å; L144-L147 PolarHBondContact O-N 3.23Å; L144-C148 WeakPolarHBondContact O-CB 3.36Å; L144-C148 PolarHBondContact O-N 2.82Å; L144-C148 PolarHBondContact O-SG 3.49Å; L144-L197 HydrophobicContact CD2-CD1 3.81Å; L144-L201 HydrophobicContact CD1-CD1 4.32Å; L144-V469 HydrophobicContact CD2-CG2 3.73Å
145	Y	84.3	Confident	76.4	Confident	16 Å²	16	31.7 Å²	31.7	6%	0.063	19%	0.193	C	C	.	.	H	α-helix	trans	-54.7	-50	175	171	-91.3	0	0	0	110.8	L141 E143 L147 C148 D149 L156 G157 P159 F162	L141-Y145 WeakPolarHBondContact O-CB 3.47Å; L141-Y145 PolarHBondContact O-N 2.78Å; E143-Y145 PolarHBondContact O-N 3.49Å; Y145-L147 PolarHBondContact O-N 3.35Å; Y145-C148 PolarHBondContact O-N 2.91Å; Y145-C148 VanDerWaalsContact O-N 3.1Å; Y145-D149 HydrophobicContact CE1-CB 4.2Å; Y145-D149 VanDerWaalsContact O-CB 3.32Å; Y145-D149 WeakPolarHBondContact O-CB 3.48Å; Y145-D149 PolarHBondContact O-N 3.39Å; Y145-L156 HydrophobicContact CD2-CB 4.21Å; Y145-L156 HydrophobicContact CD2-CD1 4.37Å; Y145-L156 HydrophobicContact CE2-CB 4.2Å; Y145-G157 PolarHBondContact OH-O 3.41Å; Y145-G157 VanDerWaalsContact OH-O 3.09Å; Y145-P159 HydrophobicContact CE1-CB 3.95Å; Y145-P159 HydrophobicContact CE1-CG 3.8Å; Y145-P159 VanDerWaalsContact OH-CD 3.27Å; Y145-P159 WeakPolarHBondContact OH-CD 3.45Å; Y145-P159 WeakPolarHBondContact OH-CG 3.48Å; Y145-F162 HydrophobicContact CD2-CB 3.62Å; Y145-F162 AromaticContact CD2-CD1 3.71Å; Y145-F162 HydrophobicContact CD2-CD1 3.71Å; Y145-F162 AromaticContact CD2-CD2 3.77Å; Y145-F162 HydrophobicContact CD2-CD2 3.77Å; Y145-F162 HydrophobicContact CD2-CE1 4.33Å; Y145-F162 HydrophobicContact CD2-CE2 4.38Å; Y145-F162 AromaticContact CD2-CG 3.39Å; Y145-F162 HydrophobicContact CD2-CG 3.39Å; Y145-F162 HydrophobicContact CE2-CB 3.78Å; Y145-F162 HydrophobicContact CE2-CG 4.08Å; Y145-F162 HydrophobicContact CG-CB 4.48Å; Y145-F162 AromaticContact CG-CD1 3.9Å; Y145-F162 HydrophobicContact CG-CD1 3.9Å; Y145-F162 HydrophobicContact CG-CE1 4.33Å; Y145-F162 HydrophobicContact CG-CG 4.09Å
146	S	83.8	Confident	77.4	Confident	12 Å²	12	31.6 Å²	31.6	8%	0.084	19%	0.192	C	C	.	.	H	α-helix	trans	-58.6	-37.7	-178.9	-57.6	0	0	0	0	112	L142 E143 L144 L150	L142-S146 WeakPolarHBondContact O-CB 3.43Å; L142-S146 PolarHBondContact O-N 3.15Å; L142-S146 PolarHBondContact O-OG 3.41Å; E143-S146 PolarHBondContact O-N 3.43Å; L144-S146 VanDerWaalsContact C-N 3.32Å; L144-S146 PolarHBondContact O-N 3.13Å; S146-L150 VanDerWaalsContact O-CB 3.27Å; S146-L150 WeakPolarHBondContact O-CB 3.05Å; S146-L150 PolarHBondContact O-N 3.18Å; S146-L150 VanDerWaalsContact O-N 3.15Å
147	L	85.1	Confident	78.9	Confident	14 Å²	14	32 Å²	32	7%	0.073	20%	0.199	C	C	.	.	H	α-helix	trans	-73	-42.3	175.7	-63.7	177	0	0	0	112.5	A107 L110 L131 E143 L144 Y145 L150 A151	A107-L147 HydrophobicContact CB-CD2 4.17Å; A107-L147 WeakPolarHBondContact O-CD2 3.5Å; L110-L147 HydrophobicContact CB-CD2 4.06Å; L131-L147 HydrophobicContact CD1-CB 4.19Å; L131-L147 HydrophobicContact CD1-CD2 4.36Å; L131-L147 WeakPolarHBondContact CD1-O 3.41Å; E143-L147 WeakPolarHBondContact O-CG 3.28Å; E143-L147 PolarHBondContact O-N 3.39Å; L144-L147 PolarHBondContact O-N 3.23Å; Y145-L147 PolarHBondContact O-N 3.35Å; L147-L150 PolarHBondContact O-N 2.88Å; L147-A151 WeakPolarHBondContact O-CB 3.26Å; L147-A151 PolarHBondContact O-N 2.82Å
148	C	86.6	Confident	80.4	Confident	6 Å²	6	33.3 Å²	33.3	4%	0.041	21%	0.209	C	C	.	.	H	α-helix	trans	-66	-44.8	-179.5	-65.9	0	0	0	0	111.3	L144 Y145 L150 A151 S152 L156 L197 F200	L144-C148 WeakPolarHBondContact O-CB 3.36Å; L144-C148 PolarHBondContact O-N 2.82Å; L144-C148 PolarHBondContact O-SG 3.49Å; Y145-C148 PolarHBondContact O-N 2.91Å; Y145-C148 VanDerWaalsContact O-N 3.1Å; C148-L150 VanDerWaalsContact C-N 3.32Å; C148-L150 PolarHBondContact O-N 3.02Å; C148-A151 PolarHBondContact O-N 3.39Å; C148-S152 PolarHBondContact O-N 2.93Å; C148-L156 HydrophobicContact CB-CD1 3.58Å; C148-L197 HydrophobicContact CB-CD2 4.44Å; C148-L197 WeakPolarHBondContact SG-CD2 3.42Å; C148-F200 HydrophobicContact CB-CE2 3.87Å; C148-F200 HydrophobicContact CB-CZ 4.12Å
149	D	88.2	Confident	82.2	Confident	25 Å²	25	34.5 Å²	34.5	13%	0.134	22%	0.22	C	C	.	.	H	α-helix	trans	-66.4	-34.7	177.2	-175.7	63.1	0	0	0	111.7	Y122 Y145 A151 S152 P153 A154	Y122-D149 VanDerWaalsContact CE1-OD2 3.27Å; Y122-D149 WeakPolarHBondContact CE1-OD2 2.89Å; Y122-D149 VanDerWaalsContact CZ-OD2 3.27Å; Y122-D149 PolarHBondContact OH-OD2 3.1Å; Y145-D149 HydrophobicContact CE1-CB 4.2Å; Y145-D149 VanDerWaalsContact O-CB 3.32Å; Y145-D149 WeakPolarHBondContact O-CB 3.48Å; Y145-D149 PolarHBondContact O-N 3.39Å; D149-A151 VanDerWaalsContact C-N 3.34Å; D149-A151 PolarHBondContact O-N 2.91Å; D149-S152 CarbonylContact O-C 3.49Å; D149-P153 WeakPolarHBondContact O-CA 3.38Å; D149-P153 WeakPolarHBondContact O-CD 3.42Å; D149-P153 WeakPolarHBondContact O-CG 3.29Å; D149-P153 VanDerWaalsContact O-N 3.14Å; D149-P153 WeakPolarHBondContact OD1-CA 2.9Å; D149-A154 PolarHBondContact OD1-N 2.86Å; D149-A154 VanDerWaalsContact OD1-N 3.12Å
150	L	87.5	Confident	84	Confident	3 Å²	3	38 Å²	38	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-64.7	-38.3	172.2	-177.7	67.8	0	0	0	112.4	L110 L121 Y122 R129 L131 S146 L147 C148	L110-L150 HydrophobicContact CD1-CD2 3.7Å; L121-L150 HydrophobicContact CB-CD1 3.79Å; L121-L150 HydrophobicContact CD1-CD2 4.24Å; Y122-L150 HydrophobicContact CD1-CD1 4.34Å; Y122-L150 HydrophobicContact CD2-CD1 4.14Å; Y122-L150 HydrophobicContact CE1-CD1 4.25Å; Y122-L150 HydrophobicContact CE2-CD1 4Å; Y122-L150 HydrophobicContact CG-CD1 4.29Å; Y122-L150 PolarHBondContact OH-N 3.32Å; R129-L150 WeakPolarHBondContact CD-O 3.32Å; R129-L150 PolarHBondContact NH1-O 3.11Å; L131-L150 HydrophobicContact CD1-CB 4.34Å; L131-L150 HydrophobicContact CD1-CD2 4.22Å; L131-L150 HydrophobicContact CD1-CG 4.47Å; L131-L150 HydrophobicContact CD2-CD2 4.09Å; S146-L150 VanDerWaalsContact O-CB 3.27Å; S146-L150 WeakPolarHBondContact O-CB 3.05Å; S146-L150 PolarHBondContact O-N 3.18Å; S146-L150 VanDerWaalsContact O-N 3.15Å; L147-L150 PolarHBondContact O-N 2.88Å; C148-L150 VanDerWaalsContact C-N 3.32Å; C148-L150 PolarHBondContact O-N 3.02Å
151	A	88.9	Confident	85.4	Confident	24 Å²	24	40.1 Å²	40.1	20%	0.198	24%	0.242	C	C	.	.	H	α-helix	trans	-77.1	-40.9	-179.6	0	0	0	0	0	112.9	L131 L147 C148 D149	L131-A151 HydrophobicContact CD1-CB 3.82Å; L131-A151 HydrophobicContact CG-CB 4.02Å; L147-A151 WeakPolarHBondContact O-CB 3.26Å; L147-A151 PolarHBondContact O-N 2.82Å; C148-A151 PolarHBondContact O-N 3.39Å; D149-A151 VanDerWaalsContact C-N 3.34Å; D149-A151 PolarHBondContact O-N 2.91Å
152	S	87.8	Confident	86.1	Confident	41 Å²	41	40.1 Å²	40.1	29%	0.287	24%	0.242	S	C	.	.	S	Bend	trans	-144.3	87.8	-178	-64.8	0	0	0	0	108.7	C148 D149 V155	C148-S152 PolarHBondContact O-N 2.93Å; D149-S152 CarbonylContact O-C 3.49Å; S152-V155 WeakPolarHBondContact O-CG2 3.5Å
153	P	85.4	Confident	86.6	Confident	75 Å²	75	42.9 Å²	42.9	49%	0.487	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	145.3	-176.3	-24.4	32.8	0	0	0	112.4	D149 V155	D149-P153 WeakPolarHBondContact O-CA 3.38Å; D149-P153 WeakPolarHBondContact O-CD 3.42Å; D149-P153 WeakPolarHBondContact O-CG 3.29Å; D149-P153 VanDerWaalsContact O-N 3.14Å; D149-P153 WeakPolarHBondContact OD1-CA 2.9Å; P153-V155 PolarHBondContact O-N 3.18Å; P153-V155 VanDerWaalsContact O-N 3.09Å
154	A	84	Confident	87.3	Confident	80 Å²	80	44.9 Å²	44.9	66%	0.661	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	-0.2	174.4	0	0	0	0	0	117.2	D149 L156 G157	D149-A154 PolarHBondContact OD1-N 2.86Å; D149-A154 VanDerWaalsContact OD1-N 3.12Å; A154-L156 VanDerWaalsContact C-N 3.29Å; A154-L156 PolarHBondContact O-N 3.13Å; A154-G157 PolarHBondContact O-N 3.41Å
155	V	88.1	Confident	87.9	Confident	71 Å²	71	48 Å²	48	43%	0.43	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-31.3	178.9	174.1	0	0	0	0	112.8	S152 P153 F200	S152-V155 WeakPolarHBondContact O-CG2 3.5Å; P153-V155 PolarHBondContact O-N 3.18Å; P153-V155 VanDerWaalsContact O-N 3.09Å; V155-F200 HydrophobicContact CG1-CD1 4.49Å; V155-F200 HydrophobicContact CG1-CE1 3.82Å; V155-F200 HydrophobicContact CG1-CZ 4.45Å
156	L	86.4	Confident	88	Confident	14 Å²	14	47.6 Å²	47.6	7%	0.073	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	6	-176.8	-66.5	176.6	0	0	0	113.9	Y145 C148 A154 F162 L193 Q196 L197	Y145-L156 HydrophobicContact CD2-CB 4.21Å; Y145-L156 HydrophobicContact CD2-CD1 4.37Å; Y145-L156 HydrophobicContact CE2-CB 4.2Å; C148-L156 HydrophobicContact CB-CD1 3.58Å; A154-L156 VanDerWaalsContact C-N 3.29Å; A154-L156 PolarHBondContact O-N 3.13Å; L156-F162 HydrophobicContact CB-CD2 4.07Å; L156-F162 HydrophobicContact CD1-CD2 4.31Å; L156-F162 HydrophobicContact CD1-CE2 4.05Å; L156-L193 HydrophobicContact CD2-CD1 4Å; L156-Q196 HydrophobicContact CD2-CB 4.42Å; L156-L197 HydrophobicContact CD1-CD2 4.32Å
157	G	89.2	Confident	88	Confident	25 Å²	25	47.3 Å²	47.3	26%	0.258	28%	0.281	S	S	.	.			trans	80	-167.3	-174.1	0	0	0	0	0	113.2	Y145 A154 E161	Y145-G157 PolarHBondContact OH-O 3.41Å; Y145-G157 VanDerWaalsContact OH-O 3.09Å; A154-G157 PolarHBondContact O-N 3.41Å; G157-E161 WeakPolarHBondContact CA-OE2 3.43Å
158	S	90	Very high	88	Confident	36 Å²	36	52.8 Å²	52.8	25%	0.252	30%	0.304	S	S	.	.			trans	-69.9	162.7	176.9	97.4	0	0	0	0	111.9	E160 E161 F162	S158-E160 VanDerWaalsContact C-N 3.25Å; S158-E160 PolarHBondContact O-N 3.35Å; S158-E160 PolarHBondContact OG-N 3.07Å; S158-E160 PolarHBondContact OG-OE2 3.16Å; S158-E161 PolarHBondContact N-OE2 2.97Å; S158-E161 PolarHBondContact O-N 3.05Å; S158-E161 PolarHBondContact OG-N 2.92Å; S158-E161 VanDerWaalsContact OG-N 3.13Å; S158-F162 WeakPolarHBondContact O-CB 3.39Å; S158-F162 PolarHBondContact O-N 3.15Å
159	P	87.1	Confident	88	Confident	66 Å²	66	53 Å²	53	43%	0.429	31%	0.306	S	S	.	.	H	α-helix	trans	-58.6	-36.2	173.9	-19.1	29.6	0	0	0	112.7	Y145 K163	Y145-P159 HydrophobicContact CE1-CB 3.95Å; Y145-P159 HydrophobicContact CE1-CG 3.8Å; Y145-P159 VanDerWaalsContact OH-CD 3.27Å; Y145-P159 WeakPolarHBondContact OH-CD 3.45Å; Y145-P159 WeakPolarHBondContact OH-CG 3.48Å; P159-K163 VanDerWaalsContact O-CB 3.31Å; P159-K163 WeakPolarHBondContact O-CB 2.96Å; P159-K163 PolarHBondContact O-N 3.44Å
160	E	90.3	Very high	87.7	Confident	142 Å²	142	52 Å²	52	66%	0.664	30%	0.3	S	S	*	.	H	α-helix	trans	-72.7	-40.6	177.4	-57.8	100.1	177	0	0	112.3	S158 K163 S164	S158-E160 VanDerWaalsContact C-N 3.25Å; S158-E160 PolarHBondContact O-N 3.35Å; S158-E160 PolarHBondContact OG-N 3.07Å; S158-E160 PolarHBondContact OG-OE2 3.16Å; E160-K163 PolarHBondContact O-N 2.88Å; E160-S164 PolarHBondContact O-N 2.97Å; E160-S164 PolarHBondContact O-OG 3.05Å
161	E	92.5	Very high	87.2	Confident	101 Å²	101	54.5 Å²	54.5	47%	0.472	31%	0.313	S	S	.	.	H	α-helix	trans	-62.3	-47	174.9	-70.9	177.1	159.9	0	0	110.8	G157 S158 K163 S164 I165	G157-E161 WeakPolarHBondContact CA-OE2 3.43Å; S158-E161 PolarHBondContact N-OE2 2.97Å; S158-E161 PolarHBondContact O-N 3.05Å; S158-E161 PolarHBondContact OG-N 2.92Å; S158-E161 VanDerWaalsContact OG-N 3.13Å; E161-K163 PolarHBondContact O-N 2.93Å; E161-S164 PolarHBondContact O-N 3.44Å; E161-S164 PolarHBondContact O-OG 3.28Å; E161-I165 HydrophobicContact CB-CD1 4.32Å; E161-I165 VanDerWaalsContact O-CB 3.29Å; E161-I165 WeakPolarHBondContact O-CB 3.06Å; E161-I165 VanDerWaalsContact O-CG1 3.23Å; E161-I165 WeakPolarHBondContact O-CG1 3.22Å; E161-I165 PolarHBondContact O-N 3.45Å
162	F	90.1	Very high	86.6	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-58.6	-41.2	175.8	-178.5	-97.9	0	0	0	111.3	L141 Y145 L156 S158 Y166 V167 L193	L141-F162 HydrophobicContact CB-CE1 4.31Å; L141-F162 HydrophobicContact CD2-CZ 4.34Å; L141-F162 WeakPolarHBondContact O-CE1 3.07Å; Y145-F162 HydrophobicContact CD2-CB 3.62Å; Y145-F162 AromaticContact CD2-CD1 3.71Å; Y145-F162 HydrophobicContact CD2-CD1 3.71Å; Y145-F162 AromaticContact CD2-CD2 3.77Å; Y145-F162 HydrophobicContact CD2-CD2 3.77Å; Y145-F162 HydrophobicContact CD2-CE1 4.33Å; Y145-F162 HydrophobicContact CD2-CE2 4.38Å; Y145-F162 AromaticContact CD2-CG 3.39Å; Y145-F162 HydrophobicContact CD2-CG 3.39Å; Y145-F162 HydrophobicContact CE2-CB 3.78Å; Y145-F162 HydrophobicContact CE2-CG 4.08Å; Y145-F162 HydrophobicContact CG-CB 4.48Å; Y145-F162 AromaticContact CG-CD1 3.9Å; Y145-F162 HydrophobicContact CG-CD1 3.9Å; Y145-F162 HydrophobicContact CG-CE1 4.33Å; Y145-F162 HydrophobicContact CG-CG 4.09Å; L156-F162 HydrophobicContact CB-CD2 4.07Å; L156-F162 HydrophobicContact CD1-CD2 4.31Å; L156-F162 HydrophobicContact CD1-CE2 4.05Å; S158-F162 WeakPolarHBondContact O-CB 3.39Å; S158-F162 PolarHBondContact O-N 3.15Å; F162-Y166 AromaticContact CD2-CD2 3.5Å; F162-Y166 HydrophobicContact CD2-CD2 3.5Å; F162-Y166 VanDerWaalsContact CD2-CD2 3.5Å; F162-Y166 HydrophobicContact CD2-CE2 4.21Å; F162-Y166 HydrophobicContact CD2-CG 4.35Å; F162-Y166 AromaticContact CE2-CD2 3.67Å; F162-Y166 HydrophobicContact CE2-CD2 3.67Å; F162-Y166 HydrophobicContact CE2-CE2 4.43Å; F162-Y166 HydrophobicContact CE2-CG 4.18Å; F162-Y166 HydrophobicContact CG-CD2 4.36Å; F162-Y166 WeakPolarHBondContact O-CB 3.47Å; F162-Y166 PolarHBondContact O-N 3.19Å; F162-V167 HydrophobicContact CD1-CG2 3.62Å; F162-V167 HydrophobicContact CE1-CG2 3.43Å; F162-V167 VanDerWaalsContact CE1-CG2 3.43Å; F162-V167 HydrophobicContact CZ-CG2 4.43Å; F162-V167 PolarHBondContact O-N 3.4Å; F162-L193 HydrophobicContact CE2-CD1 3.8Å; F162-L193 HydrophobicContact CE2-CD2 4.18Å; F162-L193 HydrophobicContact CZ-CD1 4.45Å; F162-L193 HydrophobicContact CZ-CD2 4.12Å
163	K	88.4	Confident	86.1	Confident	116 Å²	116	55.2 Å²	55.2	50%	0.504	31%	0.311	S	S	.	.	I	π-helix	trans	-65.3	-41.8	178.9	-165.6	178.4	-178.9	-176.6	0	112.3	P159 E160 E161 V167 K168	P159-K163 VanDerWaalsContact O-CB 3.31Å; P159-K163 WeakPolarHBondContact O-CB 2.96Å; P159-K163 PolarHBondContact O-N 3.44Å; E160-K163 PolarHBondContact O-N 2.88Å; E161-K163 PolarHBondContact O-N 2.93Å; K163-V167 HydrophobicContact CB-CB 4.47Å; K163-V167 HydrophobicContact CB-CG2 4.49Å; K163-V167 HydrophobicContact CG-CB 4.07Å; K163-V167 HydrophobicContact CG-CG1 4.4Å; K163-V167 HydrophobicContact CG-CG2 4.46Å; K163-V167 WeakPolarHBondContact O-CB 3.43Å; K163-V167 PolarHBondContact O-N 3.44Å; K163-K168 WeakPolarHBondContact O-CB 3.31Å; K163-K168 PolarHBondContact O-N 3.44Å
164	S	90.9	Very high	85.2	Confident	72 Å²	72	55.1 Å²	55.1	50%	0.503	31%	0.309	S	S	.	.	I	π-helix	trans	-76	-38.7	-179.3	68	0	0	0	0	112.9	E160 E161 P169	E160-S164 PolarHBondContact O-N 2.97Å; E160-S164 PolarHBondContact O-OG 3.05Å; E161-S164 PolarHBondContact O-N 3.44Å; E161-S164 PolarHBondContact O-OG 3.28Å; S164-P169 VanDerWaalsContact O-CD 3.24Å; S164-P169 WeakPolarHBondContact O-CD 3.45Å
165	I	90.8	Very high	84.3	Confident	68 Å²	68	53.1 Å²	53.1	35%	0.349	29%	0.293	S	S	.	.	I	π-helix	trans	-80.2	-39.8	-174.9	-65	170.5	0	0	0	111.8	E161 P169 K189	E161-I165 HydrophobicContact CB-CD1 4.32Å; E161-I165 VanDerWaalsContact O-CB 3.29Å; E161-I165 WeakPolarHBondContact O-CB 3.06Å; E161-I165 VanDerWaalsContact O-CG1 3.23Å; E161-I165 WeakPolarHBondContact O-CG1 3.22Å; E161-I165 PolarHBondContact O-N 3.45Å; I165-P169 WeakPolarHBondContact O-CG 3.41Å; I165-K189 VanDerWaalsContact O-CD 3.3Å; I165-K189 WeakPolarHBondContact O-CD 3.28Å
166	Y	87	Confident	83.3	Confident	9 Å²	9	57.3 Å²	57.3	4%	0.035	32%	0.318	C	S	.	.	I	π-helix	trans	-115.4	-57	-172.5	-62.1	-66.9	0	0	0	112.5	F162 K168 P169 I170 K189 R192 L193 Q196	F162-Y166 AromaticContact CD2-CD2 3.5Å; F162-Y166 HydrophobicContact CD2-CD2 3.5Å; F162-Y166 VanDerWaalsContact CD2-CD2 3.5Å; F162-Y166 HydrophobicContact CD2-CE2 4.21Å; F162-Y166 HydrophobicContact CD2-CG 4.35Å; F162-Y166 AromaticContact CE2-CD2 3.67Å; F162-Y166 HydrophobicContact CE2-CD2 3.67Å; F162-Y166 HydrophobicContact CE2-CE2 4.43Å; F162-Y166 HydrophobicContact CE2-CG 4.18Å; F162-Y166 HydrophobicContact CG-CD2 4.36Å; F162-Y166 WeakPolarHBondContact O-CB 3.47Å; F162-Y166 PolarHBondContact O-N 3.19Å; Y166-K168 PolarHBondContact O-N 3.2Å; Y166-P169 WeakPolarHBondContact O-CD 3.38Å; Y166-I170 VanDerWaalsContact O-CB 3.29Å; Y166-I170 WeakPolarHBondContact O-CB 3.47Å; Y166-I170 WeakPolarHBondContact O-CD1 3.41Å; Y166-I170 WeakPolarHBondContact O-CG1 3.21Å; Y166-I170 PolarHBondContact O-N 2.93Å; Y166-K189 HydrophobicContact CD1-CB 4.32Å; Y166-K189 WeakPolarHBondContact CD1-O 3.31Å; Y166-R192 HydrophobicContact CE1-CB 4.45Å; Y166-R192 HydrophobicContact CE1-CG 4.4Å; Y166-L193 HydrophobicContact CD1-CB 3.73Å; Y166-L193 HydrophobicContact CD1-CD1 4.45Å; Y166-L193 HydrophobicContact CD1-CD2 4.28Å; Y166-L193 HydrophobicContact CD1-CG 4.37Å; Y166-L193 HydrophobicContact CD2-CD1 4.36Å; Y166-L193 HydrophobicContact CE1-CB 3.77Å; Y166-L193 HydrophobicContact CE1-CD1 4.48Å; Y166-L193 HydrophobicContact CE2-CD1 4.35Å; Y166-L193 HydrophobicContact CG-CB 4.39Å; Y166-L193 HydrophobicContact CG-CD1 4.38Å; Y166-L193 HydrophobicContact CG-CD2 4.2Å; Y166-Q196 PolarHBondContact OH-OE1 2.92Å
167	V	83.4	Confident	82.8	Confident	6 Å²	6	63.6 Å²	63.6	4%	0.036	35%	0.352	C	S	.	.	I	π-helix	trans	-61.3	-52.7	-169.5	-177.8	0	0	0	0	111.9	L141 L142 F162 K163 I170 L171	L141-V167 HydrophobicContact CB-CG2 3.91Å; L141-V167 HydrophobicContact CD1-CB 4.45Å; L141-V167 HydrophobicContact CD1-CG1 4.43Å; L141-V167 HydrophobicContact CD1-CG2 4.28Å; L142-V167 HydrophobicContact CD2-CG2 4.21Å; F162-V167 HydrophobicContact CD1-CG2 3.62Å; F162-V167 HydrophobicContact CE1-CG2 3.43Å; F162-V167 VanDerWaalsContact CE1-CG2 3.43Å; F162-V167 HydrophobicContact CZ-CG2 4.43Å; F162-V167 PolarHBondContact O-N 3.4Å; K163-V167 HydrophobicContact CB-CB 4.47Å; K163-V167 HydrophobicContact CB-CG2 4.49Å; K163-V167 HydrophobicContact CG-CB 4.07Å; K163-V167 HydrophobicContact CG-CG1 4.4Å; K163-V167 HydrophobicContact CG-CG2 4.46Å; K163-V167 WeakPolarHBondContact O-CB 3.43Å; K163-V167 PolarHBondContact O-N 3.44Å; V167-I170 PolarHBondContact O-N 3Å; V167-L171 HydrophobicContact CG1-CD1 3.67Å; V167-L171 HydrophobicContact CG1-CG 4.25Å; V167-L171 WeakPolarHBondContact O-CB 3.39Å; V167-L171 VanDerWaalsContact O-CG 3.26Å; V167-L171 WeakPolarHBondContact O-CG 3.42Å; V167-L171 PolarHBondContact O-N 3.48Å
168	K	85.2	Confident	82.1	Confident	129 Å²	129	63 Å²	63	56%	0.561	35%	0.345	S	S	*	.	H	α-helix	trans	-62.8	-53.1	-176.5	178.5	177.2	-177.1	-174.6	0	111.9	K163 Y166 I170 L171 D172	K163-K168 WeakPolarHBondContact O-CB 3.31Å; K163-K168 PolarHBondContact O-N 3.44Å; Y166-K168 PolarHBondContact O-N 3.2Å; K168-I170 VanDerWaalsContact C-N 3.28Å; K168-I170 PolarHBondContact O-N 3.13Å; K168-L171 PolarHBondContact O-N 2.74Å; K168-L171 VanDerWaalsContact O-N 3.11Å; K168-D172 VanDerWaalsContact CG-OD2 3.23Å; K168-D172 WeakPolarHBondContact CG-OD2 3.21Å; K168-D172 WeakPolarHBondContact O-CB 3.3Å; K168-D172 PolarHBondContact O-N 2.63Å
169	P	86.2	Confident	81.9	Confident	11 Å²	11	65 Å²	65	7%	0.071	35%	0.353	C	S	.	.	H	α-helix	trans	-57.8	-36.7	176.6	-29.1	38	0	0	0	114.5	S164 I165 Y166 S173 Y185 K189	S164-P169 VanDerWaalsContact O-CD 3.24Å; S164-P169 WeakPolarHBondContact O-CD 3.45Å; I165-P169 WeakPolarHBondContact O-CG 3.41Å; Y166-P169 WeakPolarHBondContact O-CD 3.38Å; P169-S173 WeakPolarHBondContact O-CB 3.39Å; P169-S173 PolarHBondContact O-N 3.46Å; P169-S173 VanDerWaalsContact O-N 3.17Å; P169-Y185 HydrophobicContact CB-CD1 3.76Å; P169-Y185 HydrophobicContact CB-CE1 3.7Å; P169-Y185 HydrophobicContact CG-CD1 4.28Å; P169-Y185 HydrophobicContact CG-CE1 3.7Å; P169-K189 HydrophobicContact CB-CB 4.4Å; P169-K189 HydrophobicContact CB-CG 3.94Å; P169-K189 HydrophobicContact CG-CG 4.37Å
170	I	81.7	Confident	81.8	Confident	3 Å²	3	67.9 Å²	67.9	2%	0.015	36%	0.36	C	S	.	.	H	α-helix	trans	-70.2	-41.9	178.2	-67.1	168.7	0	0	0	110.3	L141 Y166 V167 K168 S173 V174 K189 R190 L193 W472	L141-I170 HydrophobicContact CD1-CB 4.26Å; L141-I170 HydrophobicContact CD1-CD1 4.1Å; L141-I170 HydrophobicContact CD1-CG2 4.11Å; Y166-I170 VanDerWaalsContact O-CB 3.29Å; Y166-I170 WeakPolarHBondContact O-CB 3.47Å; Y166-I170 WeakPolarHBondContact O-CD1 3.41Å; Y166-I170 WeakPolarHBondContact O-CG1 3.21Å; Y166-I170 PolarHBondContact O-N 2.93Å; V167-I170 PolarHBondContact O-N 3Å; K168-I170 VanDerWaalsContact C-N 3.28Å; K168-I170 PolarHBondContact O-N 3.13Å; I170-S173 PolarHBondContact O-N 3.36Å; I170-S173 PolarHBondContact O-OG 3.32Å; I170-V174 WeakPolarHBondContact O-CG2 3.07Å; I170-K189 HydrophobicContact CG1-CB 4.41Å; I170-R190 HydrophobicContact CD1-CB 4.21Å; I170-R190 HydrophobicContact CG1-CB 4.32Å; I170-L193 HydrophobicContact CD1-CD2 4.23Å; I170-W472 HydrophobicContact CG2-CB 4.37Å
171	L	77.1	Confident	81.8	Confident	56 Å²	56	64.6 Å²	64.6	29%	0.293	35%	0.353	S	S	.	.	H	α-helix	trans	-67.1	-44	177.7	-71.6	175.2	0	0	0	112.1	V167 K168 S173 V174 A175 W472 V474	V167-L171 HydrophobicContact CG1-CD1 3.67Å; V167-L171 HydrophobicContact CG1-CG 4.25Å; V167-L171 WeakPolarHBondContact O-CB 3.39Å; V167-L171 VanDerWaalsContact O-CG 3.26Å; V167-L171 WeakPolarHBondContact O-CG 3.42Å; V167-L171 PolarHBondContact O-N 3.48Å; K168-L171 PolarHBondContact O-N 2.74Å; K168-L171 VanDerWaalsContact O-N 3.11Å; L171-S173 PolarHBondContact O-N 3.27Å; L171-V174 PolarHBondContact O-N 3.41Å; L171-V174 VanDerWaalsContact O-N 3.09Å; L171-A175 PolarHBondContact O-N 2.82Å; L171-W472 HydrophobicContact CD2-CE3 4.22Å; L171-V474 HydrophobicContact CD2-CB 4.32Å
172	D	77.2	Confident	81.3	Confident	65 Å²	65	62.8 Å²	62.8	35%	0.348	35%	0.347	S	S	.	.	H	α-helix	trans	-60.8	-37.5	179.7	-63.2	-14.9	0	0	0	110.1	K168 V174 A175 A178	K168-D172 VanDerWaalsContact CG-OD2 3.23Å; K168-D172 WeakPolarHBondContact CG-OD2 3.21Å; K168-D172 WeakPolarHBondContact O-CB 3.3Å; K168-D172 PolarHBondContact O-N 2.63Å; D172-V174 PolarHBondContact O-N 2.73Å; D172-V174 VanDerWaalsContact O-N 3.11Å; D172-A175 WeakPolarHBondContact O-CB 3.41Å; D172-A175 PolarHBondContact O-N 3.14Å; D172-A178 VanDerWaalsContact O-CB 3.27Å; D172-A178 WeakPolarHBondContact O-CB 3.49Å
173	S	76.4	Confident	80.8	Confident	14 Å²	14	66 Å²	66	10%	0.098	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-14.8	177.2	78.1	0	0	0	0	116.1	P169 I170 L171 D182	P169-S173 WeakPolarHBondContact O-CB 3.39Å; P169-S173 PolarHBondContact O-N 3.46Å; P169-S173 VanDerWaalsContact O-N 3.17Å; I170-S173 PolarHBondContact O-N 3.36Å; I170-S173 PolarHBondContact O-OG 3.32Å; L171-S173 PolarHBondContact O-N 3.27Å; S173-D182 WeakPolarHBondContact CB-O 3.34Å
174	V	66.3	Low	80.7	Confident	73 Å²	73	64.6 Å²	64.6	44%	0.442	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-2.6	-178	-172.4	0	0	0	0	111.3	I170 L171 D172	I170-V174 WeakPolarHBondContact O-CG2 3.07Å; L171-V174 PolarHBondContact O-N 3.41Å; L171-V174 VanDerWaalsContact O-N 3.09Å; D172-V174 PolarHBondContact O-N 2.73Å; D172-V174 VanDerWaalsContact O-N 3.11Å
175	A	66.6	Low	80.6	Confident	39 Å²	39	66.4 Å²	66.4	32%	0.322	36%	0.361	S	S	.	.	S	Bend	trans	-61.3	149.2	175.1	0	0	0	0	0	110.9	L171 D172 D177 A178	L171-A175 PolarHBondContact O-N 2.82Å; D172-A175 WeakPolarHBondContact O-CB 3.41Å; D172-A175 PolarHBondContact O-N 3.14Å; A175-D177 WeakPolarHBondContact CB-OD1 3.02Å; A175-D177 PolarHBondContact O-N 3.2Å; A175-A178 HydrophobicContact CB-CB 4.29Å; A175-A178 WeakPolarHBondContact O-CB 3.43Å; A175-A178 PolarHBondContact O-N 2.89Å; A175-A178 VanDerWaalsContact O-N 3.14Å
176	V	66.5	Low	80.2	Confident	158 Å²	158	63.1 Å²	63.1	96%	0.958	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-30.4	-177.3	179.5	0	0	0	0	111
177	D	76.6	Confident	80	Confident	147 Å²	147	70.3 Å²	70.3	79%	0.786	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	9.5	-179.7	50.1	-34	0	0	0	113.5	A175 D179	A175-D177 WeakPolarHBondContact CB-OD1 3.02Å; A175-D177 PolarHBondContact O-N 3.2Å; D177-D179 PolarHBondContact O-N 3.06Å
178	A	73.7	Confident	80.2	Confident	12 Å²	12	75.1 Å²	75.1	10%	0.099	40%	0.396	C	S	.	.			trans	-64.4	128.3	179.6	0	0	0	0	0	111.9	D172 A175 D182 K183	D172-A178 VanDerWaalsContact O-CB 3.27Å; D172-A178 WeakPolarHBondContact O-CB 3.49Å; A175-A178 HydrophobicContact CB-CB 4.29Å; A175-A178 WeakPolarHBondContact O-CB 3.43Å; A175-A178 PolarHBondContact O-N 2.89Å; A175-A178 VanDerWaalsContact O-N 3.14Å; A178-D182 HydrophobicContact CB-CB 4.44Å; A178-K183 HydrophobicContact CB-CG 4.3Å; A178-K183 VanDerWaalsContact O-CE 3.31Å; A178-K183 WeakPolarHBondContact O-CE 3.48Å
179	D	86.2	Confident	80.3	Confident	78 Å²	78	70.4 Å²	70.4	42%	0.417	38%	0.376	S	S	.	.			trans	-74.7	167.8	172.7	69.8	21.2	0	0	0	111.7	D177 S181 D182 K183	D177-D179 PolarHBondContact O-N 3.06Å; D179-S181 PolarHBondContact O-N 2.95Å; D179-S181 WeakPolarHBondContact OD1-CB 3.34Å; D179-S181 PolarHBondContact OD1-N 2.93Å; D179-S181 PolarHBondContact OD1-OG 3.09Å; D179-S181 PolarHBondContact OD2-OG 2.83Å; D179-D182 PolarHBondContact O-N 3.32Å; D179-D182 VanDerWaalsContact OD1-CB 3.29Å; D179-D182 WeakPolarHBondContact OD1-CB 3.22Å; D179-D182 PolarHBondContact OD1-N 2.7Å; D179-K183 WeakPolarHBondContact O-CG 3.02Å; D179-K183 PolarHBondContact O-N 3.19Å; D179-K183 VanDerWaalsContact O-N 3.09Å
180	E	85.5	Confident	80.1	Confident	127 Å²	127	71.8 Å²	71.8	59%	0.593	38%	0.379	S	S	*	.	H	α-helix	trans	-65.2	-27.3	-179.7	-76	-58.1	134.3	0	0	112.7	K183 C184	E180-K183 WeakPolarHBondContact OE1-CD 3.47Å; E180-K183 IonicContact OE1-NZ 2.62Å; E180-K183 PolarHBondContact OE1-NZ 3.42Å; E180-C184 WeakPolarHBondContact O-CB 3.4Å; E180-C184 PolarHBondContact O-N 3.36Å
181	S	88.6	Confident	80.2	Confident	73 Å²	73	78.1 Å²	78.1	51%	0.51	41%	0.407	S	S	.	.	H	α-helix	trans	-65.5	-46.5	174.1	21.7	0	0	0	0	112.1	D179 C184 Y185	D179-S181 PolarHBondContact O-N 2.95Å; D179-S181 WeakPolarHBondContact OD1-CB 3.34Å; D179-S181 PolarHBondContact OD1-N 2.93Å; D179-S181 PolarHBondContact OD1-OG 3.09Å; D179-S181 PolarHBondContact OD2-OG 2.83Å; S181-C184 PolarHBondContact O-N 3.46Å; S181-Y185 WeakPolarHBondContact O-CB 3.43Å; S181-Y185 PolarHBondContact O-N 2.94Å
182	D	83.9	Confident	80.8	Confident	63 Å²	63	82.4 Å²	82.4	34%	0.337	42%	0.419	S	S	.	.	H	α-helix	trans	-64.4	-42.6	178.6	-75.3	-23.4	0	0	0	110.4	S173 A178 D179 C184 Y185 G186	S173-D182 WeakPolarHBondContact CB-O 3.34Å; A178-D182 HydrophobicContact CB-CB 4.44Å; D179-D182 PolarHBondContact O-N 3.32Å; D179-D182 VanDerWaalsContact OD1-CB 3.29Å; D179-D182 WeakPolarHBondContact OD1-CB 3.22Å; D179-D182 PolarHBondContact OD1-N 2.7Å; D182-C184 PolarHBondContact O-N 3.4Å; D182-Y185 PolarHBondContact O-N 2.8Å; D182-G186 PolarHBondContact O-N 3.47Å
183	K	78.8	Confident	81.2	Confident	68 Å²	68	79.3 Å²	79.3	30%	0.296	40%	0.402	S	S	.	.	H	α-helix	trans	-57.4	-47.3	172.7	-70.8	177.6	-160.9	167.1	0	112	A178 D179 E180 R187	A178-K183 HydrophobicContact CB-CG 4.3Å; A178-K183 VanDerWaalsContact O-CE 3.31Å; A178-K183 WeakPolarHBondContact O-CE 3.48Å; D179-K183 WeakPolarHBondContact O-CG 3.02Å; D179-K183 PolarHBondContact O-N 3.19Å; D179-K183 VanDerWaalsContact O-N 3.09Å; E180-K183 WeakPolarHBondContact OE1-CD 3.47Å; E180-K183 IonicContact OE1-NZ 2.62Å; E180-K183 PolarHBondContact OE1-NZ 3.42Å; K183-R187 VanDerWaalsContact O-CG 3.29Å; K183-R187 WeakPolarHBondContact O-CG 3.31Å; K183-R187 PolarHBondContact O-N 3.12Å; K183-R187 VanDerWaalsContact O-N 3.11Å
184	C	86.1	Confident	81.5	Confident	85 Å²	85	79.5 Å²	79.5	57%	0.574	40%	0.402	S	S	*	.	H	α-helix	trans	-65.2	-45.6	178.8	-171.9	0	0	0	0	111.6	E180 S181 D182 R187 L188	E180-C184 WeakPolarHBondContact O-CB 3.4Å; E180-C184 PolarHBondContact O-N 3.36Å; S181-C184 PolarHBondContact O-N 3.46Å; D182-C184 PolarHBondContact O-N 3.4Å; C184-R187 WeakPolarHBondContact O-CB 3.45Å; C184-R187 PolarHBondContact O-N 3.4Å; C184-L188 PolarHBondContact O-N 3.13Å
185	Y	88.5	Confident	82.5	Confident	110 Å²	110	80.9 Å²	80.9	43%	0.431	40%	0.404	S	S	.	.	H	α-helix	trans	-65.1	-42.5	-179.2	-171.8	-121.6	0	0	0	112.2	P169 S181 D182 R187 L188 K189	P169-Y185 HydrophobicContact CB-CD1 3.76Å; P169-Y185 HydrophobicContact CB-CE1 3.7Å; P169-Y185 HydrophobicContact CG-CD1 4.28Å; P169-Y185 HydrophobicContact CG-CE1 3.7Å; S181-Y185 WeakPolarHBondContact O-CB 3.43Å; S181-Y185 PolarHBondContact O-N 2.94Å; D182-Y185 PolarHBondContact O-N 2.8Å; Y185-R187 PolarHBondContact O-N 3.19Å; Y185-L188 WeakPolarHBondContact O-CB 3.32Å; Y185-L188 PolarHBondContact O-N 3.09Å; Y185-K189 HydrophobicContact CE1-CG 4.37Å; Y185-K189 HydrophobicContact CE2-CD 4.5Å; Y185-K189 VanDerWaalsContact CE2-CE 3.45Å; Y185-K189 HydrophobicContact CE2-CG 4.39Å; Y185-K189 WeakPolarHBondContact O-CG 3.34Å; Y185-K189 PolarHBondContact O-N 3.13Å; Y185-K189 WeakPolarHBondContact OH-CE 3.41Å; Y185-K189 PolarHBondContact OH-NZ 3.38Å
186	G	83.3	Confident	83.5	Confident	0 Å²	0	81.6 Å²	81.6	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-63.2	-39.5	174.1	0	0	0	0	0	113.2	D182 K189 R190	D182-G186 PolarHBondContact O-N 3.47Å; G186-K189 PolarHBondContact O-N 3.41Å; G186-R190 VanDerWaalsContact O-CB 3.28Å; G186-R190 WeakPolarHBondContact O-CB 3.27Å; G186-R190 PolarHBondContact O-N 3Å
187	R	81.7	Confident	84.4	Confident	159 Å²	159	74.1 Å²	74.1	60%	0.6	36%	0.355	S	S	*	.	H	α-helix	trans	-59.5	-45.6	172	-76.5	172.9	-172.8	-175.9	5.3	111.7	K183 C184 Y185 R190 K191	K183-R187 VanDerWaalsContact O-CG 3.29Å; K183-R187 WeakPolarHBondContact O-CG 3.31Å; K183-R187 PolarHBondContact O-N 3.12Å; K183-R187 VanDerWaalsContact O-N 3.11Å; C184-R187 WeakPolarHBondContact O-CB 3.45Å; C184-R187 PolarHBondContact O-N 3.4Å; Y185-R187 PolarHBondContact O-N 3.19Å; R187-R190 PolarHBondContact O-N 2.73Å; R187-K191 PolarHBondContact O-N 2.84Å
188	L	87.6	Confident	84.8	Confident	107 Å²	107	70.8 Å²	70.8	56%	0.56	34%	0.344	S	S	*	.	H	α-helix	trans	-61.1	-49.3	178.1	-177.2	72.9	0	0	0	111.6	C184 Y185 R190 K191 R192	C184-L188 PolarHBondContact O-N 3.13Å; Y185-L188 WeakPolarHBondContact O-CB 3.32Å; Y185-L188 PolarHBondContact O-N 3.09Å; L188-R190 VanDerWaalsContact C-N 3.33Å; L188-R190 PolarHBondContact O-N 3.12Å; L188-K191 PolarHBondContact O-N 3.09Å; L188-R192 PolarHBondContact O-N 3.44Å
189	K	88.3	Confident	85.4	Confident	31 Å²	31	78.6 Å²	78.6	14%	0.135	38%	0.375	C	S	.	.	H	α-helix	trans	-62.7	-39.6	179.8	-69.7	-59.9	-173.1	174.2	0	112.4	I165 Y166 P169 I170 Y185 G186 R192 L193	I165-K189 VanDerWaalsContact O-CD 3.3Å; I165-K189 WeakPolarHBondContact O-CD 3.28Å; Y166-K189 HydrophobicContact CD1-CB 4.32Å; Y166-K189 WeakPolarHBondContact CD1-O 3.31Å; P169-K189 HydrophobicContact CB-CB 4.4Å; P169-K189 HydrophobicContact CB-CG 3.94Å; P169-K189 HydrophobicContact CG-CG 4.37Å; I170-K189 HydrophobicContact CG1-CB 4.41Å; Y185-K189 HydrophobicContact CE1-CG 4.37Å; Y185-K189 HydrophobicContact CE2-CD 4.5Å; Y185-K189 VanDerWaalsContact CE2-CE 3.45Å; Y185-K189 HydrophobicContact CE2-CG 4.39Å; Y185-K189 WeakPolarHBondContact O-CG 3.34Å; Y185-K189 PolarHBondContact O-N 3.13Å; Y185-K189 WeakPolarHBondContact OH-CE 3.41Å; Y185-K189 PolarHBondContact OH-NZ 3.38Å; G186-K189 PolarHBondContact O-N 3.41Å; K189-R192 PolarHBondContact O-N 2.85Å; K189-L193 WeakPolarHBondContact O-CB 3.49Å; K189-L193 PolarHBondContact O-N 3.05Å
190	R	81.5	Confident	85.5	Confident	40 Å²	40	78.1 Å²	78.1	15%	0.151	37%	0.37	C	S	.	.	H	α-helix	trans	-63.3	-46.2	174.2	176	167.8	40	128.3	-12.2	112.3	I170 G186 R187 L188 R192 L193 N194 D471	I170-R190 HydrophobicContact CD1-CB 4.21Å; I170-R190 HydrophobicContact CG1-CB 4.32Å; G186-R190 VanDerWaalsContact O-CB 3.28Å; G186-R190 WeakPolarHBondContact O-CB 3.27Å; G186-R190 PolarHBondContact O-N 3Å; R187-R190 PolarHBondContact O-N 2.73Å; L188-R190 VanDerWaalsContact C-N 3.33Å; L188-R190 PolarHBondContact O-N 3.12Å; R190-R192 VanDerWaalsContact C-N 3.31Å; R190-R192 PolarHBondContact O-N 2.59Å; R190-L193 PolarHBondContact O-N 3.39Å; R190-N194 PolarHBondContact O-N 3.1Å; R190-N194 PolarHBondContact O-ND2 3.1Å; R190-D471 IonicContact CZ-OD1 2.75Å; R190-D471 IonicContact NH1-OD1 2.79Å; R190-D471 PolarHBondContact NH1-OD1 3.41Å; R190-D471 VanDerWaalsContact NH1-OD1 3.07Å; R190-D471 IonicContact NH2-OD1 2.88Å
191	K	84.5	Confident	85.5	Confident	135 Å²	135	73.9 Å²	73.9	59%	0.587	35%	0.351	S	S	*	.	H	α-helix	trans	-57	-47	176.4	-172.3	178.5	177.8	-179.1	0	111.1	R187 L188 L193 N194 E195	R187-K191 PolarHBondContact O-N 2.84Å; L188-K191 PolarHBondContact O-N 3.09Å; K191-L193 PolarHBondContact O-N 3.47Å; K191-N194 PolarHBondContact O-N 2.97Å; K191-E195 WeakPolarHBondContact CE-OE1 3.48Å; K191-E195 WeakPolarHBondContact O-CG 3.46Å; K191-E195 PolarHBondContact O-N 3.48Å
192	R	88.5	Confident	85.4	Confident	146 Å²	146	76.4 Å²	76.4	55%	0.551	36%	0.358	S	S	*	.	H	α-helix	trans	-61.1	-42.6	176.5	-175	174.1	179.1	144.7	-1.3	112.7	Y166 L188 K189 R190 N194 E195 Q196	Y166-R192 HydrophobicContact CE1-CB 4.45Å; Y166-R192 HydrophobicContact CE1-CG 4.4Å; L188-R192 PolarHBondContact O-N 3.44Å; K189-R192 PolarHBondContact O-N 2.85Å; R190-R192 VanDerWaalsContact C-N 3.31Å; R190-R192 PolarHBondContact O-N 2.59Å; R192-N194 VanDerWaalsContact C-N 3.32Å; R192-N194 PolarHBondContact O-N 3.25Å; R192-E195 PolarHBondContact O-N 3.26Å; R192-Q196 PolarHBondContact O-N 2.81Å; R192-Q196 VanDerWaalsContact O-N 3.13Å
193	L	86.4	Confident	85.3	Confident	0 Å²	0	78 Å²	78	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-61.2	-43.3	176.2	-179.6	52.9	0	0	0	110.9	L141 L156 F162 Y166 I170 K189 R190 K191 E195 Q196 L197 V469	L141-L193 HydrophobicContact CD2-CD2 3.98Å; L156-L193 HydrophobicContact CD2-CD1 4Å; F162-L193 HydrophobicContact CE2-CD1 3.8Å; F162-L193 HydrophobicContact CE2-CD2 4.18Å; F162-L193 HydrophobicContact CZ-CD1 4.45Å; F162-L193 HydrophobicContact CZ-CD2 4.12Å; Y166-L193 HydrophobicContact CD1-CB 3.73Å; Y166-L193 HydrophobicContact CD1-CD1 4.45Å; Y166-L193 HydrophobicContact CD1-CD2 4.28Å; Y166-L193 HydrophobicContact CD1-CG 4.37Å; Y166-L193 HydrophobicContact CD2-CD1 4.36Å; Y166-L193 HydrophobicContact CE1-CB 3.77Å; Y166-L193 HydrophobicContact CE1-CD1 4.48Å; Y166-L193 HydrophobicContact CE2-CD1 4.35Å; Y166-L193 HydrophobicContact CG-CB 4.39Å; Y166-L193 HydrophobicContact CG-CD1 4.38Å; Y166-L193 HydrophobicContact CG-CD2 4.2Å; I170-L193 HydrophobicContact CD1-CD2 4.23Å; K189-L193 WeakPolarHBondContact O-CB 3.49Å; K189-L193 PolarHBondContact O-N 3.05Å; R190-L193 PolarHBondContact O-N 3.39Å; K191-L193 PolarHBondContact O-N 3.47Å; L193-E195 PolarHBondContact O-N 3.15Å; L193-Q196 PolarHBondContact O-N 3.22Å; L193-L197 HydrophobicContact CD1-CD1 3.89Å; L193-L197 HydrophobicContact CD1-CD2 4.5Å; L193-L197 HydrophobicContact CD1-CG 3.97Å; L193-L197 HydrophobicContact CG-CD1 3.74Å; L193-L197 HydrophobicContact CG-CG 4.3Å; L193-L197 WeakPolarHBondContact O-CB 3.29Å; L193-L197 VanDerWaalsContact O-CG 3.22Å; L193-L197 WeakPolarHBondContact O-CG 3.37Å; L193-L197 PolarHBondContact O-N 3.05Å; L193-V469 HydrophobicContact CD2-CG2 3.65Å; L193-V469 HydrophobicContact CG-CG2 3.89Å
194	N	82.7	Confident	85.4	Confident	19 Å²	19	81.5 Å²	81.5	10%	0.102	37%	0.371	C	S	.	.	H	α-helix	trans	-64.3	-40.4	177.3	-73.7	-50.4	0	0	0	113.6	R190 K191 R192 Q196 L197 S198 S467 V468 V469	R190-N194 PolarHBondContact O-N 3.1Å; R190-N194 PolarHBondContact O-ND2 3.1Å; K191-N194 PolarHBondContact O-N 2.97Å; R192-N194 VanDerWaalsContact C-N 3.32Å; R192-N194 PolarHBondContact O-N 3.25Å; N194-Q196 PolarHBondContact O-N 3.18Å; N194-L197 PolarHBondContact O-N 2.98Å; N194-S198 VanDerWaalsContact O-CB 3.29Å; N194-S198 WeakPolarHBondContact O-CB 3.33Å; N194-S198 PolarHBondContact O-N 2.76Å; N194-S198 PolarHBondContact O-OG 3.14Å; N194-S467 VanDerWaalsContact CG-OG 3.29Å; N194-S467 WeakPolarHBondContact ND2-CB 3.46Å; N194-S467 PolarHBondContact ND2-OG 3.07Å; N194-S467 PolarHBondContact OD1-OG 3.26Å; N194-V468 PolarHBondContact OD1-N 2.84Å; N194-V469 PolarHBondContact OD1-N 3.48Å; N194-V469 VanDerWaalsContact OD1-N 3.09Å
195	E	87.1	Confident	84.9	Confident	102 Å²	102	79.5 Å²	79.5	48%	0.477	36%	0.356	S	S	.	.	H	α-helix	trans	-63.1	-31.2	175.1	-71.6	168.6	-175.3	0	0	112.4	K191 R192 L193 S198	K191-E195 WeakPolarHBondContact CE-OE1 3.48Å; K191-E195 WeakPolarHBondContact O-CG 3.46Å; K191-E195 PolarHBondContact O-N 3.48Å; R192-E195 PolarHBondContact O-N 3.26Å; L193-E195 PolarHBondContact O-N 3.15Å; E195-S198 PolarHBondContact O-OG 2.9Å
196	Q	87.4	Confident	84.1	Confident	54 Å²	54	76.4 Å²	76.4	25%	0.252	35%	0.345	S	S	.	.	H	α-helix	trans	-73.7	-47.6	172.1	-71.5	-168.1	-38.5	0	0	111.4	L156 Y166 R192 L193 N194 S198 K199 F200	L156-Q196 HydrophobicContact CD2-CB 4.42Å; Y166-Q196 PolarHBondContact OH-OE1 2.92Å; R192-Q196 PolarHBondContact O-N 2.81Å; R192-Q196 VanDerWaalsContact O-N 3.13Å; L193-Q196 PolarHBondContact O-N 3.22Å; N194-Q196 PolarHBondContact O-N 3.18Å; Q196-S198 VanDerWaalsContact C-N 3.35Å; Q196-S198 PolarHBondContact O-N 3.08Å; Q196-K199 WeakPolarHBondContact O-CB 3.47Å; Q196-K199 PolarHBondContact O-N 2.94Å; Q196-F200 WeakPolarHBondContact O-CD1 3.34Å; Q196-F200 VanDerWaalsContact O-CE1 3.28Å; Q196-F200 WeakPolarHBondContact O-CE1 3.43Å
197	L	85.3	Confident	83.6	Confident	0 Å²	0	82.4 Å²	82.4	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-64.9	-36.7	-178.2	-68.4	171	0	0	0	112.3	L144 C148 L156 L193 N194 K199 F200 L201 V468 V469	L144-L197 HydrophobicContact CD2-CD1 3.81Å; C148-L197 HydrophobicContact CB-CD2 4.44Å; C148-L197 WeakPolarHBondContact SG-CD2 3.42Å; L156-L197 HydrophobicContact CD1-CD2 4.32Å; L193-L197 HydrophobicContact CD1-CD1 3.89Å; L193-L197 HydrophobicContact CD1-CD2 4.5Å; L193-L197 HydrophobicContact CD1-CG 3.97Å; L193-L197 HydrophobicContact CG-CD1 3.74Å; L193-L197 HydrophobicContact CG-CG 4.3Å; L193-L197 WeakPolarHBondContact O-CB 3.29Å; L193-L197 VanDerWaalsContact O-CG 3.22Å; L193-L197 WeakPolarHBondContact O-CG 3.37Å; L193-L197 PolarHBondContact O-N 3.05Å; N194-L197 PolarHBondContact O-N 2.98Å; L197-K199 PolarHBondContact O-N 3.08Å; L197-F200 HydrophobicContact CD2-CE1 4.47Å; L197-F200 HydrophobicContact CD2-CE2 4.04Å; L197-F200 HydrophobicContact CD2-CZ 3.64Å; L197-F200 PolarHBondContact O-N 3.2Å; L197-F200 VanDerWaalsContact O-N 3.09Å; L197-L201 VanDerWaalsContact O-CB 3.29Å; L197-L201 WeakPolarHBondContact O-CB 3.2Å; L197-L201 PolarHBondContact O-N 3.34Å; L197-V468 HydrophobicContact CB-CB 4.02Å; L197-V468 HydrophobicContact CB-CG1 4.05Å; L197-V468 HydrophobicContact CB-CG2 3.95Å; L197-V468 HydrophobicContact CD1-CB 3.84Å; L197-V468 HydrophobicContact CD1-CG1 3.71Å; L197-V468 HydrophobicContact CG-CG1 4.41Å; L197-V469 HydrophobicContact CD1-CG2 3.58Å
198	S	84.8	Confident	83.5	Confident	78 Å²	78	78.2 Å²	78.2	55%	0.545	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-16.7	-178	65.4	0	0	0	0	113.7	N194 E195 Q196 F200	N194-S198 VanDerWaalsContact O-CB 3.29Å; N194-S198 WeakPolarHBondContact O-CB 3.33Å; N194-S198 PolarHBondContact O-N 2.76Å; N194-S198 PolarHBondContact O-OG 3.14Å; E195-S198 PolarHBondContact O-OG 2.9Å; Q196-S198 VanDerWaalsContact C-N 3.35Å; Q196-S198 PolarHBondContact O-N 3.08Å; S198-F200 VanDerWaalsContact C-N 3.34Å
199	K	87.4	Confident	82.9	Confident	175 Å²	175	75.1 Å²	75.1	76%	0.761	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-26.5	176.9	-62.3	179.3	-177.3	-178.1	0	113.2	Q196 L197	Q196-K199 WeakPolarHBondContact O-CB 3.47Å; Q196-K199 PolarHBondContact O-N 2.94Å; L197-K199 PolarHBondContact O-N 3.08Å
200	F	87.1	Confident	82.2	Confident	68 Å²	68	75 Å²	75	30%	0.298	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.6	-10.4	-174.7	60.5	-92.9	0	0	0	114.2	C148 V155 Q196 L197 S198	C148-F200 HydrophobicContact CB-CE2 3.87Å; C148-F200 HydrophobicContact CB-CZ 4.12Å; V155-F200 HydrophobicContact CG1-CD1 4.49Å; V155-F200 HydrophobicContact CG1-CE1 3.82Å; V155-F200 HydrophobicContact CG1-CZ 4.45Å; Q196-F200 WeakPolarHBondContact O-CD1 3.34Å; Q196-F200 VanDerWaalsContact O-CE1 3.28Å; Q196-F200 WeakPolarHBondContact O-CE1 3.43Å; L197-F200 HydrophobicContact CD2-CE1 4.47Å; L197-F200 HydrophobicContact CD2-CE2 4.04Å; L197-F200 HydrophobicContact CD2-CZ 3.64Å; L197-F200 PolarHBondContact O-N 3.2Å; L197-F200 VanDerWaalsContact O-N 3.09Å; S198-F200 VanDerWaalsContact C-N 3.34Å
201	L	86.5	Confident	82.2	Confident	38 Å²	38	76.9 Å²	76.9	20%	0.199	38%	0.378	C	S	.	.			trans	-107.7	115.4	175.9	-169.6	149.1	0	0	0	110.4	P136 L144 L197 R203 V468	P136-L201 HydrophobicContact CB-CD1 4.19Å; L144-L201 HydrophobicContact CD1-CD1 4.32Å; L197-L201 VanDerWaalsContact O-CB 3.29Å; L197-L201 WeakPolarHBondContact O-CB 3.2Å; L197-L201 PolarHBondContact O-N 3.34Å; L201-R203 HydrophobicContact CD2-CB 4.09Å; L201-V468 HydrophobicContact CB-CG1 4.38Å; L201-V468 HydrophobicContact CD1-CG1 3.42Å; L201-V468 VanDerWaalsContact CD1-CG1 3.42Å; L201-V468 HydrophobicContact CD2-CB 4.2Å; L201-V468 HydrophobicContact CD2-CG1 3.41Å; L201-V468 VanDerWaalsContact CD2-CG1 3.41Å; L201-V468 HydrophobicContact CD2-CG2 3.79Å; L201-V468 HydrophobicContact CG-CG1 3.88Å
202	L	86.8	Confident	82.2	Confident	126 Å²	126	80 Å²	80	66%	0.66	39%	0.387	S	S	*	.			trans	-99.2	120.3	174.1	-179	65.2	0	0	0	110.3
203	R	81.1	Confident	82	Confident	96 Å²	96	74 Å²	74	36%	0.362	37%	0.366	S	S	.	.			trans	-123.5	131.6	172.8	-177.6	178	173.1	157.6	1.3	109.3	L201 E470	L201-R203 HydrophobicContact CD2-CB 4.09Å; R203-E470 IonicContact CZ-OE1 2.92Å; R203-E470 VanDerWaalsContact CZ-OE1 3.26Å; R203-E470 IonicContact NH1-OE1 3.2Å; R203-E470 PolarHBondContact NH1-OE1 3.42Å; R203-E470 IonicContact NH2-OE1 2.77Å; R203-E470 PolarHBondContact NH2-OE1 3.39Å
204	R	80.5	Confident	82.2	Confident	142 Å²	142	75.5 Å²	75.5	54%	0.536	38%	0.376	S	S	.	.			trans	-129.7	140.2	172	-66.9	178.3	-176.6	168.7	1	109.2	L3 T208	L3-R204 HydrophobicContact CD1-CB 3.64Å; L3-R204 VanDerWaalsContact CD1-O 3.3Å; L3-R204 WeakPolarHBondContact CD1-O 3.28Å; R204-T208 HydrophobicContact CB-CG2 4.26Å
205	T	75.9	Confident	82.5	Confident	44 Å²	44	78 Å²	78	27%	0.27	39%	0.386	S	S	.	.			trans	-90	171.9	177.9	58.6	0	0	0	0	110.4	E207 T208	T205-E207 PolarHBondContact O-N 3.32Å; T205-E207 PolarHBondContact OG1-OE2 3.13Å; T205-T208 PolarHBondContact O-OG1 3.39Å; T205-T208 VanDerWaalsContact O-OG1 3.13Å
206	Q	71.5	Confident	82.7	Confident	44 Å²	44	73.5 Å²	73.5	21%	0.206	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-15.6	176.3	-79.8	-177.1	-23	0	0	113.2	T208 I209 A210 W428	Q206-T208 PolarHBondContact O-N 2.62Å; Q206-I209 VanDerWaalsContact O-CG1 3.32Å; Q206-I209 WeakPolarHBondContact O-CG1 3.44Å; Q206-I209 PolarHBondContact O-N 2.83Å; Q206-I209 VanDerWaalsContact O-N 3.08Å; Q206-A210 PolarHBondContact O-N 2.94Å; Q206-A210 VanDerWaalsContact O-N 3.08Å; Q206-W428 HydrophobicContact CB-CZ3 4.1Å; Q206-W428 HydrophobicContact CG-CZ3 4.42Å
207	E	74.1	Confident	82.9	Confident	126 Å²	126	71.1 Å²	71.1	59%	0.589	35%	0.354	S	S	*	.	H	α-helix	trans	-56.1	-33.2	177.3	-68.4	145.9	-167.3	0	0	111.7	T205 I209 A210	T205-E207 PolarHBondContact O-N 3.32Å; T205-E207 PolarHBondContact OG1-OE2 3.13Å; E207-I209 PolarHBondContact O-N 2.89Å; E207-A210 WeakPolarHBondContact O-CB 3.4Å; E207-A210 PolarHBondContact O-N 3.21Å
208	T	77.6	Confident	83.2	Confident	72 Å²	72	71.5 Å²	71.5	44%	0.442	36%	0.356	S	S	.	.	H	α-helix	trans	-63.4	-26.3	-179.9	63.1	0	0	0	0	113.9	R204 T205 Q206	R204-T208 HydrophobicContact CB-CG2 4.26Å; T205-T208 PolarHBondContact O-OG1 3.39Å; T205-T208 VanDerWaalsContact O-OG1 3.13Å; Q206-T208 PolarHBondContact O-N 2.62Å
209	I	75.5	Confident	83.7	Confident	42 Å²	42	68 Å²	68	22%	0.215	33%	0.331	C	S	.	.	H	α-helix	trans	-108.7	-6.6	178.5	62.6	165.7	0	0	0	112.6	L3 Q206 E207 A211 Y212 L213	L3-I209 HydrophobicContact CD2-CB 4.29Å; L3-I209 HydrophobicContact CD2-CD1 3.66Å; L3-I209 HydrophobicContact CD2-CG1 3.64Å; L3-I209 HydrophobicContact CD2-CG2 3.72Å; Q206-I209 VanDerWaalsContact O-CG1 3.32Å; Q206-I209 WeakPolarHBondContact O-CG1 3.44Å; Q206-I209 PolarHBondContact O-N 2.83Å; Q206-I209 VanDerWaalsContact O-N 3.08Å; E207-I209 PolarHBondContact O-N 2.89Å; I209-A211 PolarHBondContact O-N 3.4Å; I209-Y212 PolarHBondContact O-N 3.2Å; I209-L213 HydrophobicContact CD1-CD1 3.61Å; I209-L213 HydrophobicContact CD1-CG 4.35Å; I209-L213 HydrophobicContact CG1-CD1 3.99Å; I209-L213 PolarHBondContact O-N 2.96Å
210	A	74.5	Confident	84.1	Confident	29 Å²	29	59.6 Å²	59.6	24%	0.24	29%	0.294	C	S	.	.	H	α-helix	trans	-58.3	-35.6	-175.1	0	0	0	0	0	111.9	Q206 E207 Y212 L213 W428	Q206-A210 PolarHBondContact O-N 2.94Å; Q206-A210 VanDerWaalsContact O-N 3.08Å; E207-A210 WeakPolarHBondContact O-CB 3.4Å; E207-A210 PolarHBondContact O-N 3.21Å; A210-Y212 PolarHBondContact O-N 3.32Å; A210-L213 PolarHBondContact O-N 3.05Å; A210-W428 HydrophobicContact CB-CH2 4.15Å
211	A	80.8	Confident	84.5	Confident	78 Å²	78	56.4 Å²	56.4	65%	0.645	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.1	177.5	0	0	0	0	0	114.4	I209	I209-A211 PolarHBondContact O-N 3.4Å
212	Y	84.5	Confident	84.9	Confident	200 Å²	200	54.6 Å²	54.6	78%	0.784	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-7.9	-177.7	-53.6	-79.9	0	0	0	112.9	I209 A210	I209-Y212 PolarHBondContact O-N 3.2Å; A210-Y212 PolarHBondContact O-N 3.32Å
213	L	84.8	Confident	85.4	Confident	21 Å²	21	48.6 Å²	48.6	11%	0.11	24%	0.239	C	C	.	.	S	Bend	trans	-96.4	150.2	178.8	-69.8	-177.7	0	0	0	110.7	I209 A210 W428	I209-L213 HydrophobicContact CD1-CD1 3.61Å; I209-L213 HydrophobicContact CD1-CG 4.35Å; I209-L213 HydrophobicContact CG1-CD1 3.99Å; I209-L213 PolarHBondContact O-N 2.96Å; A210-L213 PolarHBondContact O-N 3.05Å; L213-W428 HydrophobicContact CB-CH2 4.45Å; L213-W428 HydrophobicContact CB-CZ2 3.6Å; L213-W428 HydrophobicContact CD1-CD2 3.73Å; L213-W428 HydrophobicContact CD1-CE3 3.9Å; L213-W428 HydrophobicContact CD1-CG 4.44Å; L213-W428 HydrophobicContact CD1-CH2 3.8Å; L213-W428 HydrophobicContact CD1-CZ2 3.61Å; L213-W428 HydrophobicContact CD1-CZ3 3.94Å; L213-W428 HydrophobicContact CG-CZ2 4.26Å
214	P	89.6	Confident	86.1	Confident	31 Å²	31	49.9 Å²	49.9	20%	0.201	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-57.4	156.4	172.1	-25.1	35.4	0	0	0	112.1	K216 W428 Q432 R434	P214-K216 PolarHBondContact O-N 3.5Å; P214-W428 PolarHBondContact O-NE1 3.45Å; P214-Q432 WeakPolarHBondContact CD-O 3.31Å; P214-Q432 HydrophobicContact CG-CG 4.17Å; P214-Q432 VanDerWaalsContact CG-O 3.32Å; P214-Q432 WeakPolarHBondContact CG-O 3.3Å; P214-R434 VanDerWaalsContact CB-O 3.31Å; P214-R434 WeakPolarHBondContact CB-O 3.49Å
215	K	90.4	Very high	86.8	Confident	73 Å²	73	44.2 Å²	44.2	32%	0.317	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-46.5	132.4	175.3	-174.2	-179	-177.1	-173.6	0	110	V217 V435 C436 E544 S563	K215-V217 HydrophobicContact CD-CG2 4.31Å; K215-V217 HydrophobicContact CG-CG2 4.25Å; K215-V435 HydrophobicContact CB-CG1 4.2Å; K215-V435 HydrophobicContact CB-CG2 4.23Å; K215-V435 HydrophobicContact CG-CG1 4.5Å; K215-V435 CarbonylContact O-C 3.56Å; K215-V435 WeakPolarHBondContact O-CA 3.35Å; K215-V435 WeakPolarHBondContact O-CG1 3.1Å; K215-C436 PolarHBondContact O-N 2.84Å; K215-E544 IonicContact NZ-OE1 2.76Å; K215-E544 PolarHBondContact NZ-OE1 2.81Å; K215-S563 VanDerWaalsContact CE-CB 3.49Å
216	K	90.1	Very high	87.7	Confident	7 Å²	7	43 Å²	43	3%	0.03	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	133.8	171.5	-171	-178.2	77	98.9	0	108.3	P214 D218 M424 W428 C436 I438 S563 N564	P214-K216 PolarHBondContact O-N 3.5Å; K216-D218 IonicContact NZ-OD1 2.93Å; K216-D218 PolarHBondContact NZ-OD1 3.35Å; K216-D218 IonicContact NZ-OD2 3.53Å; K216-D218 PolarHBondContact NZ-OD2 2.93Å; K216-M424 HydrophobicContact CD-SD 4.23Å; K216-W428 HydrophobicContact CB-CD2 4.29Å; K216-W428 HydrophobicContact CB-CG 4.46Å; K216-W428 HydrophobicContact CB-CZ2 4.17Å; K216-W428 HydrophobicContact CD-CB 4.44Å; K216-W428 HydrophobicContact CD-CD2 3.65Å; K216-W428 HydrophobicContact CD-CE3 3.81Å; K216-W428 HydrophobicContact CD-CG 3.94Å; K216-W428 HydrophobicContact CD-CZ2 4.46Å; K216-W428 HydrophobicContact CD-CZ3 4.27Å; K216-W428 HydrophobicContact CG-CD2 4.32Å; K216-W428 HydrophobicContact CG-CG 4.3Å; K216-C436 CarbonylContact C-O 3.59Å; K216-C436 WeakPolarHBondContact CA-O 3.4Å; K216-C436 HydrophobicContact CG-CB 4.41Å; K216-I438 HydrophobicContact CD-CD1 3.96Å; K216-I438 HydrophobicContact CG-CD1 4.14Å; K216-S563 VanDerWaalsContact O-CA 3.28Å; K216-S563 WeakPolarHBondContact O-CA 3.48Å; K216-N564 HydrophobicContact CB-CB 4.38Å; K216-N564 WeakPolarHBondContact CE-ND2 3.37Å; K216-N564 PolarHBondContact O-N 3.42Å
217	V	92.5	Very high	88.7	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	121.3	174	-166.6	0	0	0	0	108.7	K215 Y219 V435 C436 R437 I438 Q562	K215-V217 HydrophobicContact CD-CG2 4.31Å; K215-V217 HydrophobicContact CG-CG2 4.25Å; V217-Y219 HydrophobicContact CB-CE2 3.96Å; V217-Y219 HydrophobicContact CG1-CD2 4.32Å; V217-Y219 HydrophobicContact CG1-CE1 4.07Å; V217-Y219 HydrophobicContact CG1-CE2 3.55Å; V217-Y219 VanDerWaalsContact CG1-CZ 3.4Å; V217-Y219 WeakPolarHBondContact CG1-OH 3.34Å; V217-V435 HydrophobicContact CG2-CG1 4.35Å; V217-C436 PolarHBondContact N-O 3.48Å; V217-R437 WeakPolarHBondContact O-CA 2.89Å; V217-I438 PolarHBondContact O-N 2.92Å; V217-Q562 CarbonylContact C-O 3.59Å; V217-Q562 WeakPolarHBondContact CA-O 3.45Å
218	D	92.3	Very high	89.6	Confident	8 Å²	8	41.3 Å²	41.3	4%	0.043	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	139.9	175.1	-66.9	-25.9	0	0	0	109.8	K216 I438 W531 T561 Q562	K216-D218 IonicContact NZ-OD1 2.93Å; K216-D218 PolarHBondContact NZ-OD1 3.35Å; K216-D218 IonicContact NZ-OD2 3.53Å; K216-D218 PolarHBondContact NZ-OD2 2.93Å; D218-I438 CarbonylContact C-O 3.55Å; D218-I438 WeakPolarHBondContact OD1-CB 3.29Å; D218-W531 HydrophobicContact CB-CH2 3.53Å; D218-W531 HydrophobicContact CB-CZ2 4.38Å; D218-W531 HydrophobicContact CB-CZ3 3.9Å; D218-T561 WeakPolarHBondContact O-CA 3.36Å; D218-T561 PolarHBondContact O-OG1 2.99Å; D218-Q562 PolarHBondContact N-O 3.38Å; D218-Q562 PolarHBondContact O-N 3.18Å; D218-Q562 VanDerWaalsContact O-N 3.1Å
219	Y	94.5	Very high	90.5	Very high	4 Å²	4	38 Å²	38	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	117.1	174.6	-59.5	-82.7	0	0	0	108.7	V217 R437 I438 Y439 R440 V543 S547 L549 V559 F560 T561	V217-Y219 HydrophobicContact CB-CE2 3.96Å; V217-Y219 HydrophobicContact CG1-CD2 4.32Å; V217-Y219 HydrophobicContact CG1-CE1 4.07Å; V217-Y219 HydrophobicContact CG1-CE2 3.55Å; V217-Y219 VanDerWaalsContact CG1-CZ 3.4Å; V217-Y219 WeakPolarHBondContact CG1-OH 3.34Å; Y219-R437 HydrophobicContact CE2-CB 4.31Å; Y219-R437 HydrophobicContact CE2-CG 4.38Å; Y219-I438 PolarHBondContact N-O 3.29Å; Y219-Y439 AromaticContact CD2-CD1 3.93Å; Y219-Y439 HydrophobicContact CD2-CD1 3.93Å; Y219-Y439 AromaticContact CD2-CE1 3.63Å; Y219-Y439 HydrophobicContact CD2-CE1 3.63Å; Y219-Y439 HydrophobicContact CE2-CE1 4.13Å; Y219-Y439 HydrophobicContact CG-CD1 4.21Å; Y219-Y439 HydrophobicContact CG-CE1 4.16Å; Y219-Y439 CarbonylContact O-C 3.4Å; Y219-Y439 WeakPolarHBondContact O-CA 3.43Å; Y219-R440 PolarHBondContact O-N 3.29Å; Y219-V543 HydrophobicContact CE1-CG1 3.94Å; Y219-S547 WeakPolarHBondContact OH-CB 3.39Å; Y219-L549 HydrophobicContact CD1-CD1 3.77Å; Y219-L549 HydrophobicContact CE1-CD1 4.36Å; Y219-L549 HydrophobicContact CG-CD1 3.94Å; Y219-V559 HydrophobicContact CD1-CG1 4.09Å; Y219-F560 CarbonylContact C-O 3.57Å; Y219-F560 WeakPolarHBondContact CA-O 3.46Å; Y219-T561 WeakPolarHBondContact CD1-OG1 3.44Å; Y219-T561 VanDerWaalsContact CE1-OG1 3.3Å; Y219-T561 WeakPolarHBondContact CE1-OG1 3.24Å
220	A	94.8	Very high	91.4	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	107.7	164.1	0	0	0	0	0	108	F222 I442 F452 W531 V559 F560	A220-F222 HydrophobicContact CB-CE2 4.14Å; A220-I442 HydrophobicContact CB-CD1 4.31Å; A220-F452 HydrophobicContact CB-CE2 4.16Å; A220-F452 HydrophobicContact CB-CZ 3.78Å; A220-W531 HydrophobicContact CB-CZ3 4.39Å; A220-V559 VanDerWaalsContact O-CA 3.3Å; A220-V559 WeakPolarHBondContact O-CA 3.42Å; A220-F560 HydrophobicContact CB-CB 4.24Å; A220-F560 PolarHBondContact N-O 3.22Å; A220-F560 PolarHBondContact O-N 2.69Å
221	V	95.9	Very high	92.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	113.7	-170.1	-174.7	0	0	0	0	109.2	V319 Y439 R440 L441 I442 L549 V556 V559	V221-V319 HydrophobicContact CG1-CG1 4.2Å; V221-Y439 HydrophobicContact CG2-CD1 4.42Å; V221-R440 PolarHBondContact N-O 3.07Å; V221-L441 HydrophobicContact CB-CD2 3.97Å; V221-L441 HydrophobicContact CG1-CD2 4.3Å; V221-L441 HydrophobicContact CG2-CD2 4.45Å; V221-I442 PolarHBondContact O-N 3.43Å; V221-L549 HydrophobicContact CG1-CD2 4.27Å; V221-L549 HydrophobicContact CG2-CD1 3.8Å; V221-L549 HydrophobicContact CG2-CD2 3.97Å; V221-V556 HydrophobicContact CG1-CG1 3.7Å; V221-V556 HydrophobicContact CG1-CG2 4.08Å; V221-V559 HydrophobicContact CG1-CG2 4.27Å; V221-V559 HydrophobicContact CG2-CG2 4.39Å
222	F	96	Very high	93	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	115.2	178.9	-70.7	-100.8	0	0	0	109.1	A220 I442 E449 F452 C496 V556 S557 F558 F560	A220-F222 HydrophobicContact CB-CE2 4.14Å; F222-I442 CarbonylContact C-O 3.55Å; F222-I442 WeakPolarHBondContact CA-O 3.35Å; F222-I442 HydrophobicContact CD1-CB 4.29Å; F222-I442 HydrophobicContact CD1-CG2 4.03Å; F222-I442 HydrophobicContact CE1-CB 4.28Å; F222-I442 HydrophobicContact CE1-CD1 4.2Å; F222-I442 HydrophobicContact CE1-CG2 3.81Å; F222-I442 HydrophobicContact CE2-CD1 3.98Å; F222-I442 HydrophobicContact CZ-CD1 3.76Å; F222-I442 HydrophobicContact CZ-CG2 4.46Å; F222-E449 HydrophobicContact CE1-CB 4.43Å; F222-E449 HydrophobicContact CE1-CG 3.89Å; F222-E449 WeakPolarHBondContact CE1-OE1 3.38Å; F222-F452 HydrophobicContact CE2-CE1 4.38Å; F222-F452 AromaticContact CZ-CD1 3.83Å; F222-F452 HydrophobicContact CZ-CD1 3.83Å; F222-F452 AromaticContact CZ-CE1 3.88Å; F222-F452 HydrophobicContact CZ-CE1 3.88Å; F222-C496 HydrophobicContact CD1-CB 4.41Å; F222-C496 VanDerWaalsContact CE1-SG 3.54Å; F222-V556 CarbonylContact O-C 3.56Å; F222-V556 WeakPolarHBondContact O-CA 3.39Å; F222-S557 PolarHBondContact O-N 3.06Å; F222-S557 PolarHBondContact O-OG 2.74Å; F222-F558 HydrophobicContact CB-CB 4.02Å; F222-F558 WeakPolarHBondContact CB-O 3.38Å; F222-F558 HydrophobicContact CD2-CB 4.39Å; F222-F558 HydrophobicContact CG-CB 4.35Å; F222-F558 PolarHBondContact N-O 3.37Å; F222-F560 HydrophobicContact CD2-CD2 4.18Å; F222-F560 HydrophobicContact CD2-CE2 4.3Å; F222-F560 AromaticContact CE2-CD2 3.51Å; F222-F560 HydrophobicContact CE2-CD2 3.51Å; F222-F560 AromaticContact CE2-CE2 3.61Å; F222-F560 HydrophobicContact CE2-CE2 3.61Å; F222-F560 HydrophobicContact CZ-CD2 4.28Å; F222-F560 HydrophobicContact CZ-CE2 4.01Å
223	C	95.9	Very high	93.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	133.5	-178.6	-51.1	0	0	0	0	108.8	K316 V319 I442 V443 T444 V555	C223-K316 HydrophobicContact CB-CG 4.19Å; C223-V319 HydrophobicContact CB-CG2 4.22Å; C223-I442 PolarHBondContact N-O 2.91Å; C223-V443 CarbonylContact O-C 3.55Å; C223-V443 WeakPolarHBondContact O-CA 3.25Å; C223-T444 PolarHBondContact O-N 3.41Å; C223-T444 PolarHBondContact O-OG1 2.86Å; C223-V555 CarbonylContact C-O 3.57Å
224	R	95.7	Very high	93.9	Very high	123 Å²	123	25.9 Å²	25.9	46%	0.464	16%	0.159	S	C	.	.	P	Polyproline II helix	trans	-70.2	138.1	171.5	-70.2	-167.7	169.8	174.2	-0.7	109.9	G315 V555	R224-G315 WeakPolarHBondContact O-CA 3.04Å; R224-V555 PolarHBondContact N-O 3.22Å
225	P	95.4	Very high	94	Very high	24 Å²	24	28.6 Å²	28.6	16%	0.156	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-63.5	146.6	171.5	26.3	-32.3	0	0	0	110.7	Q229 V230 V443 L492	P225-Q229 HydrophobicContact CB-CB 3.84Å; P225-V230 HydrophobicContact CB-CG2 3.92Å; P225-V230 HydrophobicContact CG-CG2 3.62Å; P225-V443 HydrophobicContact CB-CG1 3.79Å; P225-V443 HydrophobicContact CG-CG1 4.19Å; P225-L492 HydrophobicContact CG-CD2 4.21Å
226	S	94.8	Very high	94.1	Very high	17 Å²	17	25.1 Å²	25.1	12%	0.119	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-65.5	162.5	171.4	74.1	0	0	0	0	111.3	L228 Q229 V230 E312 D313	S226-L228 PolarHBondContact O-N 3.46Å; S226-Q229 WeakPolarHBondContact O-CB 3.39Å; S226-Q229 PolarHBondContact O-N 2.82Å; S226-Q229 WeakPolarHBondContact OG-CB 3.4Å; S226-Q229 WeakPolarHBondContact OG-CG 3.36Å; S226-Q229 PolarHBondContact OG-N 2.67Å; S226-V230 WeakPolarHBondContact O-CG2 3.46Å; S226-V230 PolarHBondContact O-N 2.86Å; S226-E312 VanDerWaalsContact CB-O 3.28Å; S226-E312 WeakPolarHBondContact CB-O 3.46Å; S226-D313 WeakPolarHBondContact CB-O 3.11Å; S226-D313 PolarHBondContact OG-O 3.38Å
227	A	93.7	Very high	94.2	Very high	92 Å²	92	25.4 Å²	25.4	76%	0.76	16%	0.155	S	C	*	.	H	α-helix	trans	-56.7	-38.4	175.6	0	0	0	0	0	112.1	V230 G231	A227-V230 PolarHBondContact O-N 3.06Å; A227-G231 PolarHBondContact O-N 3.15Å
228	L	93.3	Very high	94.1	Very high	43 Å²	43	33.2 Å²	33.2	23%	0.225	18%	0.184	C	C	.	.	H	α-helix	trans	-64	-47.4	174.1	-179.9	61.7	0	0	0	111.3	S226 V230 G231 V232 P270 F300 Y304 D313	S226-L228 PolarHBondContact O-N 3.46Å; L228-V230 VanDerWaalsContact C-N 3.32Å; L228-V230 PolarHBondContact O-N 3.07Å; L228-G231 PolarHBondContact O-N 3.46Å; L228-V232 HydrophobicContact CD1-CG2 3.98Å; L228-V232 HydrophobicContact CG-CG2 4.45Å; L228-V232 WeakPolarHBondContact O-CG2 3.29Å; L228-V232 PolarHBondContact O-N 3.13Å; L228-P270 HydrophobicContact CD2-CB 3.81Å; L228-P270 HydrophobicContact CD2-CG 3.93Å; L228-P270 HydrophobicContact CG-CB 4.34Å; L228-P270 HydrophobicContact CG-CG 4.28Å; L228-F300 HydrophobicContact CD1-CD1 4.29Å; L228-Y304 HydrophobicContact CD2-CD2 4.02Å; L228-Y304 HydrophobicContact CD2-CE2 3.52Å; L228-D313 HydrophobicContact CD2-CB 4.21Å
229	Q	95.4	Very high	94	Very high	4 Å²	4	33 Å²	33	2%	0.019	18%	0.183	C	C	.	.	H	α-helix	trans	-58.2	-44.9	176.4	-75.5	175.7	-50.1	0	0	111.3	P225 S226 G231 Y233 L266 C267 P270	P225-Q229 HydrophobicContact CB-CB 3.84Å; S226-Q229 WeakPolarHBondContact O-CB 3.39Å; S226-Q229 PolarHBondContact O-N 2.82Å; S226-Q229 WeakPolarHBondContact OG-CB 3.4Å; S226-Q229 WeakPolarHBondContact OG-CG 3.36Å; S226-Q229 PolarHBondContact OG-N 2.67Å; Q229-G231 PolarHBondContact O-N 3.33Å; Q229-Y233 WeakPolarHBondContact O-CB 3.47Å; Q229-Y233 PolarHBondContact O-N 3.25Å; Q229-L266 HydrophobicContact CG-CD1 4.17Å; Q229-L266 HydrophobicContact CG-CG 4.43Å; Q229-L266 PolarHBondContact NE2-O 3.04Å; Q229-C267 PolarHBondContact NE2-O 3.43Å; Q229-P270 HydrophobicContact CG-CG 3.8Å
230	V	95.6	Very high	93.7	Very high	41 Å²	41	32.8 Å²	32.8	25%	0.248	18%	0.182	C	C	.	.	H	α-helix	trans	-59.4	-47.6	178.2	172.7	0	0	0	0	111.5	P225 S226 A227 L228 G234 L490 L492	P225-V230 HydrophobicContact CB-CG2 3.92Å; P225-V230 HydrophobicContact CG-CG2 3.62Å; S226-V230 WeakPolarHBondContact O-CG2 3.46Å; S226-V230 PolarHBondContact O-N 2.86Å; A227-V230 PolarHBondContact O-N 3.06Å; L228-V230 VanDerWaalsContact C-N 3.32Å; L228-V230 PolarHBondContact O-N 3.07Å; V230-G234 PolarHBondContact O-N 3.46Å; V230-L490 HydrophobicContact CG1-CD2 4.38Å; V230-L492 HydrophobicContact CG1-CD1 3.65Å; V230-L492 HydrophobicContact CG1-CD2 4.29Å; V230-L492 HydrophobicContact CG2-CD2 3.83Å
231	G	94	Very high	93.4	Very high	47 Å²	47	38.2 Å²	38.2	49%	0.485	21%	0.206	S	C	.	.	H	α-helix	trans	-60.7	-51.5	179.6	0	0	0	0	0	112.8	A227 L228 Q229 G234 K235	A227-G231 PolarHBondContact O-N 3.15Å; L228-G231 PolarHBondContact O-N 3.46Å; Q229-G231 PolarHBondContact O-N 3.33Å; G231-G234 PolarHBondContact O-N 3.43Å; G231-K235 PolarHBondContact O-N 2.89Å
232	V	93.9	Very high	93	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-66.9	-42.8	-179.1	179.6	0	0	0	0	110.8	L228 G234 K235 I236 L266 L273 I296 F300	L228-V232 HydrophobicContact CD1-CG2 3.98Å; L228-V232 HydrophobicContact CG-CG2 4.45Å; L228-V232 WeakPolarHBondContact O-CG2 3.29Å; L228-V232 PolarHBondContact O-N 3.13Å; V232-G234 PolarHBondContact O-N 2.87Å; V232-K235 WeakPolarHBondContact O-CB 3.3Å; V232-K235 PolarHBondContact O-N 3.42Å; V232-K235 VanDerWaalsContact O-N 3.13Å; V232-I236 HydrophobicContact CG1-CD1 4.13Å; V232-I236 WeakPolarHBondContact O-CG1 3.44Å; V232-I236 PolarHBondContact O-N 3.47Å; V232-L266 HydrophobicContact CB-CD1 4.09Å; V232-L266 HydrophobicContact CB-CD2 3.91Å; V232-L266 HydrophobicContact CG1-CD1 4Å; V232-L266 HydrophobicContact CG1-CD2 3.77Å; V232-L273 HydrophobicContact CG1-CD2 3.89Å; V232-I296 HydrophobicContact CG1-CG2 4.46Å; V232-F300 HydrophobicContact CG1-CE2 3.93Å; V232-F300 HydrophobicContact CG1-CZ 4.08Å; V232-F300 HydrophobicContact CG2-CD1 4.49Å; V232-F300 HydrophobicContact CG2-CD2 4.35Å; V232-F300 HydrophobicContact CG2-CE1 4.23Å; V232-F300 HydrophobicContact CG2-CE2 4.07Å; V232-F300 HydrophobicContact CG2-CZ 4Å
233	Y	95	Very high	92.5	Very high	5 Å²	5	42.7 Å²	42.7	2%	0.02	23%	0.228	C	C	.	.	H	α-helix	trans	-62	-46	179.4	-159.7	-72.3	0	0	0	110.1	Q229 K235 I236 V237 M263 L266 T446 I447 L490	Q229-Y233 WeakPolarHBondContact O-CB 3.47Å; Q229-Y233 PolarHBondContact O-N 3.25Å; Y233-K235 PolarHBondContact O-N 2.83Å; Y233-I236 PolarHBondContact O-N 2.91Å; Y233-V237 HydrophobicContact CD1-CG2 3.49Å; Y233-V237 VanDerWaalsContact CD1-CG2 3.49Å; Y233-V237 HydrophobicContact CE1-CG2 3.49Å; Y233-V237 VanDerWaalsContact CE1-CG2 3.49Å; Y233-V237 WeakPolarHBondContact O-CG2 2.95Å; Y233-V237 PolarHBondContact O-N 2.98Å; Y233-M263 HydrophobicContact CE1-CE 4.17Å; Y233-M263 HydrophobicContact CE1-SD 4.26Å; Y233-M263 HydrophobicContact CE2-CB 3.96Å; Y233-M263 HydrophobicContact CE2-CG 3.99Å; Y233-M263 HydrophobicContact CE2-SD 4.39Å; Y233-M263 PolarHBondContact OH-SD 3.11Å; Y233-L266 HydrophobicContact CD2-CD2 3.88Å; Y233-L266 HydrophobicContact CG-CD2 4.19Å; Y233-T446 HydrophobicContact CD2-CG2 4.35Å; Y233-T446 HydrophobicContact CE2-CG2 3.97Å; Y233-I447 PolarHBondContact OH-N 3.46Å; Y233-L490 HydrophobicContact CD1-CB 3.8Å; Y233-L490 HydrophobicContact CD1-CD1 3.89Å; Y233-L490 HydrophobicContact CD1-CD2 4.07Å; Y233-L490 HydrophobicContact CD1-CG 4.13Å; Y233-L490 HydrophobicContact CE1-CB 3.91Å; Y233-L490 HydrophobicContact CE1-CD1 4.15Å; Y233-L490 HydrophobicContact CG-CD1 4.23Å; Y233-L490 HydrophobicContact CG-CD2 4.48Å
234	G	93.7	Very high	91.9	Very high	21 Å²	21	45.5 Å²	45.5	22%	0.216	24%	0.242	C	C	.	.	H	α-helix	trans	-55.4	-37.2	175.6	0	0	0	0	0	113.1	V230 G231 V232 R238	V230-G234 PolarHBondContact O-N 3.46Å; G231-G234 PolarHBondContact O-N 3.43Å; V232-G234 PolarHBondContact O-N 2.87Å; G234-R238 WeakPolarHBondContact O-CG 3.3Å; G234-R238 PolarHBondContact O-N 2.94Å; G234-R238 VanDerWaalsContact O-N 3.12Å
235	K	91.7	Very high	91.4	Very high	87 Å²	87	45 Å²	45	38%	0.378	25%	0.245	S	C	.	.	H	α-helix	trans	-69.3	-43.6	174.7	-172.3	66	174.9	-168.7	0	112.4	G231 V232 Y233 V237 R238 I239	G231-K235 PolarHBondContact O-N 2.89Å; V232-K235 WeakPolarHBondContact O-CB 3.3Å; V232-K235 PolarHBondContact O-N 3.42Å; V232-K235 VanDerWaalsContact O-N 3.13Å; Y233-K235 PolarHBondContact O-N 2.83Å; K235-V237 VanDerWaalsContact C-N 3.31Å; K235-V237 PolarHBondContact O-N 3.48Å; K235-R238 WeakPolarHBondContact O-CB 3.28Å; K235-R238 PolarHBondContact O-N 3.07Å; K235-I239 HydrophobicContact CG-CD1 4.31Å; K235-I239 WeakPolarHBondContact O-CG1 3.44Å; K235-I239 PolarHBondContact O-N 2.97Å
236	I	92.2	Very high	90.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.4	-44.7	176	-64.6	163.8	0	0	0	110.3	V232 Y233 R238 I239 A240 M259 C262 M263 L266 L273 I296	V232-I236 HydrophobicContact CG1-CD1 4.13Å; V232-I236 WeakPolarHBondContact O-CG1 3.44Å; V232-I236 PolarHBondContact O-N 3.47Å; Y233-I236 PolarHBondContact O-N 2.91Å; I236-R238 VanDerWaalsContact C-N 3.32Å; I236-R238 PolarHBondContact O-N 3.01Å; I236-I239 PolarHBondContact O-N 3.43Å; I236-A240 WeakPolarHBondContact O-CB 3.44Å; I236-A240 PolarHBondContact O-N 2.96Å; I236-M259 HydrophobicContact CG2-SD 4.11Å; I236-C262 HydrophobicContact CD1-CB 4.42Å; I236-M263 HydrophobicContact CG2-CE 3.69Å; I236-M263 HydrophobicContact CG2-CG 3.89Å; I236-L266 HydrophobicContact CD1-CD2 3.87Å; I236-L273 HydrophobicContact CD1-CD2 3.89Å; I236-I296 HydrophobicContact CG1-CD1 4.11Å; I236-I296 HydrophobicContact CG1-CG1 4.03Å
237	V	92.2	Very high	90	Very high	14 Å²	14	53.3 Å²	53.3	9%	0.085	29%	0.292	C	S	.	.	H	α-helix	trans	-59.4	-42.6	176.7	175.3	0	0	0	0	111.4	Y233 K235 A240 K241 M263 L488	Y233-V237 HydrophobicContact CD1-CG2 3.49Å; Y233-V237 VanDerWaalsContact CD1-CG2 3.49Å; Y233-V237 HydrophobicContact CE1-CG2 3.49Å; Y233-V237 VanDerWaalsContact CE1-CG2 3.49Å; Y233-V237 WeakPolarHBondContact O-CG2 2.95Å; Y233-V237 PolarHBondContact O-N 2.98Å; K235-V237 VanDerWaalsContact C-N 3.31Å; K235-V237 PolarHBondContact O-N 3.48Å; V237-A240 PolarHBondContact O-N 3.11Å; V237-K241 HydrophobicContact CG1-CD 4.38Å; V237-K241 WeakPolarHBondContact O-CG 3.48Å; V237-K241 PolarHBondContact O-N 3.22Å; V237-M263 HydrophobicContact CG2-CE 3.84Å; V237-L488 WeakPolarHBondContact CG1-O 3.18Å; V237-L488 WeakPolarHBondContact CG2-O 3.45Å
238	R	91	Very high	89.2	Confident	166 Å²	166	50.4 Å²	50.4	63%	0.626	26%	0.263	S	S	*	.	H	α-helix	trans	-62	-42.9	175.7	-72.3	174.7	-168.6	171.9	5.1	112	G234 K235 I236 K241 M242	G234-R238 WeakPolarHBondContact O-CG 3.3Å; G234-R238 PolarHBondContact O-N 2.94Å; G234-R238 VanDerWaalsContact O-N 3.12Å; K235-R238 WeakPolarHBondContact O-CB 3.28Å; K235-R238 PolarHBondContact O-N 3.07Å; I236-R238 VanDerWaalsContact C-N 3.32Å; I236-R238 PolarHBondContact O-N 3.01Å; R238-K241 PolarHBondContact O-N 3.39Å; R238-M242 WeakPolarHBondContact O-CG 3.33Å; R238-M242 PolarHBondContact O-N 3.29Å
239	I	89.3	Confident	88.3	Confident	3 Å²	3	55.9 Å²	55.9	2%	0.015	29%	0.291	C	S	.	.	H	α-helix	trans	-63	-45.6	176.6	-65.5	166.2	0	0	0	110.3	K235 I236 K241 M242 L243 M248 M259 I292 R295 I296	K235-I239 HydrophobicContact CG-CD1 4.31Å; K235-I239 WeakPolarHBondContact O-CG1 3.44Å; K235-I239 PolarHBondContact O-N 2.97Å; I236-I239 PolarHBondContact O-N 3.43Å; I239-K241 VanDerWaalsContact C-N 3.32Å; I239-K241 PolarHBondContact O-N 3.48Å; I239-M242 PolarHBondContact O-N 2.81Å; I239-L243 HydrophobicContact CG2-CD1 4Å; I239-L243 WeakPolarHBondContact O-CG 3.1Å; I239-L243 PolarHBondContact O-N 3.07Å; I239-M248 HydrophobicContact CG2-CE 3.94Å; I239-M259 HydrophobicContact CG2-SD 4.48Å; I239-I292 HydrophobicContact CG2-CG1 4.47Å; I239-I292 HydrophobicContact CG2-CG2 3.95Å; I239-R295 HydrophobicContact CD1-CB 3.8Å; I239-I296 HydrophobicContact CD1-CG1 4.08Å
240	A	87.7	Confident	87.1	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.4	-38.5	178.8	0	0	0	0	0	112.3	I236 V237 L243 M244 W255 M259 L488	I236-A240 WeakPolarHBondContact O-CB 3.44Å; I236-A240 PolarHBondContact O-N 2.96Å; V237-A240 PolarHBondContact O-N 3.11Å; A240-L243 PolarHBondContact O-N 3.44Å; A240-M244 WeakPolarHBondContact O-CG 3.46Å; A240-M244 PolarHBondContact O-N 3.04Å; A240-W255 HydrophobicContact CB-CZ3 4.16Å; A240-M259 HydrophobicContact CB-CG 4.28Å; A240-L488 HydrophobicContact CB-CD1 4.06Å; A240-L488 HydrophobicContact CB-CD2 4.4Å
241	K	88.2	Confident	85.8	Confident	115 Å²	115	60.9 Å²	60.9	50%	0.5	33%	0.326	S	S	.	.	H	α-helix	trans	-62.2	-45.4	172	-74.7	-179.9	178.3	-174.4	0	112.2	V237 R238 I239 L243 M244 E245	V237-K241 HydrophobicContact CG1-CD 4.38Å; V237-K241 WeakPolarHBondContact O-CG 3.48Å; V237-K241 PolarHBondContact O-N 3.22Å; R238-K241 PolarHBondContact O-N 3.39Å; I239-K241 VanDerWaalsContact C-N 3.32Å; I239-K241 PolarHBondContact O-N 3.48Å; K241-L243 VanDerWaalsContact C-N 3.28Å; K241-L243 PolarHBondContact O-N 3.46Å; K241-M244 HydrophobicContact CG-CE 4.36Å; K241-M244 PolarHBondContact O-N 3.1Å; K241-E245 WeakPolarHBondContact O-CB 3.29Å; K241-E245 WeakPolarHBondContact O-CG 3.23Å; K241-E245 PolarHBondContact O-N 3.49Å
242	M	88.1	Confident	84.6	Confident	82 Å²	82	66.9 Å²	66.9	40%	0.404	33%	0.334	S	S	.	.	H	α-helix	trans	-61.1	-36.3	176.6	-69.5	174.5	173.8	0	0	112.6	R238 I239 G246 K247 M248	R238-M242 WeakPolarHBondContact O-CG 3.33Å; R238-M242 PolarHBondContact O-N 3.29Å; I239-M242 PolarHBondContact O-N 2.81Å; M242-G246 PolarHBondContact O-N 2.93Å; M242-K247 HydrophobicContact CB-CB 4.44Å; M242-K247 PolarHBondContact O-N 3.36Å; M242-M248 HydrophobicContact CB-CB 4.23Å; M242-M248 PolarHBondContact O-N 2.92Å
243	L	86.1	Confident	83.5	Confident	12 Å²	12	72.5 Å²	72.5	6%	0.063	37%	0.37	C	S	.	.	H	α-helix	trans	-69.1	-41.8	174.6	-72.7	165.7	0	0	0	112.1	I239 A240 K241 G246 M248 W255 I292	I239-L243 HydrophobicContact CG2-CD1 4Å; I239-L243 WeakPolarHBondContact O-CG 3.1Å; I239-L243 PolarHBondContact O-N 3.07Å; A240-L243 PolarHBondContact O-N 3.44Å; K241-L243 VanDerWaalsContact C-N 3.28Å; K241-L243 PolarHBondContact O-N 3.46Å; L243-G246 PolarHBondContact O-N 2.96Å; L243-M248 HydrophobicContact CD2-CB 3.94Å; L243-M248 HydrophobicContact CD2-CE 4.13Å; L243-M248 HydrophobicContact CG-CB 4.3Å; L243-M248 HydrophobicContact CG-CE 4.3Å; L243-W255 HydrophobicContact CB-CD2 3.92Å; L243-W255 HydrophobicContact CB-CE3 3.92Å; L243-W255 HydrophobicContact CB-CH2 4.29Å; L243-W255 HydrophobicContact CB-CZ2 4.23Å; L243-W255 HydrophobicContact CB-CZ3 4.12Å; L243-W255 HydrophobicContact CD1-CB 4.46Å; L243-W255 HydrophobicContact CD1-CD2 4Å; L243-W255 HydrophobicContact CD1-CE3 3.61Å; L243-W255 HydrophobicContact CD1-CG 4.37Å; L243-W255 HydrophobicContact CD1-CZ3 4.29Å; L243-W255 HydrophobicContact CG-CD2 4.46Å; L243-W255 HydrophobicContact CG-CE3 4.38Å; L243-I292 HydrophobicContact CD1-CD1 3.9Å
244	M	83.5	Confident	82.7	Confident	58 Å²	58	78 Å²	78	29%	0.286	40%	0.396	S	S	.	.	H	α-helix	trans	-64.4	-38.6	176.1	-76.2	-169.2	-82.7	0	0	112.8	A240 K241 G246 W255 L484 K485 L488	A240-M244 WeakPolarHBondContact O-CG 3.46Å; A240-M244 PolarHBondContact O-N 3.04Å; K241-M244 HydrophobicContact CG-CE 4.36Å; K241-M244 PolarHBondContact O-N 3.1Å; M244-G246 PolarHBondContact O-N 2.98Å; M244-W255 HydrophobicContact CG-CH2 3.41Å; M244-W255 VanDerWaalsContact CG-CH2 3.41Å; M244-W255 HydrophobicContact CG-CZ2 3.66Å; M244-W255 HydrophobicContact SD-CH2 4.41Å; M244-L484 HydrophobicContact CG-CD2 4.31Å; M244-L484 HydrophobicContact SD-CD2 3.72Å; M244-K485 HydrophobicContact CE-CG 4.36Å; M244-K485 HydrophobicContact SD-CG 4.13Å; M244-L488 HydrophobicContact CE-CD1 3.65Å; M244-L488 HydrophobicContact SD-CD1 4.2Å
245	E	85	Confident	82.1	Confident	113 Å²	113	79 Å²	79	53%	0.528	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	0.2	-179.9	-68.1	172.3	-168.7	0	0	113.3	K241 K247	K241-E245 WeakPolarHBondContact O-CB 3.29Å; K241-E245 WeakPolarHBondContact O-CG 3.23Å; K241-E245 PolarHBondContact O-N 3.49Å; E245-K247 HydrophobicContact CB-CD 4.32Å; E245-K247 HydrophobicContact CB-CG 4.23Å; E245-K247 PolarHBondContact O-N 3.48Å; E245-K247 WeakPolarHBondContact OE2-CD 3.37Å; E245-K247 VanDerWaalsContact OE2-CE 3.24Å; E245-K247 WeakPolarHBondContact OE2-CE 3.49Å; E245-K247 IonicContact OE2-NZ 3.6Å; E245-K247 PolarHBondContact OE2-NZ 3.26Å
246	G	80.4	Confident	81.7	Confident	57 Å²	57	77.5 Å²	77.5	59%	0.588	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	6.9	-178.2	0	0	0	0	0	114.9	M242 L243 M244 M248	M242-G246 PolarHBondContact O-N 2.93Å; L243-G246 PolarHBondContact O-N 2.96Å; M244-G246 PolarHBondContact O-N 2.98Å; G246-M248 PolarHBondContact O-N 2.83Å
247	K	79.7	Confident	81.3	Confident	158 Å²	158	81.6 Å²	81.6	69%	0.687	41%	0.409	S	S	*	.	S	Bend	trans	-72.9	-17.7	176.8	-67.6	176.6	179.4	161.4	0	113	M242 E245	M242-K247 HydrophobicContact CB-CB 4.44Å; M242-K247 PolarHBondContact O-N 3.36Å; E245-K247 HydrophobicContact CB-CD 4.32Å; E245-K247 HydrophobicContact CB-CG 4.23Å; E245-K247 PolarHBondContact O-N 3.48Å; E245-K247 WeakPolarHBondContact OE2-CD 3.37Å; E245-K247 VanDerWaalsContact OE2-CE 3.24Å; E245-K247 WeakPolarHBondContact OE2-CE 3.49Å; E245-K247 IonicContact OE2-NZ 3.6Å; E245-K247 PolarHBondContact OE2-NZ 3.26Å
248	M	77.2	Confident	80.9	Confident	31 Å²	31	82.9 Å²	82.9	15%	0.153	42%	0.417	C	S	.	.	S	Bend	trans	-129.2	135.5	172.9	-122.4	176.7	74.1	0	0	108.4	I239 M242 L243 G246 I292 R295	I239-M248 HydrophobicContact CG2-CE 3.94Å; M242-M248 HydrophobicContact CB-CB 4.23Å; M242-M248 PolarHBondContact O-N 2.92Å; L243-M248 HydrophobicContact CD2-CB 3.94Å; L243-M248 HydrophobicContact CD2-CE 4.13Å; L243-M248 HydrophobicContact CG-CB 4.3Å; L243-M248 HydrophobicContact CG-CE 4.3Å; G246-M248 PolarHBondContact O-N 2.83Å; M248-I292 HydrophobicContact CE-CG1 3.86Å; M248-R295 PolarHBondContact SD-NH1 3.39Å
249	I	73.7	Confident	80.8	Confident	158 Å²	158	75 Å²	75	81%	0.81	39%	0.387	S	S	*	.			trans	-99.4	119.4	176.4	-58.6	173.3	0	0	0	107.5
250	S	70.9	Confident	80.8	Confident	24 Å²	24	75.6 Å²	75.6	17%	0.168	39%	0.39	C	S	.	.			trans	-85.7	136.8	169.2	166.8	0	0	0	0	109.4	R252 W255	S250-R252 PolarHBondContact O-N 3Å; S250-R252 PolarHBondContact OG-N 3.25Å; S250-R252 VanDerWaalsContact OG-N 3.13Å; S250-R252 PolarHBondContact OG-O 3.29Å; S250-W255 WeakPolarHBondContact OG-CB 3.29Å
251	P	67.6	Low	80.8	Confident	127 Å²	127	78.2 Å²	78.2	83%	0.825	41%	0.405	S	S	*	.	S	Bend	trans	-66.3	-19.8	174.2	26.7	-33.3	0	0	0	112.7
252	R	70.5	Confident	81	Confident	173 Å²	173	73.2 Å²	73.2	65%	0.653	38%	0.384	S	S	*	.	S	Bend	trans	-105.4	132	176.4	-66.6	-174.4	-179.9	167.2	1.3	111.1	S250 E254 W255	S250-R252 PolarHBondContact O-N 3Å; S250-R252 PolarHBondContact OG-N 3.25Å; S250-R252 VanDerWaalsContact OG-N 3.13Å; S250-R252 PolarHBondContact OG-O 3.29Å; R252-E254 PolarHBondContact O-N 3.11Å; R252-W255 PolarHBondContact O-N 3.49Å
253	P	70.2	Confident	81.3	Confident	119 Å²	119	69.3 Å²	69.3	77%	0.773	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-29.5	177.4	25.7	-32.7	0	0	0	112.2	W255	P253-W255 VanDerWaalsContact C-N 3.25Å; P253-W255 PolarHBondContact O-N 2.97Å
254	E	77	Confident	81.7	Confident	120 Å²	120	70 Å²	70	56%	0.561	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	36	179.5	-59.2	-177.8	171.8	0	0	113.2	R252 H256 L257	R252-E254 PolarHBondContact O-N 3.11Å; E254-H256 PolarHBondContact O-N 2.88Å; E254-H256 VanDerWaalsContact O-N 3.12Å; E254-L257 HydrophobicContact CB-CD1 4.14Å; E254-L257 HydrophobicContact CB-CG 4.37Å; E254-L257 PolarHBondContact O-N 2.65Å; E254-L257 VanDerWaalsContact O-N 3.1Å
255	W	82.5	Confident	82.2	Confident	41 Å²	41	68.2 Å²	68.2	16%	0.155	36%	0.357	C	S	.	.	H	α-helix	trans	-55.4	-32.6	-178.6	66.5	-97	0	0	0	112.7	A240 L243 M244 S250 R252 P253 L257 T258 M259 L484 L488	A240-W255 HydrophobicContact CB-CZ3 4.16Å; L243-W255 HydrophobicContact CB-CD2 3.92Å; L243-W255 HydrophobicContact CB-CE3 3.92Å; L243-W255 HydrophobicContact CB-CH2 4.29Å; L243-W255 HydrophobicContact CB-CZ2 4.23Å; L243-W255 HydrophobicContact CB-CZ3 4.12Å; L243-W255 HydrophobicContact CD1-CB 4.46Å; L243-W255 HydrophobicContact CD1-CD2 4Å; L243-W255 HydrophobicContact CD1-CE3 3.61Å; L243-W255 HydrophobicContact CD1-CG 4.37Å; L243-W255 HydrophobicContact CD1-CZ3 4.29Å; L243-W255 HydrophobicContact CG-CD2 4.46Å; L243-W255 HydrophobicContact CG-CE3 4.38Å; M244-W255 HydrophobicContact CG-CH2 3.41Å; M244-W255 VanDerWaalsContact CG-CH2 3.41Å; M244-W255 HydrophobicContact CG-CZ2 3.66Å; M244-W255 HydrophobicContact SD-CH2 4.41Å; S250-W255 WeakPolarHBondContact OG-CB 3.29Å; R252-W255 PolarHBondContact O-N 3.49Å; P253-W255 VanDerWaalsContact C-N 3.25Å; P253-W255 PolarHBondContact O-N 2.97Å; W255-L257 VanDerWaalsContact C-N 3.34Å; W255-L257 PolarHBondContact O-N 2.79Å; W255-T258 WeakPolarHBondContact O-CB 3.33Å; W255-T258 PolarHBondContact O-N 3.45Å; W255-T258 VanDerWaalsContact O-N 3.13Å; W255-M259 HydrophobicContact CE3-CG 3.78Å; W255-M259 HydrophobicContact CZ3-CG 4.01Å; W255-M259 PolarHBondContact O-N 3.27Å; W255-L484 HydrophobicContact CH2-CD2 3.9Å; W255-L484 HydrophobicContact CZ2-CD2 4.42Å; W255-L488 HydrophobicContact CH2-CD1 4.42Å
256	H	81.9	Confident	82.7	Confident	56 Å²	56	62.9 Å²	62.9	26%	0.259	33%	0.332	S	S	.	.	H	α-helix	trans	-61.3	-40.7	179.7	60.1	-83.8	0	0	0	111.6	E254 T258 M259 L260 L484	E254-H256 PolarHBondContact O-N 2.88Å; E254-H256 VanDerWaalsContact O-N 3.12Å; H256-T258 VanDerWaalsContact C-N 3.27Å; H256-T258 PolarHBondContact O-N 3.07Å; H256-M259 PolarHBondContact O-N 2.97Å; H256-M259 VanDerWaalsContact O-N 3.15Å; H256-L260 VanDerWaalsContact O-CG 3.26Å; H256-L260 WeakPolarHBondContact O-CG 3.18Å; H256-L260 PolarHBondContact O-N 3.24Å; H256-L484 HydrophobicContact CB-CD1 4.1Å; H256-L484 HydrophobicContact CB-CD2 4.38Å
257	L	84.1	Confident	83.5	Confident	87 Å²	87	60.2 Å²	60.2	46%	0.455	31%	0.305	S	S	.	.	H	α-helix	trans	-62.1	-37.6	176.2	-62.6	-175.8	0	0	0	111.8	E254 W255 L260 D261	E254-L257 HydrophobicContact CB-CD1 4.14Å; E254-L257 HydrophobicContact CB-CG 4.37Å; E254-L257 PolarHBondContact O-N 2.65Å; E254-L257 VanDerWaalsContact O-N 3.1Å; W255-L257 VanDerWaalsContact C-N 3.34Å; W255-L257 PolarHBondContact O-N 2.79Å; L257-L260 HydrophobicContact CD2-CD1 4.47Å; L257-L260 PolarHBondContact O-N 2.07Å; L257-D261 PolarHBondContact O-N 3.29Å
258	T	84.8	Confident	84.2	Confident	41 Å²	41	52.8 Å²	52.8	25%	0.252	27%	0.272	S	S	.	.	H	α-helix	trans	-65.6	-41.5	176	-53.2	0	0	0	0	110.8	W255 H256 D261 C262	W255-T258 WeakPolarHBondContact O-CB 3.33Å; W255-T258 PolarHBondContact O-N 3.45Å; W255-T258 VanDerWaalsContact O-N 3.13Å; H256-T258 VanDerWaalsContact C-N 3.27Å; H256-T258 PolarHBondContact O-N 3.07Å; T258-D261 PolarHBondContact O-N 3.36Å; T258-C262 PolarHBondContact O-N 3.48Å; T258-C262 PolarHBondContact O-SG 3.22Å; T258-C262 VanDerWaalsContact O-SG 3.35Å
259	M	87.8	Confident	85.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.8	-41.8	177.2	-66.2	-59.3	92.9	0	0	112.2	I236 I239 A240 W255 H256 D261 C262 M263 I292 L488	I236-M259 HydrophobicContact CG2-SD 4.11Å; I239-M259 HydrophobicContact CG2-SD 4.48Å; A240-M259 HydrophobicContact CB-CG 4.28Å; W255-M259 HydrophobicContact CE3-CG 3.78Å; W255-M259 HydrophobicContact CZ3-CG 4.01Å; W255-M259 PolarHBondContact O-N 3.27Å; H256-M259 PolarHBondContact O-N 2.97Å; H256-M259 VanDerWaalsContact O-N 3.15Å; M259-D261 VanDerWaalsContact C-N 3.32Å; M259-D261 PolarHBondContact O-N 2.8Å; M259-C262 PolarHBondContact O-N 3.05Å; M259-M263 VanDerWaalsContact O-CG 3.3Å; M259-M263 WeakPolarHBondContact O-CG 3.45Å; M259-M263 PolarHBondContact O-N 3.14Å; M259-I292 HydrophobicContact CE-CB 4.41Å; M259-I292 HydrophobicContact CE-CD1 4.33Å; M259-I292 HydrophobicContact CE-CG2 3.37Å; M259-I292 HydrophobicContact SD-CG2 4.09Å; M259-L488 HydrophobicContact CB-CD2 4.39Å
260	L	89.4	Confident	86.1	Confident	15 Å²	15	43.8 Å²	43.8	8%	0.079	23%	0.226	C	C	.	.	H	α-helix	trans	-61.9	-40.7	175.4	-62.2	173.9	0	0	0	111.2	H256 L257 M263 R264 I447 I487 L488	H256-L260 VanDerWaalsContact O-CG 3.26Å; H256-L260 WeakPolarHBondContact O-CG 3.18Å; H256-L260 PolarHBondContact O-N 3.24Å; L257-L260 HydrophobicContact CD2-CD1 4.47Å; L257-L260 PolarHBondContact O-N 2.07Å; L260-M263 PolarHBondContact O-N 3.21Å; L260-R264 WeakPolarHBondContact O-CG 3.09Å; L260-R264 PolarHBondContact O-N 3.34Å; L260-I447 HydrophobicContact CB-CD1 4.02Å; L260-I447 HydrophobicContact CD2-CD1 3.39Å; L260-I447 HydrophobicContact CG-CD1 4.26Å; L260-I487 HydrophobicContact CD2-CG2 3.43Å; L260-I487 VanDerWaalsContact CD2-CG2 3.43Å; L260-L488 HydrophobicContact CD2-CD2 4.05Å
261	D	88.7	Confident	87.2	Confident	56 Å²	56	42.8 Å²	42.8	30%	0.299	22%	0.22	S	C	.	.	H	α-helix	trans	-62.6	-47.1	175	-171.2	61.3	0	0	0	111.8	L257 T258 M259 M263 R264 K265	L257-D261 PolarHBondContact O-N 3.29Å; T258-D261 PolarHBondContact O-N 3.36Å; M259-D261 VanDerWaalsContact C-N 3.32Å; M259-D261 PolarHBondContact O-N 2.8Å; D261-M263 VanDerWaalsContact C-N 3.35Å; D261-M263 PolarHBondContact O-N 2.95Å; D261-R264 PolarHBondContact O-N 3.04Å; D261-K265 WeakPolarHBondContact O-CG 3.2Å; D261-K265 PolarHBondContact O-N 3.24Å; D261-K265 VanDerWaalsContact OD2-CE 3.23Å; D261-K265 WeakPolarHBondContact OD2-CE 3.02Å; D261-K265 IonicContact OD2-NZ 2.84Å; D261-K265 PolarHBondContact OD2-NZ 3.09Å
262	C	92	Very high	88.4	Confident	9 Å²	9	36.9 Å²	36.9	6%	0.061	18%	0.181	C	C	.	.	H	α-helix	trans	-58.5	-45	176.1	-70.4	0	0	0	0	112.3	I236 T258 M259 K265 L266 L273 I296	I236-C262 HydrophobicContact CD1-CB 4.42Å; T258-C262 PolarHBondContact O-N 3.48Å; T258-C262 PolarHBondContact O-SG 3.22Å; T258-C262 VanDerWaalsContact O-SG 3.35Å; M259-C262 PolarHBondContact O-N 3.05Å; C262-K265 PolarHBondContact O-N 3.08Å; C262-L266 WeakPolarHBondContact O-CB 3.22Å; C262-L266 PolarHBondContact O-N 3.49Å; C262-L273 HydrophobicContact CB-CD1 3.8Å; C262-I296 HydrophobicContact CB-CD1 4.45Å
263	M	94.2	Very high	89.5	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.2	-41.9	178.1	-71.1	179.9	175.3	0	0	111.7	Y233 I236 V237 M259 L260 D261 L266 C267 I447 L488	Y233-M263 HydrophobicContact CE1-CE 4.17Å; Y233-M263 HydrophobicContact CE1-SD 4.26Å; Y233-M263 HydrophobicContact CE2-CB 3.96Å; Y233-M263 HydrophobicContact CE2-CG 3.99Å; Y233-M263 HydrophobicContact CE2-SD 4.39Å; Y233-M263 PolarHBondContact OH-SD 3.11Å; I236-M263 HydrophobicContact CG2-CE 3.69Å; I236-M263 HydrophobicContact CG2-CG 3.89Å; V237-M263 HydrophobicContact CG2-CE 3.84Å; M259-M263 VanDerWaalsContact O-CG 3.3Å; M259-M263 WeakPolarHBondContact O-CG 3.45Å; M259-M263 PolarHBondContact O-N 3.14Å; L260-M263 PolarHBondContact O-N 3.21Å; D261-M263 VanDerWaalsContact C-N 3.35Å; D261-M263 PolarHBondContact O-N 2.95Å; M263-L266 PolarHBondContact O-N 3.08Å; M263-C267 PolarHBondContact O-N 2.99Å; M263-C267 PolarHBondContact O-SG 2.9Å; M263-I447 HydrophobicContact CB-CD1 4.45Å; M263-I447 HydrophobicContact CB-CG2 3.88Å; M263-L488 HydrophobicContact CE-CB 4.17Å; M263-L488 HydrophobicContact CE-CD2 3.44Å; M263-L488 VanDerWaalsContact CE-CD2 3.44Å; M263-L488 HydrophobicContact CE-CG 4.41Å; M263-L488 HydrophobicContact SD-CD2 3.64Å
264	R	94.5	Very high	90.6	Very high	27 Å²	27	24.6 Å²	24.6	10%	0.102	12%	0.121	C	C	.	.	H	α-helix	trans	-65.2	-44.2	176.6	-72	-177.3	77.6	-163	4.9	112	L260 D261 L266 C267 N268 F342 L413 I447	L260-R264 WeakPolarHBondContact O-CG 3.09Å; L260-R264 PolarHBondContact O-N 3.34Å; D261-R264 PolarHBondContact O-N 3.04Å; R264-L266 VanDerWaalsContact C-N 3.31Å; R264-L266 PolarHBondContact O-N 2.89Å; R264-C267 PolarHBondContact O-N 2.88Å; R264-N268 PolarHBondContact O-N 3.14Å; R264-F342 HydrophobicContact CB-CE2 4.5Å; R264-F342 HydrophobicContact CB-CZ 4.36Å; R264-F342 VanDerWaalsContact CZ-CZ 3.43Å; R264-L413 PolarHBondContact NH2-O 2.79Å; R264-I447 HydrophobicContact CG-CD1 4.19Å; R264-I447 HydrophobicContact CG-CG2 4.38Å
265	K	95	Very high	91.2	Very high	20 Å²	20	20.8 Å²	20.8	9%	0.087	11%	0.107	C	C	.	.	H	α-helix	trans	-57.6	-45.2	174.8	-76.1	174.6	170.7	161.6	0	111.4	D261 C262 N268 H269 I272 L273 S276 E344	D261-K265 WeakPolarHBondContact O-CG 3.2Å; D261-K265 PolarHBondContact O-N 3.24Å; D261-K265 VanDerWaalsContact OD2-CE 3.23Å; D261-K265 WeakPolarHBondContact OD2-CE 3.02Å; D261-K265 IonicContact OD2-NZ 2.84Å; D261-K265 PolarHBondContact OD2-NZ 3.09Å; C262-K265 PolarHBondContact O-N 3.08Å; K265-N268 PolarHBondContact O-N 3.33Å; K265-H269 CarbonylContact O-C 3.59Å; K265-H269 PolarHBondContact O-N 2.81Å; K265-I272 HydrophobicContact CB-CG2 4.1Å; K265-I272 HydrophobicContact CD-CG2 4.27Å; K265-I272 HydrophobicContact CG-CG2 3.89Å; K265-L273 HydrophobicContact CB-CB 4.16Å; K265-L273 HydrophobicContact CB-CD1 4.46Å; K265-S276 PolarHBondContact NZ-OG 2.96Å; K265-E344 VanDerWaalsContact CE-OE2 3.26Å; K265-E344 WeakPolarHBondContact CE-OE2 3.05Å
266	L	95.6	Very high	91.5	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-62.4	-44.2	177.1	-176.8	59.1	0	0	0	112.9	Q229 V232 Y233 I236 C262 M263 R264 N268 H269 P270 L273	Q229-L266 HydrophobicContact CG-CD1 4.17Å; Q229-L266 HydrophobicContact CG-CG 4.43Å; Q229-L266 PolarHBondContact NE2-O 3.04Å; V232-L266 HydrophobicContact CB-CD1 4.09Å; V232-L266 HydrophobicContact CB-CD2 3.91Å; V232-L266 HydrophobicContact CG1-CD1 4Å; V232-L266 HydrophobicContact CG1-CD2 3.77Å; Y233-L266 HydrophobicContact CD2-CD2 3.88Å; Y233-L266 HydrophobicContact CG-CD2 4.19Å; I236-L266 HydrophobicContact CD1-CD2 3.87Å; C262-L266 WeakPolarHBondContact O-CB 3.22Å; C262-L266 PolarHBondContact O-N 3.49Å; M263-L266 PolarHBondContact O-N 3.08Å; R264-L266 VanDerWaalsContact C-N 3.31Å; R264-L266 PolarHBondContact O-N 2.89Å; L266-N268 PolarHBondContact O-N 2.83Å; L266-H269 PolarHBondContact O-N 3.25Å; L266-P270 HydrophobicContact CD1-CB 4.1Å; L266-P270 HydrophobicContact CD1-CG 4.06Å; L266-L273 HydrophobicContact CB-CD2 3.96Å; L266-L273 HydrophobicContact CD1-CD2 4.19Å; L266-L273 HydrophobicContact CD2-CD2 4.5Å; L266-L273 HydrophobicContact CG-CD2 4.45Å
267	C	96	Very high	91.9	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.014	10%	0.095	C	C	.	.	H	α-helix	trans	-60.9	-35.9	177.1	-67.2	0	0	0	0	111.6	Q229 M263 R264 K316 V443 E448	Q229-C267 PolarHBondContact NE2-O 3.43Å; M263-C267 PolarHBondContact O-N 2.99Å; M263-C267 PolarHBondContact O-SG 2.9Å; R264-C267 PolarHBondContact O-N 2.88Å; C267-K316 WeakPolarHBondContact O-CE 3.45Å; C267-V443 HydrophobicContact CB-CB 4.45Å; C267-V443 HydrophobicContact CB-CG2 3.88Å; C267-E448 HydrophobicContact CB-CG 3.9Å
268	N	95.7	Very high	92	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-70	-58.1	175.1	-78	-4.2	0	0	0	111.8	R264 K265 L266 I272 S314 K316 T345 Y411 D412	R264-N268 PolarHBondContact O-N 3.14Å; K265-N268 PolarHBondContact O-N 3.33Å; L266-N268 PolarHBondContact O-N 2.83Å; N268-I272 HydrophobicContact CB-CD1 3.99Å; N268-S314 PolarHBondContact O-OG 3.49Å; N268-K316 PolarHBondContact OD1-NZ 3.27Å; N268-T345 HydrophobicContact CB-CG2 4.13Å; N268-T345 PolarHBondContact ND2-OG1 3.24Å; N268-Y411 HydrophobicContact CB-CE1 3.98Å; N268-Y411 PolarHBondContact O-OH 3.23Å; N268-D412 PolarHBondContact ND2-OD2 3.1Å
269	H	95.8	Very high	92.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.			trans	-165.9	136.8	172.9	-162.5	-85	0	0	0	111.7	K265 L266 A271 I272 R310 S314 L317 V348	K265-H269 CarbonylContact O-C 3.59Å; K265-H269 PolarHBondContact O-N 2.81Å; L266-H269 PolarHBondContact O-N 3.25Å; H269-A271 VanDerWaalsContact C-N 3.27Å; H269-A271 WeakPolarHBondContact ND1-CB 3.49Å; H269-A271 PolarHBondContact ND1-N 3.35Å; H269-A271 PolarHBondContact O-N 3.49Å; H269-I272 HydrophobicContact CB-CD1 3.81Å; H269-I272 HydrophobicContact CB-CG1 4.05Å; H269-I272 WeakPolarHBondContact O-CB 3.34Å; H269-I272 PolarHBondContact O-N 3.21Å; H269-R310 PolarHBondContact NE2-O 2.91Å; H269-R310 VanDerWaalsContact NE2-O 3.14Å; H269-S314 VanDerWaalsContact CD2-CB 3.48Å; H269-S314 WeakPolarHBondContact CD2-CB 3.29Å; H269-L317 VanDerWaalsContact CD2-CD2 3.46Å; H269-L317 WeakPolarHBondContact CD2-CD2 3.02Å; H269-V348 HydrophobicContact CB-CG1 4.31Å
270	P	94.7	Very high	92	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-55.7	-38	178.4	-25.8	34.3	0	0	0	114.2	L228 Q229 L266 I272 L273 F274 F300 D313	L228-P270 HydrophobicContact CD2-CB 3.81Å; L228-P270 HydrophobicContact CD2-CG 3.93Å; L228-P270 HydrophobicContact CG-CB 4.34Å; L228-P270 HydrophobicContact CG-CG 4.28Å; Q229-P270 HydrophobicContact CG-CG 3.8Å; L266-P270 HydrophobicContact CD1-CB 4.1Å; L266-P270 HydrophobicContact CD1-CG 4.06Å; P270-I272 PolarHBondContact O-N 3.44Å; P270-L273 PolarHBondContact O-N 3.49Å; P270-L273 VanDerWaalsContact O-N 3.13Å; P270-F274 PolarHBondContact O-N 2.87Å; P270-F300 HydrophobicContact CB-CE1 3.77Å; P270-F300 HydrophobicContact CB-CZ 4.3Å; P270-D313 WeakPolarHBondContact CD-O 3.12Å; P270-D313 HydrophobicContact CG-CB 4.24Å; P270-D313 WeakPolarHBondContact CG-O 3.3Å
271	A	93.2	Very high	91.7	Very high	4 Å²	4	22.7 Å²	22.7	3%	0.033	12%	0.124	C	C	.	.	H	α-helix	trans	-55.2	-35.7	176.3	0	0	0	0	0	114	H269 F274 S275 Y304 V306	H269-A271 VanDerWaalsContact C-N 3.27Å; H269-A271 WeakPolarHBondContact ND1-CB 3.49Å; H269-A271 PolarHBondContact ND1-N 3.35Å; H269-A271 PolarHBondContact O-N 3.49Å; A271-F274 PolarHBondContact O-N 3.01Å; A271-S275 WeakPolarHBondContact O-CB 3.42Å; A271-S275 PolarHBondContact O-N 2.97Å; A271-S275 PolarHBondContact O-OG 2.79Å; A271-Y304 VanDerWaalsContact CA-OH 3.26Å; A271-Y304 WeakPolarHBondContact CA-OH 2.85Å; A271-Y304 WeakPolarHBondContact CB-OH 3.48Å; A271-Y304 PolarHBondContact N-OH 2.9Å; A271-V306 HydrophobicContact CB-CG1 4.35Å
272	I	93.5	Very high	91.4	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.015	14%	0.138	C	C	.	.	H	α-helix	trans	-68.2	-43.6	179.6	-59.6	166.8	0	0	0	110.2	K265 N268 H269 P270 S275 S276 E344 T345 V348	K265-I272 HydrophobicContact CB-CG2 4.1Å; K265-I272 HydrophobicContact CD-CG2 4.27Å; K265-I272 HydrophobicContact CG-CG2 3.89Å; N268-I272 HydrophobicContact CB-CD1 3.99Å; H269-I272 HydrophobicContact CB-CD1 3.81Å; H269-I272 HydrophobicContact CB-CG1 4.05Å; H269-I272 WeakPolarHBondContact O-CB 3.34Å; H269-I272 PolarHBondContact O-N 3.21Å; P270-I272 PolarHBondContact O-N 3.44Å; I272-S275 PolarHBondContact O-OG 2.8Å; I272-S275 VanDerWaalsContact O-OG 3.13Å; I272-S276 VanDerWaalsContact O-CB 3.23Å; I272-S276 WeakPolarHBondContact O-CB 3.38Å; I272-S276 PolarHBondContact O-N 3.39Å; I272-E344 HydrophobicContact CG2-CB 3.8Å; I272-E344 WeakPolarHBondContact CG2-OE2 3.26Å; I272-T345 HydrophobicContact CD1-CG2 4.49Å; I272-T345 WeakPolarHBondContact CD1-OG1 3.48Å; I272-V348 HydrophobicContact CD1-CG2 4.06Å; I272-V348 HydrophobicContact CG1-CG2 3.63Å
273	L	93.4	Very high	90.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.3	-45.6	176.1	177.2	63.5	0	0	0	110.3	V232 I236 C262 K265 L266 P270 S276 C277 I296 F300	V232-L273 HydrophobicContact CG1-CD2 3.89Å; I236-L273 HydrophobicContact CD1-CD2 3.89Å; C262-L273 HydrophobicContact CB-CD1 3.8Å; K265-L273 HydrophobicContact CB-CB 4.16Å; K265-L273 HydrophobicContact CB-CD1 4.46Å; L266-L273 HydrophobicContact CB-CD2 3.96Å; L266-L273 HydrophobicContact CD1-CD2 4.19Å; L266-L273 HydrophobicContact CD2-CD2 4.5Å; L266-L273 HydrophobicContact CG-CD2 4.45Å; P270-L273 PolarHBondContact O-N 3.49Å; P270-L273 VanDerWaalsContact O-N 3.13Å; L273-S276 PolarHBondContact O-N 3.15Å; L273-C277 WeakPolarHBondContact O-CB 3.39Å; L273-C277 PolarHBondContact O-N 2.85Å; L273-C277 PolarHBondContact O-SG 3.49Å; L273-C277 VanDerWaalsContact O-SG 3.39Å; L273-I296 HydrophobicContact CD1-CG2 4.43Å; L273-I296 HydrophobicContact CD2-CG2 3.79Å; L273-I296 HydrophobicContact CG-CG2 4.14Å; L273-F300 HydrophobicContact CD2-CZ 4.41Å
274	F	92.3	Very high	89.7	Confident	34 Å²	34	36 Å²	36	15%	0.149	19%	0.187	C	C	.	.	H	α-helix	trans	-59.2	-51.7	-179.8	-174.5	-83.4	0	0	0	111.6	P270 A271 S276 C277 K278 L297 F300 Y304 V306	P270-F274 PolarHBondContact O-N 2.87Å; A271-F274 PolarHBondContact O-N 3.01Å; F274-S276 VanDerWaalsContact C-N 3.35Å; F274-S276 PolarHBondContact O-N 2.76Å; F274-C277 PolarHBondContact O-N 3.06Å; F274-K278 HydrophobicContact CE1-CD 4.09Å; F274-K278 WeakPolarHBondContact O-CB 3.38Å; F274-K278 PolarHBondContact O-N 3.25Å; F274-L297 HydrophobicContact CD2-CD2 3.74Å; F274-L297 HydrophobicContact CE2-CD2 3.87Å; F274-L297 HydrophobicContact CG-CD2 4.17Å; F274-L297 HydrophobicContact CZ-CD2 4.4Å; F274-F300 HydrophobicContact CB-CE1 4.18Å; F274-F300 HydrophobicContact CB-CZ 4.14Å; F274-F300 HydrophobicContact CD2-CB 4.09Å; F274-F300 AromaticContact CD2-CD1 3.91Å; F274-F300 HydrophobicContact CD2-CD1 3.91Å; F274-F300 AromaticContact CD2-CD2 3.89Å; F274-F300 HydrophobicContact CD2-CD2 3.89Å; F274-F300 HydrophobicContact CD2-CE1 4.29Å; F274-F300 HydrophobicContact CD2-CE2 4.28Å; F274-F300 AromaticContact CD2-CG 3.7Å; F274-F300 HydrophobicContact CD2-CG 3.7Å; F274-F300 HydrophobicContact CD2-CZ 4.47Å; F274-F300 HydrophobicContact CE2-CB 4.15Å; F274-F300 HydrophobicContact CE2-CG 4.26Å; F274-Y304 HydrophobicContact CB-CD1 4.45Å; F274-Y304 HydrophobicContact CB-CE1 3.98Å; F274-Y304 HydrophobicContact CD1-CD1 4.46Å; F274-Y304 AromaticContact CD2-CD1 3.73Å; F274-Y304 HydrophobicContact CD2-CD1 3.73Å; F274-Y304 HydrophobicContact CD2-CE1 4.12Å; F274-Y304 HydrophobicContact CE2-CD1 4.01Å; F274-Y304 AromaticContact CG-CD1 3.96Å; F274-Y304 HydrophobicContact CG-CD1 3.96Å; F274-Y304 AromaticContact CG-CE1 3.95Å; F274-Y304 HydrophobicContact CG-CE1 3.95Å; F274-Y304 HydrophobicContact CZ-CD1 4.47Å; F274-V306 HydrophobicContact CB-CG2 4.5Å; F274-V306 HydrophobicContact CD1-CG2 3.19Å; F274-V306 HydrophobicContact CE1-CG2 3.59Å; F274-V306 HydrophobicContact CG-CG2 4.1Å
275	S	90.3	Very high	88	Confident	39 Å²	39	42.8 Å²	42.8	27%	0.273	23%	0.225	S	C	.	.	H	α-helix	trans	-61.3	-43.7	178.9	64.8	0	0	0	0	111.5	A271 I272 C277 K278 D279	A271-S275 WeakPolarHBondContact O-CB 3.42Å; A271-S275 PolarHBondContact O-N 2.97Å; A271-S275 PolarHBondContact O-OG 2.79Å; I272-S275 PolarHBondContact O-OG 2.8Å; I272-S275 VanDerWaalsContact O-OG 3.13Å; S275-C277 VanDerWaalsContact C-N 3.34Å; S275-C277 PolarHBondContact O-N 2.62Å; S275-K278 PolarHBondContact O-N 2.77Å; S275-D279 WeakPolarHBondContact O-CB 3.44Å; S275-D279 VanDerWaalsContact O-CG 3.29Å; S275-D279 PolarHBondContact O-N 2.9Å
276	S	89.8	Confident	86.1	Confident	22 Å²	22	48.4 Å²	48.4	15%	0.154	26%	0.255	C	S	.	.	H	α-helix	trans	-63.5	-38.2	178.4	179.6	0	0	0	0	112.7	K265 I272 L273 F274 S280	K265-S276 PolarHBondContact NZ-OG 2.96Å; I272-S276 VanDerWaalsContact O-CB 3.23Å; I272-S276 WeakPolarHBondContact O-CB 3.38Å; I272-S276 PolarHBondContact O-N 3.39Å; L273-S276 PolarHBondContact O-N 3.15Å; F274-S276 VanDerWaalsContact C-N 3.35Å; F274-S276 PolarHBondContact O-N 2.76Å; S276-S280 WeakPolarHBondContact O-CB 3.31Å; S276-S280 PolarHBondContact O-N 3.44Å; S276-S280 PolarHBondContact O-OG 3.27Å
277	C	88.5	Confident	83.8	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.014	30%	0.302	C	S	.	.	H	α-helix	trans	-72.1	-42.8	176.7	-74.1	0	0	0	0	111.6	L273 F274 S275 S280 V281 Q293 L297	L273-C277 WeakPolarHBondContact O-CB 3.39Å; L273-C277 PolarHBondContact O-N 2.85Å; L273-C277 PolarHBondContact O-SG 3.49Å; L273-C277 VanDerWaalsContact O-SG 3.39Å; F274-C277 PolarHBondContact O-N 3.06Å; S275-C277 VanDerWaalsContact C-N 3.34Å; S275-C277 PolarHBondContact O-N 2.62Å; C277-S280 WeakPolarHBondContact O-CB 3.26Å; C277-S280 PolarHBondContact O-N 3.04Å; C277-V281 WeakPolarHBondContact O-CG2 3.37Å; C277-V281 PolarHBondContact O-N 3.41Å; C277-Q293 HydrophobicContact CB-CB 4.1Å; C277-L297 HydrophobicContact CB-CD1 4.19Å; C277-L297 HydrophobicContact CB-CD2 3.72Å; C277-L297 HydrophobicContact CB-CG 3.74Å
278	K	87.5	Confident	81.6	Confident	96 Å²	96	62.4 Å²	62.4	42%	0.417	33%	0.331	S	S	.	.	H	α-helix	trans	-59.1	-50.4	177	-175.1	176.8	174.5	-179.8	0	111.3	F274 S275 S280 V281 E282	F274-K278 HydrophobicContact CE1-CD 4.09Å; F274-K278 WeakPolarHBondContact O-CB 3.38Å; F274-K278 PolarHBondContact O-N 3.25Å; S275-K278 PolarHBondContact O-N 2.77Å; K278-S280 PolarHBondContact O-N 2.84Å; K278-V281 PolarHBondContact O-N 3.07Å; K278-V281 VanDerWaalsContact O-N 3.11Å; K278-E282 WeakPolarHBondContact CE-OE1 3.32Å; K278-E282 HydrophobicContact CG-CG 4.48Å; K278-E282 WeakPolarHBondContact CG-OE1 3.45Å; K278-E282 WeakPolarHBondContact O-CG 3.47Å; K278-E282 PolarHBondContact O-N 3.49Å
279	D	86.9	Confident	79.2	Confident	75 Å²	75	67.5 Å²	67.5	40%	0.401	36%	0.364	S	S	.	.	H	α-helix	trans	-58.5	-35.7	176.5	-74.7	4	0	0	0	112.8	S275 K283	S275-D279 WeakPolarHBondContact O-CB 3.44Å; S275-D279 VanDerWaalsContact O-CG 3.29Å; S275-D279 PolarHBondContact O-N 2.9Å; D279-K283 WeakPolarHBondContact O-CB 3.27Å; D279-K283 WeakPolarHBondContact O-CD 3.4Å; D279-K283 VanDerWaalsContact O-CG 3.23Å; D279-K283 WeakPolarHBondContact O-CG 3.3Å; D279-K283 PolarHBondContact O-N 3.05Å
280	S	84.1	Confident	77.2	Confident	50 Å²	50	71.4 Å²	71.4	35%	0.35	39%	0.388	S	S	.	.	H	α-helix	trans	-71.2	-36.4	179.9	-61.6	0	0	0	0	111.8	S276 C277 K278 S284	S276-S280 WeakPolarHBondContact O-CB 3.31Å; S276-S280 PolarHBondContact O-N 3.44Å; S276-S280 PolarHBondContact O-OG 3.27Å; C277-S280 WeakPolarHBondContact O-CB 3.26Å; C277-S280 PolarHBondContact O-N 3.04Å; K278-S280 PolarHBondContact O-N 2.84Å; S280-S284 PolarHBondContact O-N 2.94Å; S280-S284 PolarHBondContact O-OG 2.93Å
281	V	83.1	Confident	76.1	Confident	36 Å²	36	74.4 Å²	74.4	22%	0.218	41%	0.406	C	S	.	.	H	α-helix	trans	-74.1	-42.7	178.7	169.8	0	0	0	0	110.8	C277 K278 K283 S284 Q293 L297	C277-V281 WeakPolarHBondContact O-CG2 3.37Å; C277-V281 PolarHBondContact O-N 3.41Å; K278-V281 PolarHBondContact O-N 3.07Å; K278-V281 VanDerWaalsContact O-N 3.11Å; V281-K283 VanDerWaalsContact C-N 3.28Å; V281-K283 PolarHBondContact O-N 2.83Å; V281-S284 WeakPolarHBondContact CA-OG 3.47Å; V281-S284 PolarHBondContact O-N 3Å; V281-S284 PolarHBondContact O-OG 2.92Å; V281-Q293 HydrophobicContact CG2-CB 3.99Å; V281-L297 HydrophobicContact CG2-CD1 3.94Å
282	E	83.9	Confident	75.5	Confident	128 Å²	128	75.1 Å²	75.1	60%	0.598	41%	0.409	S	S	*	.	H	α-helix	trans	-66	-30.1	179	-71.6	177	178.6	0	0	112.8	K278	K278-E282 WeakPolarHBondContact CE-OE1 3.32Å; K278-E282 HydrophobicContact CG-CG 4.48Å; K278-E282 WeakPolarHBondContact CG-OE1 3.45Å; K278-E282 WeakPolarHBondContact O-CG 3.47Å; K278-E282 PolarHBondContact O-N 3.49Å
283	K	80.3	Confident	75	Confident	159 Å²	159	76.9 Å²	76.9	69%	0.691	42%	0.417	S	S	*	.	H	α-helix	trans	-80.4	-19.5	177.2	-72.9	171.6	-172.8	164.5	0	113.9	D279 V281 L285	D279-K283 WeakPolarHBondContact O-CB 3.27Å; D279-K283 WeakPolarHBondContact O-CD 3.4Å; D279-K283 VanDerWaalsContact O-CG 3.23Å; D279-K283 WeakPolarHBondContact O-CG 3.3Å; D279-K283 PolarHBondContact O-N 3.05Å; V281-K283 VanDerWaalsContact C-N 3.28Å; V281-K283 PolarHBondContact O-N 2.83Å; K283-L285 PolarHBondContact O-N 3.04Å
284	S	70.2	Confident	74.5	Confident	58 Å²	58	80.1 Å²	80.1	41%	0.406	43%	0.432	S	S	.	.			trans	-79.3	102.7	173.7	37.5	0	0	0	0	109.6	S280 V281 D286	S280-S284 PolarHBondContact O-N 2.94Å; S280-S284 PolarHBondContact O-OG 2.93Å; V281-S284 WeakPolarHBondContact CA-OG 3.47Å; V281-S284 PolarHBondContact O-N 3Å; V281-S284 PolarHBondContact O-OG 2.92Å; S284-D286 PolarHBondContact O-N 2.83Å
285	L	59	Low	74.1	Confident	169 Å²	169	82.3 Å²	82.3	89%	0.885	44%	0.44	S	S	*	.			trans	-70.9	-5.5	179.1	-74.6	154.9	0	0	0	114.2	K283	K283-L285 PolarHBondContact O-N 3.04Å
286	D	54.8	Low	73.9	Confident	137 Å²	137	80.5 Å²	80.5	73%	0.733	43%	0.427	S	S	*	.			trans	-99.5	122.5	-176.4	-71	-32.7	0	0	0	112.5	S284 S288	S284-D286 PolarHBondContact O-N 2.83Å; D286-S288 PolarHBondContact O-N 3.22Å
287	E	47.5	Very low	73.8	Confident	209 Å²	209	80.7 Å²	80.7	98%	0.977	43%	0.426	S	S	*	.			trans	-75.1	28.4	-177.3	-67.1	-174.4	146.8	0	0	115.5
288	S	48.3	Very low	73.7	Confident	89 Å²	89	86.4 Å²	86.4	62%	0.622	46%	0.456	S	S	*	.			trans	-132	156.6	-177.3	76.2	0	0	0	0	113.8	D286	D286-S288 PolarHBondContact O-N 3.22Å
289	P	46.8	Very low	73.6	Confident	108 Å²	108	83.6 Å²	83.6	70%	0.701	45%	0.449	S	S	*	.	S	Bend		-100.6	138.1	-92.6	33.8	-24.3	0	0	0	113.5
290	T	54.2	Low	73.6	Confident	82 Å²	82	80.5 Å²	80.5	50%	0.503	43%	0.432	S	S	.	.			trans	51.9	61	166.1	65.6	0	0	0	0	116	R295	T290-R295 PolarHBondContact OG1-NH2 3.25Å
291	T	71.3	Confident	73.6	Confident	62 Å²	62	81 Å²	81	38%	0.38	44%	0.439	S	S	.	.			trans	-51.1	145.2	165.9	-14.1	0	0	0	0	109.6	Q293 Q294 R295	T291-Q293 PolarHBondContact O-N 3.25Å; T291-Q294 WeakPolarHBondContact O-CA 3.42Å; T291-Q294 WeakPolarHBondContact O-CB 3.27Å; T291-Q294 PolarHBondContact O-N 3.25Å; T291-R295 PolarHBondContact O-N 3.07Å
292	I	78.9	Confident	73.3	Confident	19 Å²	19	87.8 Å²	87.8	10%	0.097	47%	0.474	C	S	.	.	H	α-helix	trans	-52	-36.7	179.8	-65.2	164	0	0	0	110.5	I239 L243 M248 M259 R295 I296	I239-I292 HydrophobicContact CG2-CG1 4.47Å; I239-I292 HydrophobicContact CG2-CG2 3.95Å; L243-I292 HydrophobicContact CD1-CD1 3.9Å; M248-I292 HydrophobicContact CE-CG1 3.86Å; M259-I292 HydrophobicContact CE-CB 4.41Å; M259-I292 HydrophobicContact CE-CD1 4.33Å; M259-I292 HydrophobicContact CE-CG2 3.37Å; M259-I292 HydrophobicContact SD-CG2 4.09Å; I292-R295 PolarHBondContact O-N 3.31Å; I292-I296 HydrophobicContact CG2-CD1 3.9Å; I292-I296 HydrophobicContact CG2-CG1 4.46Å; I292-I296 VanDerWaalsContact O-CG1 3.31Å; I292-I296 WeakPolarHBondContact O-CG1 3.09Å; I292-I296 PolarHBondContact O-N 3.37Å
293	Q	82.9	Confident	72.9	Confident	40 Å²	40	88 Å²	88	19%	0.187	48%	0.484	C	S	.	.	H	α-helix	trans	-59.3	-43.2	174.7	-63.2	86.3	-16	0	0	112.6	C277 V281 T291 R295 I296 L297	C277-Q293 HydrophobicContact CB-CB 4.1Å; V281-Q293 HydrophobicContact CG2-CB 3.99Å; T291-Q293 PolarHBondContact O-N 3.25Å; Q293-R295 VanDerWaalsContact C-N 3.34Å; Q293-R295 PolarHBondContact O-N 2.99Å; Q293-I296 WeakPolarHBondContact O-CB 3.49Å; Q293-I296 PolarHBondContact O-N 3.38Å; Q293-L297 WeakPolarHBondContact O-CG 3.27Å; Q293-L297 PolarHBondContact O-N 2.94Å
294	Q	83.5	Confident	72.9	Confident	69 Å²	69	82 Å²	82	32%	0.322	46%	0.458	S	S	.	.	H	α-helix	trans	-62.6	-42.6	176.4	-160.3	70.4	4.5	0	0	111.3	T291 I296 L297 N298	T291-Q294 WeakPolarHBondContact O-CA 3.42Å; T291-Q294 WeakPolarHBondContact O-CB 3.27Å; T291-Q294 PolarHBondContact O-N 3.25Å; Q294-I296 PolarHBondContact O-N 3.07Å; Q294-L297 PolarHBondContact O-N 2.87Å; Q294-N298 VanDerWaalsContact O-CG 3.23Å; Q294-N298 PolarHBondContact O-N 2.99Å; Q294-N298 PolarHBondContact O-OD1 3.2Å
295	R	84.4	Confident	73.3	Confident	80 Å²	80	83.1 Å²	83.1	30%	0.302	46%	0.459	S	S	.	.	H	α-helix	trans	-64.7	-30	177.2	-65.5	-176.8	175.4	-136.9	-5.8	112.6	I239 M248 T290 T291 I292 Q293	I239-R295 HydrophobicContact CD1-CB 3.8Å; M248-R295 PolarHBondContact SD-NH1 3.39Å; T290-R295 PolarHBondContact OG1-NH2 3.25Å; T291-R295 PolarHBondContact O-N 3.07Å; I292-R295 PolarHBondContact O-N 3.31Å; Q293-R295 VanDerWaalsContact C-N 3.34Å; Q293-R295 PolarHBondContact O-N 2.99Å
296	I	86.1	Confident	74.1	Confident	1 Å²	1	77 Å²	77	1%	0.005	43%	0.429	C	S	.	.	H	α-helix	trans	-74.8	-44	173.8	-67.7	168.3	0	0	0	110.1	V232 I236 I239 C262 L273 I292 Q293 Q294 N298 S299 F300	V232-I296 HydrophobicContact CG1-CG2 4.46Å; I236-I296 HydrophobicContact CG1-CD1 4.11Å; I236-I296 HydrophobicContact CG1-CG1 4.03Å; I239-I296 HydrophobicContact CD1-CG1 4.08Å; C262-I296 HydrophobicContact CB-CD1 4.45Å; L273-I296 HydrophobicContact CD1-CG2 4.43Å; L273-I296 HydrophobicContact CD2-CG2 3.79Å; L273-I296 HydrophobicContact CG-CG2 4.14Å; I292-I296 HydrophobicContact CG2-CD1 3.9Å; I292-I296 HydrophobicContact CG2-CG1 4.46Å; I292-I296 VanDerWaalsContact O-CG1 3.31Å; I292-I296 WeakPolarHBondContact O-CG1 3.09Å; I292-I296 PolarHBondContact O-N 3.37Å; Q293-I296 WeakPolarHBondContact O-CB 3.49Å; Q293-I296 PolarHBondContact O-N 3.38Å; Q294-I296 PolarHBondContact O-N 3.07Å; I296-N298 VanDerWaalsContact C-N 3.29Å; I296-N298 PolarHBondContact O-N 2.76Å; I296-S299 WeakPolarHBondContact O-CB 3.46Å; I296-S299 PolarHBondContact O-N 3.05Å; I296-S299 PolarHBondContact O-OG 2.92Å; I296-F300 HydrophobicContact CG2-CE2 4.34Å; I296-F300 WeakPolarHBondContact O-CD2 3.44Å
297	L	86.8	Confident	74.9	Confident	25 Å²	25	77.2 Å²	77.2	13%	0.131	43%	0.43	C	S	.	.	H	α-helix	trans	-58.3	-41.9	177.3	-73.9	171.8	0	0	0	112	F274 C277 V281 Q293 Q294 S299 F300	F274-L297 HydrophobicContact CD2-CD2 3.74Å; F274-L297 HydrophobicContact CE2-CD2 3.87Å; F274-L297 HydrophobicContact CG-CD2 4.17Å; F274-L297 HydrophobicContact CZ-CD2 4.4Å; C277-L297 HydrophobicContact CB-CD1 4.19Å; C277-L297 HydrophobicContact CB-CD2 3.72Å; C277-L297 HydrophobicContact CB-CG 3.74Å; V281-L297 HydrophobicContact CG2-CD1 3.94Å; Q293-L297 WeakPolarHBondContact O-CG 3.27Å; Q293-L297 PolarHBondContact O-N 2.94Å; Q294-L297 PolarHBondContact O-N 2.87Å; L297-S299 PolarHBondContact O-N 3.18Å; L297-F300 WeakPolarHBondContact O-CB 3.15Å; L297-F300 PolarHBondContact O-N 3.35Å
298	N	86.9	Confident	75.9	Confident	122 Å²	122	73.4 Å²	73.4	65%	0.652	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-4.9	176.8	-63.4	2.5	0	0	0	114.3	Q294 I296	Q294-N298 VanDerWaalsContact O-CG 3.23Å; Q294-N298 PolarHBondContact O-N 2.99Å; Q294-N298 PolarHBondContact O-OD1 3.2Å; I296-N298 VanDerWaalsContact C-N 3.29Å; I296-N298 PolarHBondContact O-N 2.76Å
299	S	84.9	Confident	77.2	Confident	37 Å²	37	71 Å²	71	26%	0.259	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-12.2	173.4	71.2	0	0	0	0	113.7	I296 L297	I296-S299 WeakPolarHBondContact O-CB 3.46Å; I296-S299 PolarHBondContact O-N 3.05Å; I296-S299 PolarHBondContact O-OG 2.92Å; L297-S299 PolarHBondContact O-N 3.18Å
300	F	87.1	Confident	79.1	Confident	10 Å²	10	72.4 Å²	72.4	4%	0.044	39%	0.385	C	S	.	.	S	Bend	trans	-83.4	150.8	170.3	-67.6	-99.4	0	0	0	109.4	L228 V232 P270 L273 F274 I296 L297 Y304	L228-F300 HydrophobicContact CD1-CD1 4.29Å; V232-F300 HydrophobicContact CG1-CE2 3.93Å; V232-F300 HydrophobicContact CG1-CZ 4.08Å; V232-F300 HydrophobicContact CG2-CD1 4.49Å; V232-F300 HydrophobicContact CG2-CD2 4.35Å; V232-F300 HydrophobicContact CG2-CE1 4.23Å; V232-F300 HydrophobicContact CG2-CE2 4.07Å; V232-F300 HydrophobicContact CG2-CZ 4Å; P270-F300 HydrophobicContact CB-CE1 3.77Å; P270-F300 HydrophobicContact CB-CZ 4.3Å; L273-F300 HydrophobicContact CD2-CZ 4.41Å; F274-F300 HydrophobicContact CB-CE1 4.18Å; F274-F300 HydrophobicContact CB-CZ 4.14Å; F274-F300 HydrophobicContact CD2-CB 4.09Å; F274-F300 AromaticContact CD2-CD1 3.91Å; F274-F300 HydrophobicContact CD2-CD1 3.91Å; F274-F300 AromaticContact CD2-CD2 3.89Å; F274-F300 HydrophobicContact CD2-CD2 3.89Å; F274-F300 HydrophobicContact CD2-CE1 4.29Å; F274-F300 HydrophobicContact CD2-CE2 4.28Å; F274-F300 AromaticContact CD2-CG 3.7Å; F274-F300 HydrophobicContact CD2-CG 3.7Å; F274-F300 HydrophobicContact CD2-CZ 4.47Å; F274-F300 HydrophobicContact CE2-CB 4.15Å; F274-F300 HydrophobicContact CE2-CG 4.26Å; I296-F300 HydrophobicContact CG2-CE2 4.34Å; I296-F300 WeakPolarHBondContact O-CD2 3.44Å; L297-F300 WeakPolarHBondContact O-CB 3.15Å; L297-F300 PolarHBondContact O-N 3.35Å; F300-Y304 HydrophobicContact CB-CG 4.45Å; F300-Y304 AromaticContact CD1-CD1 3.79Å; F300-Y304 HydrophobicContact CD1-CD1 3.79Å; F300-Y304 HydrophobicContact CD1-CD2 4.13Å; F300-Y304 AromaticContact CD1-CE1 3.99Å; F300-Y304 HydrophobicContact CD1-CE1 3.99Å; F300-Y304 HydrophobicContact CD1-CE2 4.3Å; F300-Y304 AromaticContact CD1-CG 3.87Å; F300-Y304 HydrophobicContact CD1-CG 3.87Å; F300-Y304 HydrophobicContact CE1-CD1 4.38Å; F300-Y304 HydrophobicContact CE1-CE1 4.12Å
301	A	84	Confident	80.9	Confident	62 Å²	62	69.5 Å²	69.5	51%	0.512	37%	0.367	S	S	.	.			trans	-65.6	147.3	171.6	0	0	0	0	0	110	T303 Y304	A301-T303 PolarHBondContact O-N 2.88Å; A301-Y304 WeakPolarHBondContact O-CB 3.37Å; A301-Y304 PolarHBondContact O-N 3.48Å
302	D	76.6	Confident	81.9	Confident	178 Å²	178	71.7 Å²	71.7	95%	0.952	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.3	178.4	-61.3	-37.3	0	0	0	112.8
303	T	77.3	Confident	82.5	Confident	131 Å²	131	71.9 Å²	71.9	80%	0.804	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	0.2	177.6	54.4	0	0	0	0	114.1	A301 N305	A301-T303 PolarHBondContact O-N 2.88Å; T303-N305 PolarHBondContact O-N 3.32Å
304	Y	80.5	Confident	83.1	Confident	34 Å²	34	70 Å²	70	13%	0.133	37%	0.365	C	S	.	.			trans	-69.1	114.8	-177.7	-173.9	-94.7	0	0	0	110.9	L228 A271 F274 F300 A301 V306	L228-Y304 HydrophobicContact CD2-CD2 4.02Å; L228-Y304 HydrophobicContact CD2-CE2 3.52Å; A271-Y304 VanDerWaalsContact CA-OH 3.26Å; A271-Y304 WeakPolarHBondContact CA-OH 2.85Å; A271-Y304 WeakPolarHBondContact CB-OH 3.48Å; A271-Y304 PolarHBondContact N-OH 2.9Å; F274-Y304 HydrophobicContact CB-CD1 4.45Å; F274-Y304 HydrophobicContact CB-CE1 3.98Å; F274-Y304 HydrophobicContact CD1-CD1 4.46Å; F274-Y304 AromaticContact CD2-CD1 3.73Å; F274-Y304 HydrophobicContact CD2-CD1 3.73Å; F274-Y304 HydrophobicContact CD2-CE1 4.12Å; F274-Y304 HydrophobicContact CE2-CD1 4.01Å; F274-Y304 AromaticContact CG-CD1 3.96Å; F274-Y304 HydrophobicContact CG-CD1 3.96Å; F274-Y304 AromaticContact CG-CE1 3.95Å; F274-Y304 HydrophobicContact CG-CE1 3.95Å; F274-Y304 HydrophobicContact CZ-CD1 4.47Å; F300-Y304 HydrophobicContact CB-CG 4.45Å; F300-Y304 AromaticContact CD1-CD1 3.79Å; F300-Y304 HydrophobicContact CD1-CD1 3.79Å; F300-Y304 HydrophobicContact CD1-CD2 4.13Å; F300-Y304 AromaticContact CD1-CE1 3.99Å; F300-Y304 HydrophobicContact CD1-CE1 3.99Å; F300-Y304 HydrophobicContact CD1-CE2 4.3Å; F300-Y304 AromaticContact CD1-CG 3.87Å; F300-Y304 HydrophobicContact CD1-CG 3.87Å; F300-Y304 HydrophobicContact CE1-CD1 4.38Å; F300-Y304 HydrophobicContact CE1-CE1 4.12Å; A301-Y304 WeakPolarHBondContact O-CB 3.37Å; A301-Y304 PolarHBondContact O-N 3.48Å; Y304-V306 HydrophobicContact CE1-CG2 4.42Å
305	N	77.2	Confident	83.6	Confident	82 Å²	82	66.9 Å²	66.9	44%	0.439	35%	0.351	S	S	.	.			trans	-106.4	134.2	176.8	-168.9	-2.3	0	0	0	111	T303 D307	T303-N305 PolarHBondContact O-N 3.32Å; N305-D307 PolarHBondContact OD1-N 2.91Å
306	V	75.6	Confident	84.1	Confident	41 Å²	41	63 Å²	63	25%	0.248	34%	0.337	C	S	.	.	S	Bend	trans	-76.6	-28.3	178.4	-179.8	0	0	0	0	112	A271 F274 Y304 E308	A271-V306 HydrophobicContact CB-CG1 4.35Å; F274-V306 HydrophobicContact CB-CG2 4.5Å; F274-V306 HydrophobicContact CD1-CG2 3.19Å; F274-V306 HydrophobicContact CE1-CG2 3.59Å; F274-V306 HydrophobicContact CG-CG2 4.1Å; Y304-V306 HydrophobicContact CE1-CG2 4.42Å; V306-E308 VanDerWaalsContact C-N 3.28Å; V306-E308 PolarHBondContact O-N 3.46Å
307	D	71.6	Confident	84.6	Confident	140 Å²	140	63 Å²	63	75%	0.749	34%	0.337	S	S	*	.	S	Bend	trans	-69.8	-27.2	-171	-64.9	-31.1	0	0	0	112.8	N305 T309	N305-D307 PolarHBondContact OD1-N 2.91Å; D307-T309 PolarHBondContact O-N 3.16Å
308	E	68.4	Low	85.1	Confident	130 Å²	130	63.6 Å²	63.6	61%	0.607	34%	0.338	S	S	*	.	S	Bend	trans	-94.7	89.3	172.8	-66	-177.3	178.7	0	0	108.8	V306 R310	V306-E308 VanDerWaalsContact C-N 3.28Å; V306-E308 PolarHBondContact O-N 3.46Å; E308-R310 VanDerWaalsContact C-N 3.28Å; E308-R310 HydrophobicContact CB-CG 4.47Å; E308-R310 WeakPolarHBondContact O-CG 3.5Å; E308-R310 PolarHBondContact O-N 2.81Å
309	T	76.9	Confident	85.5	Confident	37 Å²	37	57.8 Å²	57.8	23%	0.227	31%	0.307	C	S	.	.			trans	-67.3	88.5	174.4	53.4	0	0	0	0	110.2	D307 V348	D307-T309 PolarHBondContact O-N 3.16Å; T309-V348 HydrophobicContact CG2-CG1 4.16Å
310	R	87.2	Confident	86.1	Confident	138 Å²	138	56 Å²	56	52%	0.521	30%	0.295	S	S	.	.			trans	-76.7	128.7	179.8	-63.7	178.5	70.9	159.4	2.8	110.4	H269 E308 E312 D313	H269-R310 PolarHBondContact NE2-O 2.91Å; H269-R310 VanDerWaalsContact NE2-O 3.14Å; E308-R310 VanDerWaalsContact C-N 3.28Å; E308-R310 HydrophobicContact CB-CG 4.47Å; E308-R310 WeakPolarHBondContact O-CG 3.5Å; E308-R310 PolarHBondContact O-N 2.81Å; R310-E312 VanDerWaalsContact C-N 3.25Å; R310-E312 PolarHBondContact O-N 3.2Å; R310-D313 PolarHBondContact O-N 2.78Å
311	V	91.3	Very high	86.5	Confident	22 Å²	22	55.8 Å²	55.8	13%	0.133	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-68.1	-31.4	-176.3	174.5	0	0	0	0	111.1	D313 S314 L317 F318 A321 Y352	V311-D313 VanDerWaalsContact C-N 3.26Å; V311-D313 PolarHBondContact O-N 3.08Å; V311-S314 PolarHBondContact O-N 2.85Å; V311-S314 VanDerWaalsContact O-O 3.1Å; V311-L317 HydrophobicContact CG1-CG 4.39Å; V311-L317 HydrophobicContact CG2-CG 4.48Å; V311-F318 VanDerWaalsContact CG1-CA 3.43Å; V311-F318 HydrophobicContact CG1-CB 4.11Å; V311-F318 HydrophobicContact CG1-CD2 3.98Å; V311-F318 HydrophobicContact CG1-CG 4.43Å; V311-F318 PolarHBondContact O-N 3.3Å; V311-A321 HydrophobicContact CG1-CB 3.54Å; V311-A321 HydrophobicContact CG2-CB 4.41Å; V311-Y352 HydrophobicContact CG2-CD2 3.5Å; V311-Y352 VanDerWaalsContact CG2-CD2 3.5Å; V311-Y352 HydrophobicContact CG2-CE2 3.36Å
312	E	91.2	Very high	87.1	Confident	108 Å²	108	54.8 Å²	54.8	51%	0.505	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-71.8	-20	-177.1	-55.9	75	-159	0	0	113.1	S226 R310 S314 F318	S226-E312 VanDerWaalsContact CB-O 3.28Å; S226-E312 WeakPolarHBondContact CB-O 3.46Å; R310-E312 VanDerWaalsContact C-N 3.25Å; R310-E312 PolarHBondContact O-N 3.2Å; E312-S314 PolarHBondContact O-N 3.49Å; E312-F318 HydrophobicContact CG-CD2 4.47Å
313	D	92.4	Very high	88	Confident	23 Å²	23	46.4 Å²	46.4	12%	0.123	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-71.7	-16.8	-179.4	-70.9	-12.3	0	0	0	112.1	S226 L228 P270 R310 V311	S226-D313 WeakPolarHBondContact CB-O 3.11Å; S226-D313 PolarHBondContact OG-O 3.38Å; L228-D313 HydrophobicContact CD2-CB 4.21Å; P270-D313 WeakPolarHBondContact CD-O 3.12Å; P270-D313 HydrophobicContact CG-CB 4.24Å; P270-D313 WeakPolarHBondContact CG-O 3.3Å; R310-D313 PolarHBondContact O-N 2.78Å; V311-D313 VanDerWaalsContact C-N 3.26Å; V311-D313 PolarHBondContact O-N 3.08Å
314	S	94.9	Very high	88.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.198	C	C	.	.			trans	-131.3	123.7	177.1	175.4	0	0	0	0	111.8	N268 H269 V311 E312 K316 L317 F318	N268-S314 PolarHBondContact O-OG 3.49Å; H269-S314 VanDerWaalsContact CD2-CB 3.48Å; H269-S314 WeakPolarHBondContact CD2-CB 3.29Å; V311-S314 PolarHBondContact O-N 2.85Å; V311-S314 VanDerWaalsContact O-O 3.1Å; E312-S314 PolarHBondContact O-N 3.49Å; S314-K316 PolarHBondContact O-N 3.02Å; S314-K316 PolarHBondContact OG-N 2.91Å; S314-L317 PolarHBondContact O-N 3.12Å; S314-L317 PolarHBondContact OG-N 3.39Å; S314-F318 WeakPolarHBondContact O-CB 3.15Å; S314-F318 PolarHBondContact O-N 3.42Å
315	G	94.5	Very high	89.6	Confident	3 Å²	3	46.7 Å²	46.7	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-57.2	-36.8	174.8	0	0	0	0	0	113	R224 V319	R224-G315 WeakPolarHBondContact O-CA 3.04Å; G315-V319 WeakPolarHBondContact O-CG2 3.32Å; G315-V319 PolarHBondContact O-N 3.44Å; G315-V319 VanDerWaalsContact O-N 3.07Å
316	K	96	Very high	90.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-71.8	-41.9	177.3	-77.8	-163.7	-65.5	175.1	0	112.9	C223 C267 N268 S314 F318 V319 L320 Y411 L441 V443 E448	C223-K316 HydrophobicContact CB-CG 4.19Å; C267-K316 WeakPolarHBondContact O-CE 3.45Å; N268-K316 PolarHBondContact OD1-NZ 3.27Å; S314-K316 PolarHBondContact O-N 3.02Å; S314-K316 PolarHBondContact OG-N 2.91Å; K316-F318 VanDerWaalsContact C-N 3.31Å; K316-V319 PolarHBondContact O-N 3.09Å; K316-L320 VanDerWaalsContact O-CB 3.3Å; K316-L320 WeakPolarHBondContact O-CB 3.09Å; K316-L320 PolarHBondContact O-N 3.44Å; K316-Y411 HydrophobicContact CB-CE1 4.48Å; K316-Y411 HydrophobicContact CB-CE2 4.09Å; K316-Y411 PolarHBondContact NZ-O 2.88Å; K316-L441 HydrophobicContact CD-CB 3.71Å; K316-L441 HydrophobicContact CG-CB 4.06Å; K316-V443 HydrophobicContact CD-CG2 3.88Å; K316-V443 HydrophobicContact CG-CG2 3.77Å; K316-E448 WeakPolarHBondContact CE-OE2 3.21Å; K316-E448 IonicContact NZ-OE1 2.69Å; K316-E448 PolarHBondContact NZ-OE1 3.34Å; K316-E448 IonicContact NZ-OE2 3.1Å; K316-E448 PolarHBondContact NZ-OE2 2.75Å
317	L	96.1	Very high	91.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.9	-37.1	177.1	-172	57.3	0	0	0	110.8	H269 V311 S314 L320 A321 V348 Y352 Y411	H269-L317 VanDerWaalsContact CD2-CD2 3.46Å; H269-L317 WeakPolarHBondContact CD2-CD2 3.02Å; V311-L317 HydrophobicContact CG1-CG 4.39Å; V311-L317 HydrophobicContact CG2-CG 4.48Å; S314-L317 PolarHBondContact O-N 3.12Å; S314-L317 PolarHBondContact OG-N 3.39Å; L317-L320 HydrophobicContact CD1-CD2 4.1Å; L317-L320 PolarHBondContact O-N 3.46Å; L317-A321 VanDerWaalsContact O-CB 3.24Å; L317-A321 WeakPolarHBondContact O-CB 2.95Å; L317-A321 PolarHBondContact O-N 3.05Å; L317-V348 HydrophobicContact CD2-CG1 4.19Å; L317-Y352 HydrophobicContact CD1-CD1 4.39Å; L317-Y352 HydrophobicContact CD1-CG 4.45Å; L317-Y411 PolarHBondContact N-OH 3.43Å
318	F	96	Very high	92.4	Very high	37 Å²	37	41.6 Å²	41.6	16%	0.162	19%	0.185	C	C	.	.	H	α-helix	trans	-60.6	-48.1	173.9	-169.7	-92.1	0	0	0	113.1	V311 E312 S314 K316 A321 N322 F552 V555	V311-F318 VanDerWaalsContact CG1-CA 3.43Å; V311-F318 HydrophobicContact CG1-CB 4.11Å; V311-F318 HydrophobicContact CG1-CD2 3.98Å; V311-F318 HydrophobicContact CG1-CG 4.43Å; V311-F318 PolarHBondContact O-N 3.3Å; E312-F318 HydrophobicContact CG-CD2 4.47Å; S314-F318 WeakPolarHBondContact O-CB 3.15Å; S314-F318 PolarHBondContact O-N 3.42Å; K316-F318 VanDerWaalsContact C-N 3.31Å; F318-A321 PolarHBondContact O-N 3.21Å; F318-N322 WeakPolarHBondContact CD1-ND2 3.16Å; F318-N322 WeakPolarHBondContact CE1-ND2 2.86Å; F318-N322 WeakPolarHBondContact CZ-ND2 3.47Å; F318-N322 PolarHBondContact O-N 3.33Å; F318-N322 VanDerWaalsContact O-N 3.16Å; F318-N322 PolarHBondContact O-ND2 3Å; F318-F552 HydrophobicContact CE1-CB 4.02Å; F318-V555 HydrophobicContact CD1-CB 4.02Å; F318-V555 HydrophobicContact CD1-CG1 4.01Å; F318-V555 HydrophobicContact CD1-CG2 3.75Å; F318-V555 HydrophobicContact CE1-CB 4.3Å; F318-V555 HydrophobicContact CE1-CG2 3.77Å
319	V	96.5	Very high	93.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.4	-42.2	175.7	171.8	0	0	0	0	110.9	V221 C223 G315 K316 L323 L441 F552 V555 V556	V221-V319 HydrophobicContact CG1-CG1 4.2Å; C223-V319 HydrophobicContact CB-CG2 4.22Å; G315-V319 WeakPolarHBondContact O-CG2 3.32Å; G315-V319 PolarHBondContact O-N 3.44Å; G315-V319 VanDerWaalsContact O-N 3.07Å; K316-V319 PolarHBondContact O-N 3.09Å; V319-L323 WeakPolarHBondContact O-CB 3.49Å; V319-L323 PolarHBondContact O-N 2.84Å; V319-L441 HydrophobicContact CG1-CD2 4.1Å; V319-F552 HydrophobicContact CG1-CD2 4.35Å; V319-F552 HydrophobicContact CG1-CE2 4.22Å; V319-F552 HydrophobicContact CG2-CD2 4.3Å; V319-V555 HydrophobicContact CG2-CB 4.49Å; V319-V555 HydrophobicContact CG2-CG1 3.77Å; V319-V556 HydrophobicContact CG1-CG2 4.15Å; V319-V556 HydrophobicContact CG2-CG2 3.64Å
320	L	96.9	Very high	94.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.3	-49.2	176.4	176.8	64.9	0	0	0	111.7	K316 L317 N322 L323 L324 I338 I349 I409 Y411 L441	K316-L320 VanDerWaalsContact O-CB 3.3Å; K316-L320 WeakPolarHBondContact O-CB 3.09Å; K316-L320 PolarHBondContact O-N 3.44Å; L317-L320 HydrophobicContact CD1-CD2 4.1Å; L317-L320 PolarHBondContact O-N 3.46Å; L320-N322 PolarHBondContact O-N 3.38Å; L320-L323 PolarHBondContact O-N 2.79Å; L320-L324 HydrophobicContact CD1-CD1 3.99Å; L320-L324 HydrophobicContact CD1-CD2 4.42Å; L320-L324 HydrophobicContact CD1-CG 3.95Å; L320-L324 HydrophobicContact CG-CD1 4.06Å; L320-L324 HydrophobicContact CG-CG 4.35Å; L320-L324 WeakPolarHBondContact O-CB 3.4Å; L320-L324 VanDerWaalsContact O-CG 3.29Å; L320-L324 WeakPolarHBondContact O-CG 2.87Å; L320-L324 PolarHBondContact O-N 3.23Å; L320-I338 HydrophobicContact CD1-CD1 4.09Å; L320-I338 HydrophobicContact CD2-CD1 4.42Å; L320-I349 HydrophobicContact CD2-CD1 4.07Å; L320-I349 HydrophobicContact CD2-CG1 4.03Å; L320-I349 HydrophobicContact CD2-CG2 4.08Å; L320-I409 HydrophobicContact CD1-CD1 3.47Å; L320-I409 VanDerWaalsContact CD1-CD1 3.47Å; L320-I409 HydrophobicContact CD1-CG2 4.18Å; L320-Y411 HydrophobicContact CB-CE2 4.29Å; L320-Y411 HydrophobicContact CD2-CD2 3.86Å; L320-Y411 HydrophobicContact CD2-CE2 3.75Å; L320-L441 HydrophobicContact CB-CD1 4.28Å
321	A	95.9	Very high	94.8	Very high	6 Å²	6	42.5 Å²	42.5	5%	0.05	19%	0.19	C	C	.	.	H	α-helix	trans	-56.8	-49.9	-179.2	0	0	0	0	0	111.9	V311 L317 F318 L324 R325 Y352	V311-A321 HydrophobicContact CG1-CB 3.54Å; V311-A321 HydrophobicContact CG2-CB 4.41Å; L317-A321 VanDerWaalsContact O-CB 3.24Å; L317-A321 WeakPolarHBondContact O-CB 2.95Å; L317-A321 PolarHBondContact O-N 3.05Å; F318-A321 PolarHBondContact O-N 3.21Å; A321-L324 PolarHBondContact O-N 3.33Å; A321-R325 WeakPolarHBondContact O-CB 3.06Å; A321-R325 PolarHBondContact O-N 2.73Å; A321-Y352 WeakPolarHBondContact CA-OH 3.15Å; A321-Y352 HydrophobicContact CB-CE1 4.01Å; A321-Y352 HydrophobicContact CB-CE2 4.17Å; A321-Y352 WeakPolarHBondContact CB-OH 3.38Å
322	N	95.3	Very high	94.8	Very high	41 Å²	41	44.8 Å²	44.8	22%	0.219	21%	0.206	C	C	.	.	H	α-helix	trans	-69.7	-38.4	179.7	-70	-64.8	0	0	0	112.3	F318 L320 R325 N326 F552	F318-N322 WeakPolarHBondContact CD1-ND2 3.16Å; F318-N322 WeakPolarHBondContact CE1-ND2 2.86Å; F318-N322 WeakPolarHBondContact CZ-ND2 3.47Å; F318-N322 PolarHBondContact O-N 3.33Å; F318-N322 VanDerWaalsContact O-N 3.16Å; F318-N322 PolarHBondContact O-ND2 3Å; L320-N322 PolarHBondContact O-N 3.38Å; N322-R325 PolarHBondContact O-N 3.29Å; N322-N326 WeakPolarHBondContact O-CB 3.34Å; N322-N326 PolarHBondContact O-N 2.94Å; N322-F552 HydrophobicContact CB-CD1 3.38Å; N322-F552 HydrophobicContact CB-CD2 4.47Å; N322-F552 HydrophobicContact CB-CE1 3.25Å; N322-F552 HydrophobicContact CB-CE2 4.37Å; N322-F552 HydrophobicContact CB-CG 4.05Å; N322-F552 HydrophobicContact CB-CZ 3.8Å
323	L	95.8	Very high	94.8	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-59.1	-49.2	174.1	177.6	62.6	0	0	0	111.2	V319 L320 R325 N326 V327 I409 Y439 C548 L549	V319-L323 WeakPolarHBondContact O-CB 3.49Å; V319-L323 PolarHBondContact O-N 2.84Å; L320-L323 PolarHBondContact O-N 2.79Å; L323-R325 VanDerWaalsContact C-N 3.35Å; L323-R325 PolarHBondContact O-N 3.05Å; L323-N326 PolarHBondContact O-N 3.3Å; L323-V327 HydrophobicContact CD1-CG2 4.31Å; L323-V327 VanDerWaalsContact O-CG2 3.29Å; L323-V327 WeakPolarHBondContact O-CG2 3.19Å; L323-V327 PolarHBondContact O-N 3.22Å; L323-I409 HydrophobicContact CD2-CD1 3.66Å; L323-I409 HydrophobicContact CD2-CG1 4.19Å; L323-I409 HydrophobicContact CG-CD1 4.46Å; L323-Y439 HydrophobicContact CD1-CE1 4.16Å; L323-Y439 HydrophobicContact CD2-CD1 4.06Å; L323-Y439 HydrophobicContact CD2-CD2 4.21Å; L323-Y439 HydrophobicContact CD2-CE1 4.32Å; L323-Y439 HydrophobicContact CD2-CE2 4.5Å; L323-Y439 HydrophobicContact CD2-CG 3.99Å; L323-C548 HydrophobicContact CD1-CB 3.61Å; L323-L549 HydrophobicContact CD1-CD2 4.26Å
324	L	96.3	Very high	94.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.3	-41.3	178.2	-69.8	-178.4	0	0	0	112	L320 A321 V327 R328 V336 I338 Y358 F387 L388 I409	L320-L324 HydrophobicContact CD1-CD1 3.99Å; L320-L324 HydrophobicContact CD1-CD2 4.42Å; L320-L324 HydrophobicContact CD1-CG 3.95Å; L320-L324 HydrophobicContact CG-CD1 4.06Å; L320-L324 HydrophobicContact CG-CG 4.35Å; L320-L324 WeakPolarHBondContact O-CB 3.4Å; L320-L324 VanDerWaalsContact O-CG 3.29Å; L320-L324 WeakPolarHBondContact O-CG 2.87Å; L320-L324 PolarHBondContact O-N 3.23Å; A321-L324 PolarHBondContact O-N 3.33Å; L324-V327 PolarHBondContact O-N 3.21Å; L324-R328 VanDerWaalsContact O-CB 3.31Å; L324-R328 WeakPolarHBondContact O-CB 3.17Å; L324-R328 PolarHBondContact O-N 3.41Å; L324-V336 HydrophobicContact CD2-CB 4.34Å; L324-V336 HydrophobicContact CD2-CG1 4.08Å; L324-V336 HydrophobicContact CD2-CG2 4.19Å; L324-I338 HydrophobicContact CD1-CD1 4.1Å; L324-I338 HydrophobicContact CD2-CD1 4.48Å; L324-Y358 HydrophobicContact CB-CE2 4.13Å; L324-Y358 HydrophobicContact CD1-CE2 4.39Å; L324-F387 HydrophobicContact CB-CE1 4.41Å; L324-F387 HydrophobicContact CD2-CE1 4.29Å; L324-F387 HydrophobicContact CD2-CZ 4.23Å; L324-L388 HydrophobicContact CD1-CD1 4.24Å; L324-L388 HydrophobicContact CD1-CD2 4.42Å; L324-L388 HydrophobicContact CD2-CD2 3.77Å; L324-I409 HydrophobicContact CD2-CD1 4.12Å
325	R	95.2	Very high	95	Very high	170 Å²	170	46.5 Å²	46.5	64%	0.642	22%	0.217	S	C	*	.	H	α-helix	trans	-60	-45.9	175.6	-174.6	178.9	-177.1	137.5	1.3	111.6	A321 N322 L323 R328 K329	A321-R325 WeakPolarHBondContact O-CB 3.06Å; A321-R325 PolarHBondContact O-N 2.73Å; N322-R325 PolarHBondContact O-N 3.29Å; L323-R325 VanDerWaalsContact C-N 3.35Å; L323-R325 PolarHBondContact O-N 3.05Å; R325-R328 PolarHBondContact O-N 3.09Å; R325-K329 VanDerWaalsContact O-CB 3.3Å; R325-K329 WeakPolarHBondContact O-CB 3.46Å; R325-K329 PolarHBondContact O-N 3.09Å
326	N	94.6	Very high	95.1	Very high	42 Å²	42	46.3 Å²	46.3	23%	0.225	22%	0.215	C	C	.	.	H	α-helix	trans	-65.8	-43	178.6	-76.3	-10.5	0	0	0	112.1	N322 L323 K329 N330 C548	N322-N326 WeakPolarHBondContact O-CB 3.34Å; N322-N326 PolarHBondContact O-N 2.94Å; L323-N326 PolarHBondContact O-N 3.3Å; N326-K329 PolarHBondContact O-N 3.35Å; N326-N330 VanDerWaalsContact O-CB 3.3Å; N326-N330 WeakPolarHBondContact O-CB 3.29Å; N326-N330 PolarHBondContact O-N 3.08Å; N326-N330 PolarHBondContact O-ND2 3.12Å; N326-C548 HydrophobicContact CB-CB 3.79Å; N326-C548 PolarHBondContact ND2-O 2.95Å
327	V	95.6	Very high	95.1	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-61	-49	174.8	173.6	0	0	0	0	110.2	L323 L324 K329 N330 Y331 V336 F387 C548	L323-V327 HydrophobicContact CD1-CG2 4.31Å; L323-V327 VanDerWaalsContact O-CG2 3.29Å; L323-V327 WeakPolarHBondContact O-CG2 3.19Å; L323-V327 PolarHBondContact O-N 3.22Å; L324-V327 PolarHBondContact O-N 3.21Å; V327-K329 VanDerWaalsContact C-N 3.3Å; V327-K329 PolarHBondContact O-N 3.01Å; V327-N330 PolarHBondContact O-N 2.87Å; V327-Y331 CarbonylContact O-C 3.45Å; V327-Y331 VanDerWaalsContact O-C 3.25Å; V327-Y331 VanDerWaalsContact O-CA 3.31Å; V327-Y331 WeakPolarHBondContact O-CA 3.47Å; V327-Y331 PolarHBondContact O-N 3.05Å; V327-V336 HydrophobicContact CG1-CG2 4Å; V327-F387 HydrophobicContact CB-CZ 4.3Å; V327-F387 HydrophobicContact CG1-CE2 3.85Å; V327-F387 HydrophobicContact CG1-CZ 4.02Å; V327-C548 HydrophobicContact CG2-CB 3.89Å
328	R	94.3	Very high	95.1	Very high	114 Å²	114	46.4 Å²	46.4	43%	0.43	22%	0.216	S	C	.	.	H	α-helix	trans	-63.1	-37.8	-177.6	-174.7	61.5	-177.5	133.6	2.9	112.6	L324 R325 P332 Y358 F387	L324-R328 VanDerWaalsContact O-CB 3.31Å; L324-R328 WeakPolarHBondContact O-CB 3.17Å; L324-R328 PolarHBondContact O-N 3.41Å; R325-R328 PolarHBondContact O-N 3.09Å; R328-P332 PolarHBondContact NH1-O 2.8Å; R328-P332 VanDerWaalsContact NH1-O 3.1Å; R328-Y358 HydrophobicContact CB-CE1 4.42Å; R328-Y358 HydrophobicContact CG-CE1 4.17Å; R328-F387 HydrophobicContact CB-CE1 4.04Å; R328-F387 HydrophobicContact CB-CZ 3.96Å
329	K	94	Very high	95.1	Very high	166 Å²	166	44.7 Å²	44.7	72%	0.722	21%	0.208	S	C	*	.	H	α-helix	trans	-73.1	-48.6	179.4	-174.9	-176.4	177.1	-173.9	0	112.3	R325 N326 V327	R325-K329 VanDerWaalsContact O-CB 3.3Å; R325-K329 WeakPolarHBondContact O-CB 3.46Å; R325-K329 PolarHBondContact O-N 3.09Å; N326-K329 PolarHBondContact O-N 3.35Å; V327-K329 VanDerWaalsContact C-N 3.3Å; V327-K329 PolarHBondContact O-N 3.01Å
330	N	94.4	Very high	95	Very high	88 Å²	88	44.7 Å²	44.7	47%	0.471	21%	0.208	S	C	.	.	H	α-helix	trans	-93.1	-23.9	-168.9	-59.8	-20.9	0	0	0	113	N326 V327	N326-N330 VanDerWaalsContact O-CB 3.3Å; N326-N330 WeakPolarHBondContact O-CB 3.29Å; N326-N330 PolarHBondContact O-N 3.08Å; N326-N330 PolarHBondContact O-ND2 3.12Å; V327-N330 PolarHBondContact O-N 2.87Å
331	Y	94.5	Very high	94.8	Very high	69 Å²	69	45.4 Å²	45.4	27%	0.271	21%	0.212	S	C	.	.			trans	-135.3	64.7	-175.8	-58.6	-82.3	0	0	0	110.9	V327 D333 E334 A546 C548	V327-Y331 CarbonylContact O-C 3.45Å; V327-Y331 VanDerWaalsContact O-C 3.25Å; V327-Y331 VanDerWaalsContact O-CA 3.31Å; V327-Y331 WeakPolarHBondContact O-CA 3.47Å; V327-Y331 PolarHBondContact O-N 3.05Å; Y331-D333 PolarHBondContact O-N 3.42Å; Y331-D333 VanDerWaalsContact O-N 3.09Å; Y331-E334 VanDerWaalsContact CB-OE2 3.29Å; Y331-E334 WeakPolarHBondContact CB-OE2 3.44Å; Y331-E334 PolarHBondContact O-N 2.84Å; Y331-A546 WeakPolarHBondContact OH-CA 3.25Å; Y331-A546 WeakPolarHBondContact OH-CB 3.41Å; Y331-C548 VanDerWaalsContact CE2-SG 3.55Å
332	P	91.3	Very high	94.6	Very high	70 Å²	70	46.9 Å²	46.9	46%	0.455	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-20.6	-170.7	25.7	-35.7	0	0	0	114.6	R328	R328-P332 PolarHBondContact NH1-O 2.8Å; R328-P332 VanDerWaalsContact NH1-O 3.1Å
333	D	91.4	Very high	94.5	Very high	126 Å²	126	48.2 Å²	48.2	67%	0.674	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-9.3	178.8	-60.8	-38.2	0	0	0	113.5	Y331 R434	Y331-D333 PolarHBondContact O-N 3.42Å; Y331-D333 VanDerWaalsContact O-N 3.09Å; D333-R434 PolarHBondContact O-NH1 3.01Å
334	E	94.3	Very high	94.4	Very high	22 Å²	22	51.4 Å²	51.4	10%	0.103	24%	0.242	C	C	.	.			trans	-87.2	136.6	-179	-68	-171.2	150.2	0	0	111.5	Y331 F387 N406 R407 R437	Y331-E334 VanDerWaalsContact CB-OE2 3.29Å; Y331-E334 WeakPolarHBondContact CB-OE2 3.44Å; Y331-E334 PolarHBondContact O-N 2.84Å; E334-F387 WeakPolarHBondContact O-CD2 3.34Å; E334-N406 VanDerWaalsContact CB-OD1 3.28Å; E334-N406 WeakPolarHBondContact CB-OD1 3.38Å; E334-N406 WeakPolarHBondContact CG-OD1 3.41Å; E334-N406 PolarHBondContact OE1-ND2 3.2Å; E334-R407 IonicContact OE1-NH2 3.39Å; E334-R407 IonicContact OE2-CZ 3.33Å; E334-R407 IonicContact OE2-NE 3Å; E334-R407 PolarHBondContact OE2-NE 3.39Å; E334-R407 IonicContact OE2-NH2 2.79Å; E334-R407 PolarHBondContact OE2-NH2 3.43Å; E334-R437 IonicContact OE1-NH1 3.88Å; E334-R437 PolarHBondContact OE1-NH1 2.75Å
335	K	96.1	Very high	94.4	Very high	19 Å²	19	51.5 Å²	51.5	8%	0.083	24%	0.243	C	C	.	.			trans	-106.6	149.1	177.1	-54.9	-175.9	179.4	-171.6	0	110.9	F379 N381 D384 T386 F387 A405 N406 R407	K335-F379 HydrophobicContact CB-CE1 4.48Å; K335-F379 HydrophobicContact CB-CE2 4.01Å; K335-F379 HydrophobicContact CB-CZ 3.65Å; K335-F379 HydrophobicContact CD-CD2 4.13Å; K335-F379 HydrophobicContact CD-CE2 3.75Å; K335-F379 HydrophobicContact CD-CZ 3.97Å; K335-F379 HydrophobicContact CG-CE2 4.4Å; K335-F379 HydrophobicContact CG-CZ 4.43Å; K335-F379 PolarHBondContact NZ-O 3.25Å; K335-N381 PolarHBondContact NZ-O 3.41Å; K335-N381 VanDerWaalsContact NZ-O 3.15Å; K335-D384 WeakPolarHBondContact CE-O 3.41Å; K335-D384 PolarHBondContact NZ-O 2.83Å; K335-D384 IonicContact NZ-OD1 3.45Å; K335-D384 PolarHBondContact NZ-OD1 2.95Å; K335-T386 VanDerWaalsContact CD-O 3.29Å; K335-T386 WeakPolarHBondContact CD-O 3.49Å; K335-T386 WeakPolarHBondContact CE-O 3.4Å; K335-T386 WeakPolarHBondContact CG-O 3.21Å; K335-F387 WeakPolarHBondContact CA-O 3.24Å; K335-A405 HydrophobicContact CB-CB 4.21Å; K335-A405 WeakPolarHBondContact O-CA 3.33Å; K335-A405 WeakPolarHBondContact O-CB 3.39Å; K335-N406 PolarHBondContact O-N 2.89Å; K335-R407 PolarHBondContact O-N 2.91Å
336	V	97	Very high	94.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.3	-174	-171.3	0	0	0	0	110.8	L324 V327 I338 F387 L388 F389 R407 I409	L324-V336 HydrophobicContact CD2-CB 4.34Å; L324-V336 HydrophobicContact CD2-CG1 4.08Å; L324-V336 HydrophobicContact CD2-CG2 4.19Å; V327-V336 HydrophobicContact CG1-CG2 4Å; V336-I338 HydrophobicContact CG1-CG1 4.24Å; V336-F387 HydrophobicContact CG2-CD2 4.44Å; V336-F387 HydrophobicContact CG2-CE2 3.64Å; V336-F387 HydrophobicContact CG2-CZ 3.91Å; V336-F387 PolarHBondContact N-O 3.3Å; V336-L388 HydrophobicContact CB-CD2 3.78Å; V336-L388 HydrophobicContact CG1-CD2 4.48Å; V336-L388 HydrophobicContact CG2-CD2 4.31Å; V336-L388 CarbonylContact O-C 3.55Å; V336-L388 WeakPolarHBondContact O-CA 3.38Å; V336-F389 PolarHBondContact O-N 3.18Å; V336-R407 WeakPolarHBondContact CA-O 3.32Å; V336-R407 HydrophobicContact CB-CB 4.43Å; V336-R407 HydrophobicContact CG1-CB 4.2Å; V336-R407 HydrophobicContact CG2-CB 4.1Å; V336-I409 HydrophobicContact CG1-CD1 3.74Å; V336-I409 HydrophobicContact CG1-CG1 4Å
337	V	96.1	Very high	94.4	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	130.9	166.5	177	0	0	0	0	108.4	F379 F389 L391 L402 A405 R407 L408 I409 V427	V337-F379 HydrophobicContact CG2-CE1 4.2Å; V337-F379 HydrophobicContact CG2-CZ 4.47Å; V337-F389 CarbonylContact C-O 3.56Å; V337-F389 WeakPolarHBondContact CA-O 3.41Å; V337-F389 HydrophobicContact CG2-CB 4.19Å; V337-L391 HydrophobicContact CG1-CB 4.26Å; V337-L391 HydrophobicContact CG1-CD2 4.47Å; V337-L402 HydrophobicContact CG1-CD1 4.24Å; V337-L402 HydrophobicContact CG2-CB 4.23Å; V337-L402 HydrophobicContact CG2-CD1 4.03Å; V337-A405 HydrophobicContact CG2-CB 3.57Å; V337-R407 PolarHBondContact N-O 3.23Å; V337-L408 HydrophobicContact CB-CD1 3.79Å; V337-L408 HydrophobicContact CG1-CD1 3.6Å; V337-L408 CarbonylContact O-C 3.56Å; V337-L408 WeakPolarHBondContact O-CA 3.18Å; V337-I409 PolarHBondContact O-N 3.45Å; V337-V427 HydrophobicContact CB-CG2 4.19Å; V337-V427 HydrophobicContact CG2-CG2 3.91Å
338	I	96.7	Very high	94.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	116.7	173.2	-54.8	173.2	0	0	0	107.6	L320 L324 V336 I349 L388 F389 L390 L391 I409	L320-I338 HydrophobicContact CD1-CD1 4.09Å; L320-I338 HydrophobicContact CD2-CD1 4.42Å; L324-I338 HydrophobicContact CD1-CD1 4.1Å; L324-I338 HydrophobicContact CD2-CD1 4.48Å; V336-I338 HydrophobicContact CG1-CG1 4.24Å; I338-I349 HydrophobicContact CD1-CG2 4.07Å; I338-I349 HydrophobicContact CG2-CD1 4.1Å; I338-L388 HydrophobicContact CD1-CD2 4.45Å; I338-F389 PolarHBondContact N-O 3.38Å; I338-L390 HydrophobicContact CB-CD2 3.84Å; I338-L390 HydrophobicContact CD1-CD2 3.9Å; I338-L390 HydrophobicContact CG1-CD2 4.27Å; I338-L390 HydrophobicContact CG2-CD2 4.5Å; I338-L391 PolarHBondContact O-N 3.43Å; I338-I409 WeakPolarHBondContact CA-O 3.24Å; I338-I409 HydrophobicContact CG1-CB 4.42Å; I338-I409 HydrophobicContact CG1-CD1 4.4Å
339	A	95	Very high	94.4	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	135.7	178.1	0	0	0	0	0	111.2	L391 L408 I409 L410 Y411 A423	A339-L391 VanDerWaalsContact CA-O 3.25Å; A339-L391 WeakPolarHBondContact CA-O 3.42Å; A339-L408 HydrophobicContact CB-CD1 4.28Å; A339-I409 PolarHBondContact N-O 3.05Å; A339-L410 HydrophobicContact CB-CD2 3.85Å; A339-Y411 PolarHBondContact O-N 2.89Å; A339-A423 HydrophobicContact CB-CB 4.37Å
340	S	95.4	Very high	94.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	144	176.3	168.4	0	0	0	0	110.4	F342 T345 L391 S392 T393 D412	S340-F342 VanDerWaalsContact C-N 3.32Å; S340-F342 PolarHBondContact OG-N 3.43Å; S340-F342 VanDerWaalsContact OG-N 3.13Å; S340-F342 PolarHBondContact OG-O 3Å; S340-T345 WeakPolarHBondContact OG-CB 3.43Å; S340-L391 PolarHBondContact N-O 3.45Å; S340-L391 VanDerWaalsContact N-O 3.08Å; S340-S392 WeakPolarHBondContact O-CA 3.25Å; S340-T393 PolarHBondContact O-N 2.78Å; S340-T393 PolarHBondContact O-OG1 3.46Å; S340-D412 PolarHBondContact OG-OD2 3.4Å
341	N	91.5	Very high	94.4	Very high	16 Å²	16	34.2 Å²	34.2	9%	0.086	18%	0.183	C	C	.	.	S	Bend	trans	-74.2	-25.6	175.1	-67.6	-57.7	0	0	0	112.2	T393 D412 D414	N341-T393 WeakPolarHBondContact CA-OG1 3.39Å; N341-T393 PolarHBondContact N-OG1 2.77Å; N341-T393 VanDerWaalsContact OD1-CB 3.24Å; N341-T393 WeakPolarHBondContact OD1-CB 3.42Å; N341-T393 PolarHBondContact OD1-OG1 3.25Å; N341-D412 WeakPolarHBondContact CB-OD1 3.4Å; N341-D412 PolarHBondContact N-OD1 2.88Å; N341-D412 PolarHBondContact ND2-O 2.86Å; N341-D412 PolarHBondContact ND2-OD1 2.72Å; N341-D414 PolarHBondContact ND2-N 3.45Å
342	F	92.8	Very high	94.4	Very high	37 Å²	37	32.1 Å²	32.1	16%	0.162	18%	0.175	C	C	.	.			trans	-109.7	132.6	-176.7	-55.4	-85.2	0	0	0	112.2	R264 S340 E344 T345 L346 D412	R264-F342 HydrophobicContact CB-CE2 4.5Å; R264-F342 HydrophobicContact CB-CZ 4.36Å; R264-F342 VanDerWaalsContact CZ-CZ 3.43Å; S340-F342 VanDerWaalsContact C-N 3.32Å; S340-F342 PolarHBondContact OG-N 3.43Å; S340-F342 VanDerWaalsContact OG-N 3.13Å; S340-F342 PolarHBondContact OG-O 3Å; F342-E344 VanDerWaalsContact C-N 3.35Å; F342-T345 PolarHBondContact O-N 3.45Å; F342-L346 PolarHBondContact O-N 3.18Å; F342-D412 VanDerWaalsContact CD2-OD2 3.25Å; F342-D412 WeakPolarHBondContact CD2-OD2 3.33Å
343	T	93.2	Very high	94.6	Very high	69 Å²	69	28.8 Å²	28.8	42%	0.423	15%	0.153	S	C	.	.	H	α-helix	trans	-69	-32.9	175.7	47.2	0	0	0	0	112.4	T345 L346 N347 D364	T343-T345 VanDerWaalsContact C-N 3.29Å; T343-T345 PolarHBondContact O-N 2.71Å; T343-L346 WeakPolarHBondContact O-CB 3.44Å; T343-L346 PolarHBondContact O-N 3.33Å; T343-L346 VanDerWaalsContact O-N 3.15Å; T343-N347 VanDerWaalsContact O-CG 3.3Å; T343-N347 PolarHBondContact O-N 2.85Å; T343-N347 PolarHBondContact O-OD1 3.01Å; T343-D364 HydrophobicContact CG2-CB 4.47Å
344	E	93.5	Very high	94.7	Very high	68 Å²	68	27.1 Å²	27.1	32%	0.318	15%	0.147	S	C	.	.	H	α-helix	trans	-61.3	-40.3	175.4	-61.4	171.7	149.7	0	0	111.1	K265 I272 F342 N347 V348	K265-E344 VanDerWaalsContact CE-OE2 3.26Å; K265-E344 WeakPolarHBondContact CE-OE2 3.05Å; I272-E344 HydrophobicContact CG2-CB 3.8Å; I272-E344 WeakPolarHBondContact CG2-OE2 3.26Å; F342-E344 VanDerWaalsContact C-N 3.35Å; E344-N347 WeakPolarHBondContact O-CB 3.33Å; E344-N347 PolarHBondContact O-N 3.33Å; E344-N347 VanDerWaalsContact O-N 3.16Å; E344-V348 PolarHBondContact O-N 3.49Å; E344-V348 VanDerWaalsContact O-N 3.16Å
345	T	95.7	Very high	94.6	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-65.1	-39.6	173.9	-56	0	0	0	0	112	N268 I272 S340 F342 T343 N347 V348 I349 Y411	N268-T345 HydrophobicContact CB-CG2 4.13Å; N268-T345 PolarHBondContact ND2-OG1 3.24Å; I272-T345 HydrophobicContact CD1-CG2 4.49Å; I272-T345 WeakPolarHBondContact CD1-OG1 3.48Å; S340-T345 WeakPolarHBondContact OG-CB 3.43Å; F342-T345 PolarHBondContact O-N 3.45Å; T343-T345 VanDerWaalsContact C-N 3.29Å; T343-T345 PolarHBondContact O-N 2.71Å; T345-N347 VanDerWaalsContact C-N 3.27Å; T345-N347 PolarHBondContact O-N 3.34Å; T345-V348 PolarHBondContact O-N 3.17Å; T345-I349 HydrophobicContact CG2-CD1 3.96Å; T345-I349 WeakPolarHBondContact O-CG1 3.41Å; T345-I349 PolarHBondContact O-N 3.33Å; T345-Y411 HydrophobicContact CG2-CD1 3.39Å; T345-Y411 HydrophobicContact CG2-CE1 3.43Å; T345-Y411 VanDerWaalsContact CG2-CE1 3.43Å; T345-Y411 HydrophobicContact CG2-CG 4.31Å
346	L	95.5	Very high	94.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.7	-32.9	173	-65.4	-179.9	0	0	0	112.2	F342 T343 Q350 L390	F342-L346 PolarHBondContact O-N 3.18Å; T343-L346 WeakPolarHBondContact O-CB 3.44Å; T343-L346 PolarHBondContact O-N 3.33Å; T343-L346 VanDerWaalsContact O-N 3.15Å; L346-Q350 WeakPolarHBondContact O-CB 3.45Å; L346-Q350 PolarHBondContact O-N 3.1Å; L346-L390 HydrophobicContact CD2-CB 4.25Å
347	N	94.5	Very high	94.3	Very high	73 Å²	73	35.6 Å²	35.6	39%	0.39	22%	0.224	S	C	.	.	H	α-helix	trans	-63	-49.6	174.6	-61.5	-18.5	0	0	0	110.9	T343 E344 T345 I349 Q350 S351 R362	T343-N347 VanDerWaalsContact O-CG 3.3Å; T343-N347 PolarHBondContact O-N 2.85Å; T343-N347 PolarHBondContact O-OD1 3.01Å; E344-N347 WeakPolarHBondContact O-CB 3.33Å; E344-N347 PolarHBondContact O-N 3.33Å; E344-N347 VanDerWaalsContact O-N 3.16Å; T345-N347 VanDerWaalsContact C-N 3.27Å; T345-N347 PolarHBondContact O-N 3.34Å; N347-I349 PolarHBondContact O-N 3.14Å; N347-Q350 PolarHBondContact O-N 3.41Å; N347-S351 PolarHBondContact O-N 3.47Å; N347-S351 PolarHBondContact O-OG 3.11Å; N347-R362 VanDerWaalsContact OD1-CZ 3.22Å; N347-R362 PolarHBondContact OD1-NH1 3.26Å; N347-R362 PolarHBondContact OD1-NH2 3.38Å
348	V	94.5	Very high	94.3	Very high	17 Å²	17	37.2 Å²	37.2	10%	0.103	23%	0.23	C	C	.	.	H	α-helix	trans	-60.6	-46.5	178.9	174.7	0	0	0	0	111.4	H269 I272 T309 L317 E344 T345 Q350 S351 Y352	H269-V348 HydrophobicContact CB-CG1 4.31Å; I272-V348 HydrophobicContact CD1-CG2 4.06Å; I272-V348 HydrophobicContact CG1-CG2 3.63Å; T309-V348 HydrophobicContact CG2-CG1 4.16Å; L317-V348 HydrophobicContact CD2-CG1 4.19Å; E344-V348 PolarHBondContact O-N 3.49Å; E344-V348 VanDerWaalsContact O-N 3.16Å; T345-V348 PolarHBondContact O-N 3.17Å; V348-Q350 VanDerWaalsContact C-N 3.32Å; V348-Q350 PolarHBondContact O-N 3.47Å; V348-S351 PolarHBondContact O-N 2.68Å; V348-Y352 PolarHBondContact O-N 3.4Å
349	I	95.9	Very high	94.2	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-62.9	-41.2	178.1	-66	169.9	0	0	0	110.6	L320 I338 T345 N347 Y352 C353 L390 Y411	L320-I349 HydrophobicContact CD2-CD1 4.07Å; L320-I349 HydrophobicContact CD2-CG1 4.03Å; L320-I349 HydrophobicContact CD2-CG2 4.08Å; I338-I349 HydrophobicContact CD1-CG2 4.07Å; I338-I349 HydrophobicContact CG2-CD1 4.1Å; T345-I349 HydrophobicContact CG2-CD1 3.96Å; T345-I349 WeakPolarHBondContact O-CG1 3.41Å; T345-I349 PolarHBondContact O-N 3.33Å; N347-I349 PolarHBondContact O-N 3.14Å; I349-Y352 PolarHBondContact O-N 3.04Å; I349-C353 WeakPolarHBondContact O-CB 3.5Å; I349-C353 PolarHBondContact O-N 2.98Å; I349-C353 PolarHBondContact O-SG 3.34Å; I349-L390 HydrophobicContact CG2-CD2 3.95Å; I349-Y411 HydrophobicContact CD1-CD1 4.2Å; I349-Y411 HydrophobicContact CD1-CD2 3.69Å; I349-Y411 HydrophobicContact CD1-CE1 4.42Å; I349-Y411 HydrophobicContact CD1-CE2 3.95Å; I349-Y411 HydrophobicContact CD1-CG 3.82Å; I349-Y411 HydrophobicContact CG1-CE2 4.44Å
350	Q	95.2	Very high	94.3	Very high	62 Å²	62	41.5 Å²	41.5	29%	0.29	26%	0.257	S	S	.	.	H	α-helix	trans	-62.7	-47.1	177.1	-177.9	177.3	-24.3	0	0	111.4	L346 N347 V348 Y352 C353 V354 L360 L390	L346-Q350 WeakPolarHBondContact O-CB 3.45Å; L346-Q350 PolarHBondContact O-N 3.1Å; N347-Q350 PolarHBondContact O-N 3.41Å; V348-Q350 VanDerWaalsContact C-N 3.32Å; V348-Q350 PolarHBondContact O-N 3.47Å; Q350-Y352 VanDerWaalsContact C-N 3.33Å; Q350-Y352 PolarHBondContact O-N 3.23Å; Q350-C353 PolarHBondContact O-N 2.86Å; Q350-V354 HydrophobicContact CG-CG2 4.29Å; Q350-V354 WeakPolarHBondContact O-CB 3.43Å; Q350-V354 VanDerWaalsContact O-CG2 3.31Å; Q350-V354 WeakPolarHBondContact O-CG2 3.35Å; Q350-V354 PolarHBondContact O-N 3.04Å; Q350-L360 HydrophobicContact CG-CD1 4.17Å; Q350-L360 HydrophobicContact CG-CD2 4.14Å; Q350-L390 HydrophobicContact CB-CD1 3.74Å; Q350-L390 HydrophobicContact CG-CD1 4.32Å
351	S	93.5	Very high	94.3	Very high	65 Å²	65	43.7 Å²	43.7	46%	0.455	27%	0.265	S	S	.	.	H	α-helix	trans	-57.1	-46.6	177.4	-63.3	0	0	0	0	111.4	N347 V348 V354 A355	N347-S351 PolarHBondContact O-N 3.47Å; N347-S351 PolarHBondContact O-OG 3.11Å; V348-S351 PolarHBondContact O-N 2.68Å; S351-V354 PolarHBondContact O-N 3.35Å; S351-A355 WeakPolarHBondContact O-CB 3.46Å; S351-A355 PolarHBondContact O-N 2.93Å
352	Y	94	Very high	94.4	Very high	26 Å²	26	45.3 Å²	45.3	10%	0.102	27%	0.27	C	S	.	.	H	α-helix	trans	-59.2	-49.8	174.3	167.5	-103.1	0	0	0	112.2	V311 L317 A321 V348 I349 Q350 V354 A355 V356	V311-Y352 HydrophobicContact CG2-CD2 3.5Å; V311-Y352 VanDerWaalsContact CG2-CD2 3.5Å; V311-Y352 HydrophobicContact CG2-CE2 3.36Å; L317-Y352 HydrophobicContact CD1-CD1 4.39Å; L317-Y352 HydrophobicContact CD1-CG 4.45Å; A321-Y352 WeakPolarHBondContact CA-OH 3.15Å; A321-Y352 HydrophobicContact CB-CE1 4.01Å; A321-Y352 HydrophobicContact CB-CE2 4.17Å; A321-Y352 WeakPolarHBondContact CB-OH 3.38Å; V348-Y352 PolarHBondContact O-N 3.4Å; I349-Y352 PolarHBondContact O-N 3.04Å; Q350-Y352 VanDerWaalsContact C-N 3.33Å; Q350-Y352 PolarHBondContact O-N 3.23Å; Y352-V354 VanDerWaalsContact C-N 3.32Å; Y352-V354 PolarHBondContact O-N 3.31Å; Y352-A355 PolarHBondContact O-N 3.46Å; Y352-V356 HydrophobicContact CD2-CG2 4.08Å; Y352-V356 HydrophobicContact CE1-CG2 4.35Å; Y352-V356 HydrophobicContact CE2-CG2 3.5Å; Y352-V356 VanDerWaalsContact CE2-CG2 3.5Å; Y352-V356 WeakPolarHBondContact O-CG2 3.43Å; Y352-V356 PolarHBondContact O-N 2.87Å
353	C	94.7	Very high	94.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.2	-38.4	-177.4	-67.9	0	0	0	0	112.2	I349 Q350 G357 Y358 L360 L388	I349-C353 WeakPolarHBondContact O-CB 3.5Å; I349-C353 PolarHBondContact O-N 2.98Å; I349-C353 PolarHBondContact O-SG 3.34Å; Q350-C353 PolarHBondContact O-N 2.86Å; C353-G357 PolarHBondContact O-N 2.93Å; C353-G357 VanDerWaalsContact O-N 3.12Å; C353-Y358 HydrophobicContact CB-CD2 4.32Å; C353-Y358 PolarHBondContact O-N 3.22Å; C353-L360 HydrophobicContact CB-CD2 3.59Å; C353-L388 HydrophobicContact CB-CD1 4Å; C353-L388 WeakPolarHBondContact SG-CD1 3.38Å
354	V	93.8	Very high	94.2	Very high	91 Å²	91	40.5 Å²	40.5	55%	0.552	24%	0.243	S	C	*	.	H	α-helix	trans	-66.9	-43.9	175.7	171.5	0	0	0	0	110.8	Q350 S351 Y352 V356 G357 L360	Q350-V354 HydrophobicContact CG-CG2 4.29Å; Q350-V354 WeakPolarHBondContact O-CB 3.43Å; Q350-V354 VanDerWaalsContact O-CG2 3.31Å; Q350-V354 WeakPolarHBondContact O-CG2 3.35Å; Q350-V354 PolarHBondContact O-N 3.04Å; S351-V354 PolarHBondContact O-N 3.35Å; Y352-V354 VanDerWaalsContact C-N 3.32Å; Y352-V354 PolarHBondContact O-N 3.31Å; V354-V356 VanDerWaalsContact C-N 3.27Å; V354-V356 PolarHBondContact O-N 3.06Å; V354-G357 PolarHBondContact O-N 3.37Å; V354-L360 HydrophobicContact CG2-CD2 4.22Å
355	A	92.4	Very high	93.6	Very high	87 Å²	87	40.3 Å²	40.3	72%	0.719	26%	0.26	S	S	*	.	H	α-helix	trans	-61	-35.5	177.9	0	0	0	0	0	112.7	S351 Y352 G357	S351-A355 WeakPolarHBondContact O-CB 3.46Å; S351-A355 PolarHBondContact O-N 2.93Å; Y352-A355 PolarHBondContact O-N 3.46Å; A355-G357 VanDerWaalsContact C-N 3.33Å
356	V	92.7	Very high	93	Very high	69 Å²	69	45.2 Å²	45.2	42%	0.418	29%	0.294	S	S	.	.	H	α-helix	trans	-78.8	-16.5	175.2	178.2	0	0	0	0	112.7	Y352 V354 Y358	Y352-V356 HydrophobicContact CD2-CG2 4.08Å; Y352-V356 HydrophobicContact CE1-CG2 4.35Å; Y352-V356 HydrophobicContact CE2-CG2 3.5Å; Y352-V356 VanDerWaalsContact CE2-CG2 3.5Å; Y352-V356 WeakPolarHBondContact O-CG2 3.43Å; Y352-V356 PolarHBondContact O-N 2.87Å; V354-V356 VanDerWaalsContact C-N 3.27Å; V354-V356 PolarHBondContact O-N 3.06Å; V356-Y358 HydrophobicContact CB-CD2 4.35Å; V356-Y358 HydrophobicContact CB-CE2 4.24Å; V356-Y358 HydrophobicContact CG1-CD1 4.32Å; V356-Y358 HydrophobicContact CG1-CD2 4.18Å; V356-Y358 HydrophobicContact CG1-CE1 3.88Å; V356-Y358 HydrophobicContact CG1-CE2 3.72Å; V356-Y358 HydrophobicContact CG1-CG 4.46Å
357	G	94.1	Very high	92.5	Very high	63 Å²	63	46.1 Å²	46.1	65%	0.649	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	88	24.7	-179.5	0	0	0	0	0	114.8	C353 V354 A355	C353-G357 PolarHBondContact O-N 2.93Å; C353-G357 VanDerWaalsContact O-N 3.12Å; V354-G357 PolarHBondContact O-N 3.37Å; A355-G357 VanDerWaalsContact C-N 3.33Å
358	Y	95.6	Very high	92	Very high	34 Å²	34	46.5 Å²	46.5	13%	0.133	30%	0.302	C	S	.	.			trans	-78.8	134.2	173.9	-64	-35.2	0	0	0	112.1	L324 R328 C353 V356 F387 L388	L324-Y358 HydrophobicContact CB-CE2 4.13Å; L324-Y358 HydrophobicContact CD1-CE2 4.39Å; R328-Y358 HydrophobicContact CB-CE1 4.42Å; R328-Y358 HydrophobicContact CG-CE1 4.17Å; C353-Y358 HydrophobicContact CB-CD2 4.32Å; C353-Y358 PolarHBondContact O-N 3.22Å; V356-Y358 HydrophobicContact CB-CD2 4.35Å; V356-Y358 HydrophobicContact CB-CE2 4.24Å; V356-Y358 HydrophobicContact CG1-CD1 4.32Å; V356-Y358 HydrophobicContact CG1-CD2 4.18Å; V356-Y358 HydrophobicContact CG1-CE1 3.88Å; V356-Y358 HydrophobicContact CG1-CE2 3.72Å; V356-Y358 HydrophobicContact CG1-CG 4.46Å; Y358-F387 AromaticContact CD1-CD1 3.99Å; Y358-F387 HydrophobicContact CD1-CD1 3.99Å; Y358-F387 HydrophobicContact CD1-CE1 4.31Å; Y358-F387 HydrophobicContact CE1-CD1 4.44Å; Y358-F387 HydrophobicContact CE1-CE1 4.33Å; Y358-F387 HydrophobicContact CG-CD1 4.05Å; Y358-F387 HydrophobicContact CG-CE1 4.41Å; Y358-L388 HydrophobicContact CD2-CD1 4Å; Y358-L388 HydrophobicContact CG-CD1 4.27Å
359	S	95.3	Very high	91	Very high	53 Å²	53	50.3 Å²	50.3	37%	0.371	33%	0.327	S	S	.	.			trans	-73.2	129.6	170.6	51.6	0	0	0	0	110.5	R385 T386 F387 L388	S359-R385 PolarHBondContact OG-O 2.87Å; S359-T386 WeakPolarHBondContact OG-CA 3.41Å; S359-F387 PolarHBondContact O-N 3.46Å; S359-F387 PolarHBondContact OG-N 3.47Å; S359-L388 PolarHBondContact O-N 3.09Å
360	L	96.6	Very high	90.1	Very high	38 Å²	38	57.4 Å²	57.4	20%	0.199	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	149.1	-177.3	70.5	91.1	0	0	0	113.8	Q350 C353 V354 R362 L388 L390	Q350-L360 HydrophobicContact CG-CD1 4.17Å; Q350-L360 HydrophobicContact CG-CD2 4.14Å; C353-L360 HydrophobicContact CB-CD2 3.59Å; V354-L360 HydrophobicContact CG2-CD2 4.22Å; L360-R362 HydrophobicContact CD1-CB 4.5Å; L360-L388 CarbonylContact C-O 3.25Å; L360-L388 VanDerWaalsContact CA-O 3.25Å; L360-L388 WeakPolarHBondContact CA-O 3.37Å; L360-L388 HydrophobicContact CB-CB 3.8Å; L360-L390 HydrophobicContact CD1-CD1 4.03Å; L360-L390 HydrophobicContact CD1-CG 4.36Å; L360-L390 HydrophobicContact CD2-CD1 4.43Å
361	Y	95.5	Very high	89.6	Confident	46 Å²	46	56.3 Å²	56.3	18%	0.18	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	156.1	158.7	-70	-66.7	0	0	0	110.4	M375 Q378 F379 T386 L388 F389 L390	Y361-M375 HydrophobicContact CD1-CB 4.18Å; Y361-M375 HydrophobicContact CD1-CG 3.81Å; Y361-M375 HydrophobicContact CD1-SD 3.98Å; Y361-M375 HydrophobicContact CE1-CG 4.08Å; Y361-M375 HydrophobicContact CG-CB 4.42Å; Y361-Q378 HydrophobicContact CE2-CB 4.43Å; Y361-Q378 PolarHBondContact OH-OE1 3.06Å; Y361-F379 HydrophobicContact CD2-CB 4.11Å; Y361-F379 HydrophobicContact CD2-CD2 4.08Å; Y361-F379 HydrophobicContact CE2-CB 4.31Å; Y361-T386 HydrophobicContact CD2-CG2 3.58Å; Y361-T386 HydrophobicContact CE2-CG2 3.74Å; Y361-T386 WeakPolarHBondContact CE2-OG1 3.31Å; Y361-T386 HydrophobicContact CG-CG2 4.39Å; Y361-L388 PolarHBondContact N-O 3.26Å; Y361-F389 HydrophobicContact CD2-CD2 4.31Å; Y361-F389 HydrophobicContact CG-CD2 4.43Å; Y361-L390 PolarHBondContact O-N 3.34Å
362	R	94.2	Very high	89.2	Confident	50 Å²	50	55.1 Å²	55.1	19%	0.189	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.5	173.7	175.5	172.3	169.1	162.5	1	110.6	N347 L360 D364 L390	N347-R362 VanDerWaalsContact OD1-CZ 3.22Å; N347-R362 PolarHBondContact OD1-NH1 3.26Å; N347-R362 PolarHBondContact OD1-NH2 3.38Å; L360-R362 HydrophobicContact CD1-CB 4.5Å; R362-D364 IonicContact CZ-OD2 2.65Å; R362-D364 VanDerWaalsContact CZ-OD2 3.25Å; R362-D364 IonicContact NE-OD2 2.73Å; R362-D364 PolarHBondContact NE-OD2 3.39Å; R362-D364 IonicContact NH2-OD2 3.26Å; R362-D364 PolarHBondContact NH2-OD2 2.82Å; R362-L390 CarbonylContact C-O 3.54Å; R362-L390 WeakPolarHBondContact CA-O 3.5Å; R362-L390 HydrophobicContact CB-CB 4.24Å; R362-L390 HydrophobicContact CG-CB 4.33Å
363	L	91.5	Very high	88.6	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	111.9	174.8	-162.4	161.2	0	0	0	110.6	R372 V376 F389 L390 L391 S392 A395 L400	L363-R372 HydrophobicContact CD1-CB 4.17Å; L363-R372 HydrophobicContact CD1-CG 4.16Å; L363-R372 HydrophobicContact CG-CG 4.28Å; L363-V376 HydrophobicContact CD1-CG2 4.38Å; L363-F389 HydrophobicContact CB-CE1 3.61Å; L363-F389 HydrophobicContact CB-CZ 3.82Å; L363-F389 HydrophobicContact CD1-CE1 4.3Å; L363-F389 HydrophobicContact CD1-CZ 3.93Å; L363-L390 PolarHBondContact N-O 2.88Å; L363-L391 HydrophobicContact CB-CD1 4.22Å; L363-L391 HydrophobicContact CD2-CD1 4.1Å; L363-S392 PolarHBondContact O-N 2.96Å; L363-A395 HydrophobicContact CD2-CB 3.59Å; L363-L400 HydrophobicContact CD1-CD1 3.55Å; L363-L400 HydrophobicContact CD2-CD1 4.14Å; L363-L400 HydrophobicContact CG-CD1 4.49Å
364	D	89.2	Confident	88.3	Confident	5 Å²	5	64 Å²	64	3%	0.027	39%	0.387	C	S	.	.	S	Bend	trans	-139.5	-168.8	177.3	61.7	12	0	0	0	111.4	T343 R362 S366 T367 R372	T343-D364 HydrophobicContact CG2-CB 4.47Å; R362-D364 IonicContact CZ-OD2 2.65Å; R362-D364 VanDerWaalsContact CZ-OD2 3.25Å; R362-D364 IonicContact NE-OD2 2.73Å; R362-D364 PolarHBondContact NE-OD2 3.39Å; R362-D364 IonicContact NH2-OD2 3.26Å; R362-D364 PolarHBondContact NH2-OD2 2.82Å; D364-S366 VanDerWaalsContact C-N 3.32Å; D364-S366 PolarHBondContact O-N 3.21Å; D364-S366 PolarHBondContact OD1-N 3.06Å; D364-S366 PolarHBondContact OD1-OG 3.27Å; D364-S366 PolarHBondContact OD2-OG 3.13Å; D364-T367 PolarHBondContact N-OG1 3.31Å; D364-T367 WeakPolarHBondContact O-CB 3.29Å; D364-T367 PolarHBondContact O-N 3.27Å; D364-T367 PolarHBondContact O-OG1 3.18Å; D364-T367 PolarHBondContact OD1-N 2.86Å; D364-T367 PolarHBondContact OD1-OG1 2.92Å; D364-R372 PolarHBondContact O-NH2 3.1Å
365	G	81.7	Confident	88.2	Confident	64 Å²	64	60.9 Å²	60.9	66%	0.66	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-34.4	-178.3	0	0	0	0	0	114	T367 R372	G365-T367 VanDerWaalsContact C-N 3.33Å; G365-R372 PolarHBondContact O-NH2 3.28Å
366	S	83.6	Confident	88.1	Confident	105 Å²	105	56.9 Å²	56.9	73%	0.734	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-14	-178.3	39.6	0	0	0	0	113.6	D364 N368	D364-S366 VanDerWaalsContact C-N 3.32Å; D364-S366 PolarHBondContact O-N 3.21Å; D364-S366 PolarHBondContact OD1-N 3.06Å; D364-S366 PolarHBondContact OD1-OG 3.27Å; D364-S366 PolarHBondContact OD2-OG 3.13Å; S366-N368 PolarHBondContact O-N 3.17Å
367	T	84.8	Confident	88	Confident	19 Å²	19	57.8 Å²	57.8	12%	0.117	34%	0.336	C	S	.	.	S	Bend	trans	-65.3	127.4	179.4	-54.4	0	0	0	0	111.7	D364 G365 R372 M375	D364-T367 PolarHBondContact N-OG1 3.31Å; D364-T367 WeakPolarHBondContact O-CB 3.29Å; D364-T367 PolarHBondContact O-N 3.27Å; D364-T367 PolarHBondContact O-OG1 3.18Å; D364-T367 PolarHBondContact OD1-N 2.86Å; D364-T367 PolarHBondContact OD1-OG1 2.92Å; G365-T367 VanDerWaalsContact C-N 3.33Å; T367-R372 HydrophobicContact CG2-CG 3.94Å; T367-R372 PolarHBondContact O-NE 2.95Å; T367-R372 PolarHBondContact O-NH2 3.26Å; T367-M375 HydrophobicContact CG2-CE 3.27Å
368	N	82.3	Confident	88	Confident	81 Å²	81	59.3 Å²	59.3	43%	0.433	33%	0.326	S	S	.	.			trans	-54.6	124.4	-179.9	179.7	-13.1	0	0	0	111.8	S366 M370 S371 R372	S366-N368 PolarHBondContact O-N 3.17Å; N368-M370 PolarHBondContact O-N 3.34Å; N368-M370 VanDerWaalsContact O-N 3.1Å; N368-M370 PolarHBondContact OD1-N 3.05Å; N368-S371 PolarHBondContact O-N 3.17Å; N368-S371 PolarHBondContact O-OG 3.06Å; N368-R372 WeakPolarHBondContact O-CG 3.44Å; N368-R372 PolarHBondContact O-N 2.75Å
369	P	74.8	Confident	88	Confident	97 Å²	97	57.7 Å²	57.7	63%	0.63	32%	0.32	S	S	*	.	H	α-helix	trans	-51.3	-35.2	179.3	-28.4	35.3	0	0	0	115.1
370	M	76.6	Confident	87.8	Confident	150 Å²	150	57 Å²	57	74%	0.739	31%	0.312	S	S	*	.	H	α-helix	trans	-72	-28.2	-179.3	-68.9	-173.1	-74.9	0	0	113.4	N368	N368-M370 PolarHBondContact O-N 3.34Å; N368-M370 VanDerWaalsContact O-N 3.1Å; N368-M370 PolarHBondContact OD1-N 3.05Å
371	S	85.2	Confident	87.7	Confident	40 Å²	40	58.9 Å²	58.9	28%	0.28	32%	0.322	S	S	.	.	H	α-helix	trans	-86.9	-20.7	178.8	62.9	0	0	0	0	112.8	N368 Q373 K374 M375	N368-S371 PolarHBondContact O-N 3.17Å; N368-S371 PolarHBondContact O-OG 3.06Å; S371-Q373 PolarHBondContact O-N 3.02Å; S371-K374 PolarHBondContact O-N 3.45Å; S371-K374 VanDerWaalsContact O-N 3.15Å; S371-M375 PolarHBondContact O-N 3.06Å
372	R	84.7	Confident	87.3	Confident	39 Å²	39	62.9 Å²	62.9	15%	0.147	35%	0.351	C	S	.	.	H	α-helix	trans	-52.3	-52.2	-178.5	-68.9	179.9	-168.4	-163.6	-1.6	112.4	L363 D364 G365 T367 N368 K374 M375 V376	L363-R372 HydrophobicContact CD1-CB 4.17Å; L363-R372 HydrophobicContact CD1-CG 4.16Å; L363-R372 HydrophobicContact CG-CG 4.28Å; D364-R372 PolarHBondContact O-NH2 3.1Å; G365-R372 PolarHBondContact O-NH2 3.28Å; T367-R372 HydrophobicContact CG2-CG 3.94Å; T367-R372 PolarHBondContact O-NE 2.95Å; T367-R372 PolarHBondContact O-NH2 3.26Å; N368-R372 WeakPolarHBondContact O-CG 3.44Å; N368-R372 PolarHBondContact O-N 2.75Å; R372-K374 PolarHBondContact O-N 2.97Å; R372-M375 PolarHBondContact O-N 3.41Å; R372-V376 WeakPolarHBondContact O-CG2 3.26Å; R372-V376 PolarHBondContact O-N 3.05Å; R372-V376 VanDerWaalsContact O-N 3.13Å
373	Q	82	Confident	87.2	Confident	69 Å²	69	67 Å²	67	32%	0.322	38%	0.377	S	S	.	.	H	α-helix	trans	-65.6	-40.6	-178.8	-169	60.9	48.8	0	0	111.6	S371 M375 V376 D377	S371-Q373 PolarHBondContact O-N 3.02Å; Q373-M375 VanDerWaalsContact C-N 3.35Å; Q373-M375 PolarHBondContact O-N 3.03Å; Q373-V376 PolarHBondContact O-N 3.49Å; Q373-D377 PolarHBondContact NE2-OD1 2.86Å; Q373-D377 WeakPolarHBondContact O-CB 3.49Å; Q373-D377 PolarHBondContact O-N 3.43Å
374	K	88.2	Confident	87.2	Confident	143 Å²	143	68.7 Å²	68.7	62%	0.622	39%	0.386	S	S	*	.	H	α-helix	trans	-59.4	-44.2	177.7	-64.7	-175.6	178.8	-177.1	0	112	S371 R372 D377 Q378	S371-K374 PolarHBondContact O-N 3.45Å; S371-K374 VanDerWaalsContact O-N 3.15Å; R372-K374 PolarHBondContact O-N 2.97Å; K374-D377 PolarHBondContact O-N 2.89Å; K374-Q378 WeakPolarHBondContact O-CB 3.24Å; K374-Q378 VanDerWaalsContact O-CG 3.26Å; K374-Q378 WeakPolarHBondContact O-CG 3.47Å; K374-Q378 PolarHBondContact O-N 2.93Å
375	M	91.8	Very high	87.2	Confident	27 Å²	27	79.4 Å²	79.4	13%	0.133	43%	0.426	C	S	.	.	H	α-helix	trans	-64.4	-40	177	-72	-177.5	-70.6	0	0	112	Y361 T367 S371 R372 Q373 F379	Y361-M375 HydrophobicContact CD1-CB 4.18Å; Y361-M375 HydrophobicContact CD1-CG 3.81Å; Y361-M375 HydrophobicContact CD1-SD 3.98Å; Y361-M375 HydrophobicContact CE1-CG 4.08Å; Y361-M375 HydrophobicContact CG-CB 4.42Å; T367-M375 HydrophobicContact CG2-CE 3.27Å; S371-M375 PolarHBondContact O-N 3.06Å; R372-M375 PolarHBondContact O-N 3.41Å; Q373-M375 VanDerWaalsContact C-N 3.35Å; Q373-M375 PolarHBondContact O-N 3.03Å; M375-F379 VanDerWaalsContact O-CB 3.28Å; M375-F379 WeakPolarHBondContact O-CB 3.5Å; M375-F379 PolarHBondContact O-N 2.91Å
376	V	90	Very high	87.9	Confident	2 Å²	2	77 Å²	77	1%	0.012	40%	0.399	C	S	.	.	H	α-helix	trans	-64.9	-44.9	176.7	170.8	0	0	0	0	111.3	L363 R372 Q373 F379 N380 F389 L400 N401 L402	L363-V376 HydrophobicContact CD1-CG2 4.38Å; R372-V376 WeakPolarHBondContact O-CG2 3.26Å; R372-V376 PolarHBondContact O-N 3.05Å; R372-V376 VanDerWaalsContact O-N 3.13Å; Q373-V376 PolarHBondContact O-N 3.49Å; V376-F379 PolarHBondContact O-N 3.29Å; V376-N380 WeakPolarHBondContact O-CB 3.36Å; V376-N380 VanDerWaalsContact O-CG 3.28Å; V376-N380 PolarHBondContact O-N 2.91Å; V376-N380 PolarHBondContact O-ND2 3.2Å; V376-N380 VanDerWaalsContact O-ND2 3.16Å; V376-F389 HydrophobicContact CG2-CE2 4.45Å; V376-F389 HydrophobicContact CG2-CZ 4.22Å; V376-L400 HydrophobicContact CG2-CD2 4.25Å; V376-N401 WeakPolarHBondContact CG1-O 3.4Å; V376-L402 HydrophobicContact CG1-CD2 4.27Å; V376-L402 HydrophobicContact CG2-CD2 4.1Å
377	D	90.5	Very high	88.5	Confident	89 Å²	89	72.4 Å²	72.4	48%	0.476	37%	0.365	S	S	.	.	H	α-helix	trans	-65.1	-41.2	179	-63.7	-20.4	0	0	0	111.4	Q373 K374 N380 N381	Q373-D377 PolarHBondContact NE2-OD1 2.86Å; Q373-D377 WeakPolarHBondContact O-CB 3.49Å; Q373-D377 PolarHBondContact O-N 3.43Å; K374-D377 PolarHBondContact O-N 2.89Å; D377-N380 PolarHBondContact O-N 3.48Å; D377-N381 PolarHBondContact O-N 2.85Å
378	Q	94.2	Very high	89.1	Confident	95 Å²	95	71.5 Å²	71.5	44%	0.444	36%	0.36	S	S	.	.	H	α-helix	trans	-62.4	-49.2	174	-76.1	175.9	-16.1	0	0	111.4	Y361 K374 N380 N381 D384	Y361-Q378 HydrophobicContact CE2-CB 4.43Å; Y361-Q378 PolarHBondContact OH-OE1 3.06Å; K374-Q378 WeakPolarHBondContact O-CB 3.24Å; K374-Q378 VanDerWaalsContact O-CG 3.26Å; K374-Q378 WeakPolarHBondContact O-CG 3.47Å; K374-Q378 PolarHBondContact O-N 2.93Å; Q378-N380 VanDerWaalsContact C-N 3.29Å; Q378-N380 PolarHBondContact O-N 3.36Å; Q378-N381 VanDerWaalsContact O-CB 3.22Å; Q378-N381 WeakPolarHBondContact O-CB 3.31Å; Q378-N381 PolarHBondContact O-N 3.46Å; Q378-D384 WeakPolarHBondContact O-CB 3.47Å
379	F	94.6	Very high	89.8	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-63.1	-34.5	-179.7	-175	-105.4	0	0	0	113	K335 V337 Y361 M375 V376 N381 T386 F389 L402 A405	K335-F379 HydrophobicContact CB-CE1 4.48Å; K335-F379 HydrophobicContact CB-CE2 4.01Å; K335-F379 HydrophobicContact CB-CZ 3.65Å; K335-F379 HydrophobicContact CD-CD2 4.13Å; K335-F379 HydrophobicContact CD-CE2 3.75Å; K335-F379 HydrophobicContact CD-CZ 3.97Å; K335-F379 HydrophobicContact CG-CE2 4.4Å; K335-F379 HydrophobicContact CG-CZ 4.43Å; K335-F379 PolarHBondContact NZ-O 3.25Å; V337-F379 HydrophobicContact CG2-CE1 4.2Å; V337-F379 HydrophobicContact CG2-CZ 4.47Å; Y361-F379 HydrophobicContact CD2-CB 4.11Å; Y361-F379 HydrophobicContact CD2-CD2 4.08Å; Y361-F379 HydrophobicContact CE2-CB 4.31Å; M375-F379 VanDerWaalsContact O-CB 3.28Å; M375-F379 WeakPolarHBondContact O-CB 3.5Å; M375-F379 PolarHBondContact O-N 2.91Å; V376-F379 PolarHBondContact O-N 3.29Å; F379-N381 VanDerWaalsContact C-N 3.27Å; F379-N381 PolarHBondContact O-N 2.89Å; F379-T386 HydrophobicContact CD2-CG2 4.39Å; F379-F389 HydrophobicContact CB-CD2 3.9Å; F379-F389 HydrophobicContact CB-CE2 4.23Å; F379-F389 HydrophobicContact CD1-CB 4.3Å; F379-F389 AromaticContact CD1-CD2 3.85Å; F379-F389 HydrophobicContact CD1-CD2 3.85Å; F379-F389 HydrophobicContact CD1-CG 4.39Å; F379-F389 HydrophobicContact CD2-CB 4.16Å; F379-F389 AromaticContact CD2-CD2 3.92Å; F379-F389 HydrophobicContact CD2-CD2 3.92Å; F379-F389 HydrophobicContact CE1-CB 3.91Å; F379-F389 HydrophobicContact CE1-CD2 4.32Å; F379-F389 HydrophobicContact CE1-CG 4.43Å; F379-F389 HydrophobicContact CE2-CB 3.77Å; F379-F389 HydrophobicContact CE2-CD2 4.39Å; F379-F389 HydrophobicContact CG-CB 4.4Å; F379-F389 AromaticContact CG-CD2 3.61Å; F379-F389 HydrophobicContact CG-CD2 3.61Å; F379-F389 HydrophobicContact CG-CE2 4.4Å; F379-F389 HydrophobicContact CG-CG 4.44Å; F379-F389 HydrophobicContact CZ-CB 3.61Å; F379-L402 HydrophobicContact CD1-CD2 4.03Å; F379-A405 HydrophobicContact CE1-CB 3.7Å; F379-A405 HydrophobicContact CZ-CB 3.93Å
380	N	92.9	Very high	90.8	Very high	38 Å²	38	63 Å²	63	20%	0.203	31%	0.309	C	S	.	.	H	α-helix	trans	-74.5	-14.5	174.9	-71.9	-31.4	0	0	0	113.9	V376 D377 Q378 V382 N401 I403 G404	V376-N380 WeakPolarHBondContact O-CB 3.36Å; V376-N380 VanDerWaalsContact O-CG 3.28Å; V376-N380 PolarHBondContact O-N 2.91Å; V376-N380 PolarHBondContact O-ND2 3.2Å; V376-N380 VanDerWaalsContact O-ND2 3.16Å; D377-N380 PolarHBondContact O-N 3.48Å; Q378-N380 VanDerWaalsContact C-N 3.29Å; Q378-N380 PolarHBondContact O-N 3.36Å; N380-V382 PolarHBondContact O-N 2.92Å; N380-N401 PolarHBondContact ND2-O 2.74Å; N380-N401 PolarHBondContact OD1-O 3.4Å; N380-I403 PolarHBondContact OD1-N 3.47Å; N380-G404 PolarHBondContact OD1-N 3.45Å
381	N	93	Very high	91.5	Very high	77 Å²	77	55.9 Å²	55.9	41%	0.412	27%	0.274	S	S	.	.			trans	-70.1	131.8	177.2	-167.6	-24.7	0	0	0	110.1	K335 D377 Q378 F379 N383 D384	K335-N381 PolarHBondContact NZ-O 3.41Å; K335-N381 VanDerWaalsContact NZ-O 3.15Å; D377-N381 PolarHBondContact O-N 2.85Å; Q378-N381 VanDerWaalsContact O-CB 3.22Å; Q378-N381 WeakPolarHBondContact O-CB 3.31Å; Q378-N381 PolarHBondContact O-N 3.46Å; F379-N381 VanDerWaalsContact C-N 3.27Å; F379-N381 PolarHBondContact O-N 2.89Å; N381-N383 PolarHBondContact O-N 2.68Å; N381-N383 WeakPolarHBondContact OD1-CB 3.38Å; N381-N383 PolarHBondContact OD1-N 3.38Å; N381-D384 HydrophobicContact CB-CB 4.2Å; N381-D384 PolarHBondContact O-N 2.78Å
382	V	88.1	Confident	91.8	Very high	130 Å²	130	54.4 Å²	54.4	79%	0.788	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-28.7	177.9	-173.2	0	0	0	0	111.5	N380	N380-V382 PolarHBondContact O-N 2.92Å
383	N	91.3	Very high	91.7	Very high	138 Å²	138	52.9 Å²	52.9	74%	0.738	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-17.7	179.7	-63.3	-19.7	0	0	0	113.3	N381	N381-N383 PolarHBondContact O-N 2.68Å; N381-N383 WeakPolarHBondContact OD1-CB 3.38Å; N381-N383 PolarHBondContact OD1-N 3.38Å
384	D	91.7	Very high	91.4	Very high	34 Å²	34	57.6 Å²	57.6	18%	0.182	28%	0.278	C	S	.	.			trans	-73.9	127.5	176.8	170.2	-98.4	0	0	0	109.9	K335 Q378 N381 T386	K335-D384 WeakPolarHBondContact CE-O 3.41Å; K335-D384 PolarHBondContact NZ-O 2.83Å; K335-D384 IonicContact NZ-OD1 3.45Å; K335-D384 PolarHBondContact NZ-OD1 2.95Å; Q378-D384 WeakPolarHBondContact O-CB 3.47Å; N381-D384 HydrophobicContact CB-CB 4.2Å; N381-D384 PolarHBondContact O-N 2.78Å; D384-T386 VanDerWaalsContact C-N 3.32Å; D384-T386 WeakPolarHBondContact OD1-CB 3.18Å; D384-T386 PolarHBondContact OD1-N 3.37Å; D384-T386 PolarHBondContact OD1-OG1 3.23Å; D384-T386 VanDerWaalsContact OD1-OG1 3.11Å; D384-T386 PolarHBondContact OD2-OG1 3.3Å
385	R	90.1	Very high	90.4	Very high	230 Å²	230	51.1 Å²	51.1	87%	0.868	25%	0.252	S	S	*	.			trans	-93.2	14.9	-178.4	-63	-173.4	178.1	-176.7	-0.6	113	S359 F387	S359-R385 PolarHBondContact OG-O 2.87Å; R385-F387 PolarHBondContact O-N 3.13Å
386	T	95.3	Very high	88.8	Confident	15 Å²	15	49.9 Å²	49.9	9%	0.092	25%	0.245	C	C	.	.			trans	-69.3	123.5	178.9	-54.6	0	0	0	0	109.7	K335 S359 Y361 F379 D384	K335-T386 VanDerWaalsContact CD-O 3.29Å; K335-T386 WeakPolarHBondContact CD-O 3.49Å; K335-T386 WeakPolarHBondContact CE-O 3.4Å; K335-T386 WeakPolarHBondContact CG-O 3.21Å; S359-T386 WeakPolarHBondContact OG-CA 3.41Å; Y361-T386 HydrophobicContact CD2-CG2 3.58Å; Y361-T386 HydrophobicContact CE2-CG2 3.74Å; Y361-T386 WeakPolarHBondContact CE2-OG1 3.31Å; Y361-T386 HydrophobicContact CG-CG2 4.39Å; F379-T386 HydrophobicContact CD2-CG2 4.39Å; D384-T386 VanDerWaalsContact C-N 3.32Å; D384-T386 WeakPolarHBondContact OD1-CB 3.18Å; D384-T386 PolarHBondContact OD1-N 3.37Å; D384-T386 PolarHBondContact OD1-OG1 3.23Å; D384-T386 VanDerWaalsContact OD1-OG1 3.11Å; D384-T386 PolarHBondContact OD2-OG1 3.3Å
387	F	96.7	Very high	87.3	Confident	7 Å²	7	50.6 Å²	50.6	3%	0.031	25%	0.253	C	S	.	.			trans	-82	-42.3	-174.1	177	-139.2	0	0	0	112.1	L324 V327 R328 E334 K335 V336 Y358 S359 R385	L324-F387 HydrophobicContact CB-CE1 4.41Å; L324-F387 HydrophobicContact CD2-CE1 4.29Å; L324-F387 HydrophobicContact CD2-CZ 4.23Å; V327-F387 HydrophobicContact CB-CZ 4.3Å; V327-F387 HydrophobicContact CG1-CE2 3.85Å; V327-F387 HydrophobicContact CG1-CZ 4.02Å; R328-F387 HydrophobicContact CB-CE1 4.04Å; R328-F387 HydrophobicContact CB-CZ 3.96Å; E334-F387 WeakPolarHBondContact O-CD2 3.34Å; K335-F387 WeakPolarHBondContact CA-O 3.24Å; V336-F387 HydrophobicContact CG2-CD2 4.44Å; V336-F387 HydrophobicContact CG2-CE2 3.64Å; V336-F387 HydrophobicContact CG2-CZ 3.91Å; V336-F387 PolarHBondContact N-O 3.3Å; Y358-F387 AromaticContact CD1-CD1 3.99Å; Y358-F387 HydrophobicContact CD1-CD1 3.99Å; Y358-F387 HydrophobicContact CD1-CE1 4.31Å; Y358-F387 HydrophobicContact CE1-CD1 4.44Å; Y358-F387 HydrophobicContact CE1-CE1 4.33Å; Y358-F387 HydrophobicContact CG-CD1 4.05Å; Y358-F387 HydrophobicContact CG-CE1 4.41Å; S359-F387 PolarHBondContact O-N 3.46Å; S359-F387 PolarHBondContact OG-N 3.47Å; R385-F387 PolarHBondContact O-N 3.13Å
388	L	97.5	Very high	86.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	146.8	-169.4	-55.9	178.6	0	0	0	112.9	L324 V336 I338 C353 Y358 S359 L360 Y361	L324-L388 HydrophobicContact CD1-CD1 4.24Å; L324-L388 HydrophobicContact CD1-CD2 4.42Å; L324-L388 HydrophobicContact CD2-CD2 3.77Å; V336-L388 HydrophobicContact CB-CD2 3.78Å; V336-L388 HydrophobicContact CG1-CD2 4.48Å; V336-L388 HydrophobicContact CG2-CD2 4.31Å; V336-L388 CarbonylContact O-C 3.55Å; V336-L388 WeakPolarHBondContact O-CA 3.38Å; I338-L388 HydrophobicContact CD1-CD2 4.45Å; C353-L388 HydrophobicContact CB-CD1 4Å; C353-L388 WeakPolarHBondContact SG-CD1 3.38Å; Y358-L388 HydrophobicContact CD2-CD1 4Å; Y358-L388 HydrophobicContact CG-CD1 4.27Å; S359-L388 PolarHBondContact O-N 3.09Å; L360-L388 CarbonylContact C-O 3.25Å; L360-L388 VanDerWaalsContact CA-O 3.25Å; L360-L388 WeakPolarHBondContact CA-O 3.37Å; L360-L388 HydrophobicContact CB-CB 3.8Å; Y361-L388 PolarHBondContact N-O 3.26Å
389	F	96	Very high	84.8	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	110.7	167.4	-162.6	-70.3	0	0	0	109.8	V336 V337 I338 Y361 L363 V376 F379 L391 L402	V336-F389 PolarHBondContact O-N 3.18Å; V337-F389 CarbonylContact C-O 3.56Å; V337-F389 WeakPolarHBondContact CA-O 3.41Å; V337-F389 HydrophobicContact CG2-CB 4.19Å; I338-F389 PolarHBondContact N-O 3.38Å; Y361-F389 HydrophobicContact CD2-CD2 4.31Å; Y361-F389 HydrophobicContact CG-CD2 4.43Å; L363-F389 HydrophobicContact CB-CE1 3.61Å; L363-F389 HydrophobicContact CB-CZ 3.82Å; L363-F389 HydrophobicContact CD1-CE1 4.3Å; L363-F389 HydrophobicContact CD1-CZ 3.93Å; V376-F389 HydrophobicContact CG2-CE2 4.45Å; V376-F389 HydrophobicContact CG2-CZ 4.22Å; F379-F389 HydrophobicContact CB-CD2 3.9Å; F379-F389 HydrophobicContact CB-CE2 4.23Å; F379-F389 HydrophobicContact CD1-CB 4.3Å; F379-F389 AromaticContact CD1-CD2 3.85Å; F379-F389 HydrophobicContact CD1-CD2 3.85Å; F379-F389 HydrophobicContact CD1-CG 4.39Å; F379-F389 HydrophobicContact CD2-CB 4.16Å; F379-F389 AromaticContact CD2-CD2 3.92Å; F379-F389 HydrophobicContact CD2-CD2 3.92Å; F379-F389 HydrophobicContact CE1-CB 3.91Å; F379-F389 HydrophobicContact CE1-CD2 4.32Å; F379-F389 HydrophobicContact CE1-CG 4.43Å; F379-F389 HydrophobicContact CE2-CB 3.77Å; F379-F389 HydrophobicContact CE2-CD2 4.39Å; F379-F389 HydrophobicContact CG-CB 4.4Å; F379-F389 AromaticContact CG-CD2 3.61Å; F379-F389 HydrophobicContact CG-CD2 3.61Å; F379-F389 HydrophobicContact CG-CE2 4.4Å; F379-F389 HydrophobicContact CG-CG 4.44Å; F379-F389 HydrophobicContact CZ-CB 3.61Å; F389-L391 HydrophobicContact CD1-CB 4.39Å; F389-L391 HydrophobicContact CE1-CD1 4.32Å; F389-L402 HydrophobicContact CD1-CD1 4.12Å; F389-L402 HydrophobicContact CD1-CD2 4.37Å; F389-L402 HydrophobicContact CD2-CD2 4.05Å; F389-L402 HydrophobicContact CE1-CD1 4.21Å; F389-L402 HydrophobicContact CE1-CD2 4.24Å; F389-L402 HydrophobicContact CE2-CD2 3.91Å; F389-L402 HydrophobicContact CG-CD2 4.29Å; F389-L402 HydrophobicContact CZ-CD2 4.01Å
390	L	95.9	Very high	84.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	124.3	177.3	-56.6	-173.3	0	0	0	109.7	I338 L346 I349 Q350 L360 Y361 R362 L363	I338-L390 HydrophobicContact CB-CD2 3.84Å; I338-L390 HydrophobicContact CD1-CD2 3.9Å; I338-L390 HydrophobicContact CG1-CD2 4.27Å; I338-L390 HydrophobicContact CG2-CD2 4.5Å; L346-L390 HydrophobicContact CD2-CB 4.25Å; I349-L390 HydrophobicContact CG2-CD2 3.95Å; Q350-L390 HydrophobicContact CB-CD1 3.74Å; Q350-L390 HydrophobicContact CG-CD1 4.32Å; L360-L390 HydrophobicContact CD1-CD1 4.03Å; L360-L390 HydrophobicContact CD1-CG 4.36Å; L360-L390 HydrophobicContact CD2-CD1 4.43Å; Y361-L390 PolarHBondContact O-N 3.34Å; R362-L390 CarbonylContact C-O 3.54Å; R362-L390 WeakPolarHBondContact CA-O 3.5Å; R362-L390 HydrophobicContact CB-CB 4.24Å; R362-L390 HydrophobicContact CG-CB 4.33Å; L363-L390 PolarHBondContact N-O 2.88Å
391	L	93.1	Very high	83.7	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.3	-175.1	-176.8	67	0	0	0	110.8	V337 I338 A339 S340 L363 F389 L400 L402	V337-L391 HydrophobicContact CG1-CB 4.26Å; V337-L391 HydrophobicContact CG1-CD2 4.47Å; I338-L391 PolarHBondContact O-N 3.43Å; A339-L391 VanDerWaalsContact CA-O 3.25Å; A339-L391 WeakPolarHBondContact CA-O 3.42Å; S340-L391 PolarHBondContact N-O 3.45Å; S340-L391 VanDerWaalsContact N-O 3.08Å; L363-L391 HydrophobicContact CB-CD1 4.22Å; L363-L391 HydrophobicContact CD2-CD1 4.1Å; F389-L391 HydrophobicContact CD1-CB 4.39Å; F389-L391 HydrophobicContact CE1-CD1 4.32Å; L391-L400 HydrophobicContact CD1-CD1 4.23Å; L391-L402 HydrophobicContact CD2-CD1 4.17Å
392	S	91.3	Very high	83.6	Confident	9 Å²	9	41.2 Å²	41.2	6%	0.063	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	128.8	162.3	167.9	0	0	0	0	109.3	S340 L363 K394 A395 G396	S340-S392 WeakPolarHBondContact O-CA 3.25Å; L363-S392 PolarHBondContact O-N 2.96Å; S392-K394 PolarHBondContact O-N 2.73Å; S392-K394 VanDerWaalsContact O-N 3.12Å; S392-K394 PolarHBondContact OG-N 2.92Å; S392-A395 CarbonylContact O-C 3.58Å; S392-A395 WeakPolarHBondContact O-CA 3.49Å; S392-A395 PolarHBondContact O-N 2.77Å; S392-G396 PolarHBondContact O-N 2.87Å
393	T	82.5	Confident	83.8	Confident	7 Å²	7	37.1 Å²	37.1	4%	0.043	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-36.5	179.5	-15.3	0	0	0	0	111.9	S340 N341 G396 G397 A423	S340-T393 PolarHBondContact O-N 2.78Å; S340-T393 PolarHBondContact O-OG1 3.46Å; N341-T393 WeakPolarHBondContact CA-OG1 3.39Å; N341-T393 PolarHBondContact N-OG1 2.77Å; N341-T393 VanDerWaalsContact OD1-CB 3.24Å; N341-T393 WeakPolarHBondContact OD1-CB 3.42Å; N341-T393 PolarHBondContact OD1-OG1 3.25Å; T393-G396 WeakPolarHBondContact O-CA 3.28Å; T393-G396 PolarHBondContact O-N 3.45Å; T393-G397 PolarHBondContact O-N 3.45Å; T393-A423 HydrophobicContact CG2-CB 3.75Å
394	K	74.4	Confident	83.8	Confident	167 Å²	167	31.6 Å²	31.6	73%	0.726	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-40.5	175.2	-66.4	-177.6	-179	175	0	112.5	S392 G396 G397	S392-K394 PolarHBondContact O-N 2.73Å; S392-K394 VanDerWaalsContact O-N 3.12Å; S392-K394 PolarHBondContact OG-N 2.92Å; K394-G396 PolarHBondContact O-N 2.82Å; K394-G397 PolarHBondContact O-N 3.34Å
395	A	67.5	Low	84	Confident	8 Å²	8	30 Å²	30	7%	0.066	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-72.6	-20.8	172.8	0	0	0	0	0	112.4	L363 S392 G397 L398	L363-A395 HydrophobicContact CD2-CB 3.59Å; S392-A395 CarbonylContact O-C 3.58Å; S392-A395 WeakPolarHBondContact O-CA 3.49Å; S392-A395 PolarHBondContact O-N 2.77Å; A395-G397 PolarHBondContact O-N 2.89Å; A395-L398 WeakPolarHBondContact O-CB 3.37Å; A395-L398 WeakPolarHBondContact O-CD1 3.49Å; A395-L398 WeakPolarHBondContact O-CG 3.5Å; A395-L398 PolarHBondContact O-N 3.43Å
396	G	57.9	Low	84.2	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-67.9	-17	169.8	0	0	0	0	0	113.8	S392 T393 K394 L398 R426	S392-G396 PolarHBondContact O-N 2.87Å; T393-G396 WeakPolarHBondContact O-CA 3.28Å; T393-G396 PolarHBondContact O-N 3.45Å; K394-G396 PolarHBondContact O-N 2.82Å; G396-L398 PolarHBondContact O-N 3.19Å; G396-L398 VanDerWaalsContact O-N 3.07Å; G396-R426 PolarHBondContact O-NE 3.18Å; G396-R426 PolarHBondContact O-NH2 2.87Å; G396-R426 VanDerWaalsContact O-NH2 3.13Å
397	G	60.1	Low	84.3	Confident	17 Å²	17	18.5 Å²	18.5	18%	0.175	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-63.2	-12.2	174.2	0	0	0	0	0	114.2	T393 K394 A395 G399 R426	T393-G397 PolarHBondContact O-N 3.45Å; K394-G397 PolarHBondContact O-N 3.34Å; A395-G397 PolarHBondContact O-N 2.89Å; G397-G399 VanDerWaalsContact C-N 3.26Å; G397-G399 PolarHBondContact O-N 3.16Å; G397-R426 PolarHBondContact O-NH2 3.27Å
398	L	63.5	Low	84.2	Confident	20 Å²	20	18.2 Å²	18.2	11%	0.105	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-80.1	19.1	-166.3	-59.4	-176	0	0	0	116.8	S36 L37 A395 G396 L400	S36-L398 WeakPolarHBondContact OG-CD2 3.41Å; L37-L398 HydrophobicContact CD2-CB 4.41Å; L37-L398 WeakPolarHBondContact CD2-O 3.11Å; A395-L398 WeakPolarHBondContact O-CB 3.37Å; A395-L398 WeakPolarHBondContact O-CD1 3.49Å; A395-L398 WeakPolarHBondContact O-CG 3.5Å; A395-L398 PolarHBondContact O-N 3.43Å; G396-L398 PolarHBondContact O-N 3.19Å; G396-L398 VanDerWaalsContact O-N 3.07Å; L398-L400 HydrophobicContact CB-CD2 4.41Å; L398-L400 HydrophobicContact CB-CG 4.19Å; L398-L400 PolarHBondContact O-N 3.13Å
399	G	67.2	Low	84.2	Confident	16 Å²	16	18.3 Å²	18.3	17%	0.165	11%	0.105	C	C	.	.			trans	78.9	2.2	176.2	0	0	0	0	0	114.7	G397 R426	G397-G399 VanDerWaalsContact C-N 3.26Å; G397-G399 PolarHBondContact O-N 3.16Å; G399-R426 PolarHBondContact O-NH1 2.76Å
400	L	79.3	Confident	84.2	Confident	14 Å²	14	18.4 Å²	18.4	7%	0.073	11%	0.105	C	C	.	.			trans	-57.5	151.2	-173.2	-53.4	175	0	0	0	112.7	L363 V376 L391 L398 R426	L363-L400 HydrophobicContact CD1-CD1 3.55Å; L363-L400 HydrophobicContact CD2-CD1 4.14Å; L363-L400 HydrophobicContact CG-CD1 4.49Å; V376-L400 HydrophobicContact CG2-CD2 4.25Å; L391-L400 HydrophobicContact CD1-CD1 4.23Å; L398-L400 HydrophobicContact CB-CD2 4.41Å; L398-L400 HydrophobicContact CB-CG 4.19Å; L398-L400 PolarHBondContact O-N 3.13Å; L400-R426 WeakPolarHBondContact O-CD 3.1Å; L400-R426 PolarHBondContact O-NH1 2.95Å
401	N	85.6	Confident	84.3	Confident	53 Å²	53	18.5 Å²	18.5	28%	0.283	11%	0.106	S	C	.	.			trans	-117.4	108.8	176.7	-165.3	27.9	0	0	0	108.9	V376 N380 I403 R429	V376-N401 WeakPolarHBondContact CG1-O 3.4Å; N380-N401 PolarHBondContact ND2-O 2.74Å; N380-N401 PolarHBondContact OD1-O 3.4Å; N401-I403 WeakPolarHBondContact OD1-CG2 3.34Å; N401-R429 WeakPolarHBondContact OD1-CD 3.43Å
402	L	90.8	Very high	84.3	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.106	C	C	.	.			trans	-115.5	43.5	-177.1	-65.3	172.9	0	0	0	110.5	V337 V376 F379 F389 L391 G404 A405 R426 V427	V337-L402 HydrophobicContact CG1-CD1 4.24Å; V337-L402 HydrophobicContact CG2-CB 4.23Å; V337-L402 HydrophobicContact CG2-CD1 4.03Å; V376-L402 HydrophobicContact CG1-CD2 4.27Å; V376-L402 HydrophobicContact CG2-CD2 4.1Å; F379-L402 HydrophobicContact CD1-CD2 4.03Å; F389-L402 HydrophobicContact CD1-CD1 4.12Å; F389-L402 HydrophobicContact CD1-CD2 4.37Å; F389-L402 HydrophobicContact CD2-CD2 4.05Å; F389-L402 HydrophobicContact CE1-CD1 4.21Å; F389-L402 HydrophobicContact CE1-CD2 4.24Å; F389-L402 HydrophobicContact CE2-CD2 3.91Å; F389-L402 HydrophobicContact CG-CD2 4.29Å; F389-L402 HydrophobicContact CZ-CD2 4.01Å; L391-L402 HydrophobicContact CD2-CD1 4.17Å; L402-G404 PolarHBondContact O-N 3.04Å; L402-A405 PolarHBondContact O-N 3.03Å; L402-R426 CarbonylContact C-O 3.57Å; L402-R426 WeakPolarHBondContact CA-O 3.34Å; L402-R426 HydrophobicContact CD1-CB 4.37Å; L402-R426 PolarHBondContact N-O 2.87Å; L402-V427 HydrophobicContact CB-CG2 4.43Å
403	I	91.6	Very high	84.4	Confident	43 Å²	43	18.3 Å²	18.3	22%	0.221	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-14.2	-178.6	53	165.4	0	0	0	113.7	N380 N401 A405 R429 Q432	N380-I403 PolarHBondContact OD1-N 3.47Å; N401-I403 WeakPolarHBondContact OD1-CG2 3.34Å; I403-A405 PolarHBondContact O-N 3.38Å; I403-R429 HydrophobicContact CG2-CG 4.39Å; I403-Q432 HydrophobicContact CG2-CB 4.36Å; I403-Q432 PolarHBondContact O-NE2 3.15Å
404	G	92.5	Very high	84.6	Confident	23 Å²	23	19.4 Å²	19.4	24%	0.237	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-24	171.3	0	0	0	0	0	113.3	N380 L402	N380-G404 PolarHBondContact OD1-N 3.45Å; L402-G404 PolarHBondContact O-N 3.04Å
405	A	95.1	Very high	85	Confident	1 Å²	1	14.9 Å²	14.9	1%	0.008	9%	0.088	C	C	.	.			trans	-89.7	151.2	168.9	0	0	0	0	0	111.5	K335 V337 F379 L402 I403 V427 Q432	K335-A405 HydrophobicContact CB-CB 4.21Å; K335-A405 WeakPolarHBondContact O-CA 3.33Å; K335-A405 WeakPolarHBondContact O-CB 3.39Å; V337-A405 HydrophobicContact CG2-CB 3.57Å; F379-A405 HydrophobicContact CE1-CB 3.7Å; F379-A405 HydrophobicContact CZ-CB 3.93Å; L402-A405 PolarHBondContact O-N 3.03Å; I403-A405 PolarHBondContact O-N 3.38Å; A405-V427 HydrophobicContact CB-CG1 4.35Å; A405-V427 VanDerWaalsContact O-CG1 3.24Å; A405-V427 WeakPolarHBondContact O-CG1 3.46Å; A405-Q432 PolarHBondContact O-NE2 3.25Å
406	N	94.7	Very high	85.4	Confident	1 Å²	1	15.9 Å²	15.9	1%	0.005	9%	0.092	C	C	.	.			trans	-126.5	-0.4	171.6	71.8	-58.8	0	0	0	112.6	E334 K335 R434 V435 C436 R437	E334-N406 VanDerWaalsContact CB-OD1 3.28Å; E334-N406 WeakPolarHBondContact CB-OD1 3.38Å; E334-N406 WeakPolarHBondContact CG-OD1 3.41Å; E334-N406 PolarHBondContact OE1-ND2 3.2Å; K335-N406 PolarHBondContact O-N 2.89Å; N406-R434 HydrophobicContact CB-CB 3.76Å; N406-V435 PolarHBondContact ND2-O 2.84Å; N406-C436 CarbonylContact O-C 3.58Å; N406-C436 VanDerWaalsContact O-CA 3.25Å; N406-C436 WeakPolarHBondContact O-CA 3.48Å; N406-R437 PolarHBondContact O-N 2.74Å
407	R	96.4	Very high	86.4	Confident	1 Å²	1	16.8 Å²	16.8	0%	0.004	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.3	169.9	-59.6	-171	-176.2	-107.5	-3.2	110.6	E334 K335 V336 V337 R437 Y439 A546	E334-R407 IonicContact OE1-NH2 3.39Å; E334-R407 IonicContact OE2-CZ 3.33Å; E334-R407 IonicContact OE2-NE 3Å; E334-R407 PolarHBondContact OE2-NE 3.39Å; E334-R407 IonicContact OE2-NH2 2.79Å; E334-R407 PolarHBondContact OE2-NH2 3.43Å; K335-R407 PolarHBondContact O-N 2.91Å; V336-R407 WeakPolarHBondContact CA-O 3.32Å; V336-R407 HydrophobicContact CB-CB 4.43Å; V336-R407 HydrophobicContact CG1-CB 4.2Å; V336-R407 HydrophobicContact CG2-CB 4.1Å; V337-R407 PolarHBondContact N-O 3.23Å; R407-R437 CarbonylContact C-O 3.59Å; R407-R437 VanDerWaalsContact CA-O 3.31Å; R407-R437 WeakPolarHBondContact CA-O 3.16Å; R407-R437 HydrophobicContact CG-CB 4.38Å; R407-R437 VanDerWaalsContact NH1-CD 3.32Å; R407-Y439 HydrophobicContact CB-CE2 4.37Å; R407-Y439 PolarHBondContact NH1-OH 3.04Å; R407-A546 VanDerWaalsContact CZ-O 3.29Å; R407-A546 PolarHBondContact NH1-O 3.39Å; R407-A546 PolarHBondContact NH2-O 3.32Å
408	L	95.8	Very high	87.2	Confident	1 Å²	1	16.9 Å²	16.9	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127.2	174.5	174.8	65.2	0	0	0	109.7	V337 A339 L410 M424 V427 R437 I438 Y439	V337-L408 HydrophobicContact CB-CD1 3.79Å; V337-L408 HydrophobicContact CG1-CD1 3.6Å; V337-L408 CarbonylContact O-C 3.56Å; V337-L408 WeakPolarHBondContact O-CA 3.18Å; A339-L408 HydrophobicContact CB-CD1 4.28Å; L408-L410 HydrophobicContact CD1-CD2 4.32Å; L408-L410 HydrophobicContact CD2-CD2 4.05Å; L408-L410 HydrophobicContact CG-CD2 4.15Å; L408-M424 VanDerWaalsContact CD2-CA 3.42Å; L408-M424 HydrophobicContact CD2-CB 4.09Å; L408-V427 HydrophobicContact CB-CG2 4.26Å; L408-V427 HydrophobicContact CD1-CG2 4.39Å; L408-R437 PolarHBondContact N-O 3.09Å; L408-I438 HydrophobicContact CB-CG1 4.42Å; L408-I438 HydrophobicContact CD2-CG2 4.37Å; L408-I438 CarbonylContact O-C 3.59Å; L408-I438 VanDerWaalsContact O-CA 3.32Å; L408-I438 WeakPolarHBondContact O-CA 3.31Å; L408-Y439 PolarHBondContact O-N 2.82Å
409	I	97.1	Very high	87.9	Confident	2 Å²	2	17.7 Å²	17.7	1%	0.01	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	113.6	174	-55.7	173.4	0	0	0	108	L320 L323 L324 V336 V337 I338 A339 Y411 Y439 L441	L320-I409 HydrophobicContact CD1-CD1 3.47Å; L320-I409 VanDerWaalsContact CD1-CD1 3.47Å; L320-I409 HydrophobicContact CD1-CG2 4.18Å; L323-I409 HydrophobicContact CD2-CD1 3.66Å; L323-I409 HydrophobicContact CD2-CG1 4.19Å; L323-I409 HydrophobicContact CG-CD1 4.46Å; L324-I409 HydrophobicContact CD2-CD1 4.12Å; V336-I409 HydrophobicContact CG1-CD1 3.74Å; V336-I409 HydrophobicContact CG1-CG1 4Å; V337-I409 PolarHBondContact O-N 3.45Å; I338-I409 WeakPolarHBondContact CA-O 3.24Å; I338-I409 HydrophobicContact CG1-CB 4.42Å; I338-I409 HydrophobicContact CG1-CD1 4.4Å; A339-I409 PolarHBondContact N-O 3.05Å; I409-Y411 PolarHBondContact O-N 3.34Å; I409-Y439 CarbonylContact C-O 3.49Å; I409-Y439 WeakPolarHBondContact CA-O 3.22Å; I409-Y439 HydrophobicContact CG1-CD2 3.91Å; I409-Y439 HydrophobicContact CG1-CG 4.39Å; I409-L441 HydrophobicContact CG2-CD1 3.95Å; I409-L441 HydrophobicContact CG2-CG 4.05Å
410	L	95.9	Very high	88.7	Confident	3 Å²	3	17.1 Å²	17.1	2%	0.016	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	99.7	165.9	-57.9	-176	0	0	0	107	A339 L408 D420 A423 Y439 R440 L441	A339-L410 HydrophobicContact CB-CD2 3.85Å; L408-L410 HydrophobicContact CD1-CD2 4.32Å; L408-L410 HydrophobicContact CD2-CD2 4.05Å; L408-L410 HydrophobicContact CG-CD2 4.15Å; L410-D420 HydrophobicContact CD1-CB 3.9Å; L410-A423 HydrophobicContact CD2-CB 4.13Å; L410-Y439 PolarHBondContact N-O 3.31Å; L410-R440 HydrophobicContact CB-CG 4.36Å; L410-R440 HydrophobicContact CD1-CG 4.03Å; L410-L441 PolarHBondContact O-N 2.98Å
411	Y	97.3	Very high	88.8	Confident	2 Å²	2	21.3 Å²	21.3	1%	0.008	11%	0.113	C	C	.	.			trans	-72	-32.9	-174.5	-170.8	-90.5	0	0	0	112.4	N268 K316 L317 L320 A339 T345 I349 I409 L441	N268-Y411 HydrophobicContact CB-CE1 3.98Å; N268-Y411 PolarHBondContact O-OH 3.23Å; K316-Y411 HydrophobicContact CB-CE1 4.48Å; K316-Y411 HydrophobicContact CB-CE2 4.09Å; K316-Y411 PolarHBondContact NZ-O 2.88Å; L317-Y411 PolarHBondContact N-OH 3.43Å; L320-Y411 HydrophobicContact CB-CE2 4.29Å; L320-Y411 HydrophobicContact CD2-CD2 3.86Å; L320-Y411 HydrophobicContact CD2-CE2 3.75Å; A339-Y411 PolarHBondContact O-N 2.89Å; T345-Y411 HydrophobicContact CG2-CD1 3.39Å; T345-Y411 HydrophobicContact CG2-CE1 3.43Å; T345-Y411 VanDerWaalsContact CG2-CE1 3.43Å; T345-Y411 HydrophobicContact CG2-CG 4.31Å; I349-Y411 HydrophobicContact CD1-CD1 4.2Å; I349-Y411 HydrophobicContact CD1-CD2 3.69Å; I349-Y411 HydrophobicContact CD1-CE1 4.42Å; I349-Y411 HydrophobicContact CD1-CE2 3.95Å; I349-Y411 HydrophobicContact CD1-CG 3.82Å; I349-Y411 HydrophobicContact CG1-CE2 4.44Å; I409-Y411 PolarHBondContact O-N 3.34Å; Y411-L441 HydrophobicContact CD2-CD1 3.95Å; Y411-L441 HydrophobicContact CE2-CD1 4.3Å
412	D	94.7	Very high	88.5	Confident	3 Å²	3	19.9 Å²	19.9	2%	0.016	10%	0.104	C	C	.	.	S	Bend	trans	-139.2	158.5	172.8	56	37.7	0	0	0	110.9	N268 S340 N341 F342	N268-D412 PolarHBondContact ND2-OD2 3.1Å; S340-D412 PolarHBondContact OG-OD2 3.4Å; N341-D412 WeakPolarHBondContact CB-OD1 3.4Å; N341-D412 PolarHBondContact N-OD1 2.88Å; N341-D412 PolarHBondContact ND2-O 2.86Å; N341-D412 PolarHBondContact ND2-OD1 2.72Å; F342-D412 VanDerWaalsContact CD2-OD2 3.25Å; F342-D412 WeakPolarHBondContact CD2-OD2 3.33Å
413	L	91.9	Very high	88.2	Confident	2 Å²	2	20 Å²	20	1%	0.01	11%	0.105	C	C	.	.			trans	-103.7	142.8	-176.9	-58.4	179.8	0	0	0	110.8	R264 D420 R440 I442 I451 F452	R264-L413 PolarHBondContact NH2-O 2.79Å; L413-D420 WeakPolarHBondContact CD2-OD2 3.41Å; L413-R440 HydrophobicContact CD2-CB 4.29Å; L413-R440 HydrophobicContact CD2-CG 4.42Å; L413-I442 HydrophobicContact CD1-CD1 4.16Å; L413-I442 HydrophobicContact CD1-CG1 3.85Å; L413-I451 HydrophobicContact CB-CG2 3.93Å; L413-F452 HydrophobicContact CD1-CB 3.74Å; L413-F452 HydrophobicContact CD1-CD2 3.85Å; L413-F452 HydrophobicContact CD1-CG 4.25Å
414	D	87.1	Confident	87.9	Confident	30 Å²	30	18.5 Å²	18.5	16%	0.16	10%	0.097	C	C	.	.			trans	-88.1	154	170.6	-165.7	-96.2	0	0	0	111.2	N341 N416 C419 D420 Q455	N341-D414 PolarHBondContact ND2-N 3.45Å; D414-N416 PolarHBondContact O-N 2.92Å; D414-N416 VanDerWaalsContact OD1-CB 3.32Å; D414-N416 WeakPolarHBondContact OD1-CB 3.33Å; D414-N416 PolarHBondContact OD1-N 3.19Å; D414-C419 HydrophobicContact CB-CB 3.84Å; D414-D420 PolarHBondContact N-OD1 3.39Å; D414-Q455 PolarHBondContact O-NE2 3.45Å
415	W	82.2	Confident	87.5	Confident	73 Å²	73	17.5 Å²	17.5	28%	0.277	9%	0.086	S	C	.	.	S	Bend	trans	-64.4	-23.9	173.7	-69.7	94.9	0	0	0	112.8	I447 I451 I487	W415-I447 HydrophobicContact CZ2-CD1 4.29Å; W415-I447 HydrophobicContact CZ2-CG1 4.48Å; W415-I451 HydrophobicContact CD2-CD1 4.32Å; W415-I451 HydrophobicContact CD2-CG1 3.89Å; W415-I451 HydrophobicContact CE3-CG1 3.9Å; W415-I451 HydrophobicContact CH2-CD1 4.36Å; W415-I451 HydrophobicContact CH2-CG1 3.64Å; W415-I451 HydrophobicContact CZ2-CD1 3.84Å; W415-I451 HydrophobicContact CZ2-CG1 3.62Å; W415-I451 HydrophobicContact CZ3-CG1 3.77Å; W415-I487 HydrophobicContact CH2-CD1 4.35Å
416	N	76.3	Confident	87	Confident	28 Å²	28	18 Å²	18	15%	0.15	9%	0.088	C	C	.	.	S	Bend	trans	-98.7	110	174.1	-177.8	1.1	0	0	0	110.3	D414 T418 C419	D414-N416 PolarHBondContact O-N 2.92Å; D414-N416 VanDerWaalsContact OD1-CB 3.32Å; D414-N416 WeakPolarHBondContact OD1-CB 3.33Å; D414-N416 PolarHBondContact OD1-N 3.19Å; N416-T418 PolarHBondContact O-N 3.26Å; N416-T418 WeakPolarHBondContact OD1-CB 3.24Å; N416-T418 PolarHBondContact OD1-N 3.34Å; N416-T418 PolarHBondContact OD1-OG1 2.71Å; N416-C419 PolarHBondContact O-N 3.09Å
417	P	79.7	Confident	86.7	Confident	19 Å²	19	18.1 Å²	18.1	12%	0.123	9%	0.089	C	C	.	.	H	α-helix	trans	-61	-16.5	-179	25.4	-34.5	0	0	0	113.3	C419 D420 K421 Q455	P417-C419 VanDerWaalsContact C-N 3.33Å; P417-C419 PolarHBondContact O-N 3.4Å; P417-D420 PolarHBondContact O-N 3.14Å; P417-K421 WeakPolarHBondContact O-CG 3.3Å; P417-K421 PolarHBondContact O-N 2.87Å; P417-Q455 HydrophobicContact CB-CB 4.11Å; P417-Q455 HydrophobicContact CB-CG 3.99Å
418	T	76	Confident	86.3	Confident	20 Å²	20	18.2 Å²	18.2	12%	0.123	9%	0.09	C	C	.	.	H	α-helix	trans	-60.1	-41.9	174.3	-57.2	0	0	0	0	112.5	T135 N416 D420 K421 Q422	T135-T418 HydrophobicContact CG2-CG2 3.13Å; T135-T418 WeakPolarHBondContact CG2-OG1 3.24Å; N416-T418 PolarHBondContact O-N 3.26Å; N416-T418 WeakPolarHBondContact OD1-CB 3.24Å; N416-T418 PolarHBondContact OD1-N 3.34Å; N416-T418 PolarHBondContact OD1-OG1 2.71Å; T418-D420 VanDerWaalsContact C-N 3.28Å; T418-D420 PolarHBondContact O-N 3.28Å; T418-K421 PolarHBondContact O-N 3.06Å; T418-Q422 HydrophobicContact CG2-CG 4.22Å; T418-Q422 WeakPolarHBondContact O-CB 3.43Å; T418-Q422 VanDerWaalsContact O-CG 3.3Å; T418-Q422 WeakPolarHBondContact O-CG 3.2Å; T418-Q422 PolarHBondContact O-N 2.99Å
419	C	78.8	Confident	85.9	Confident	36 Å²	36	20.4 Å²	20.4	24%	0.243	10%	0.098	C	C	.	.	H	α-helix	trans	-59.1	-46	-177.2	-63.7	0	0	0	0	109.9	D414 N416 P417 Q422 A423	D414-C419 HydrophobicContact CB-CB 3.84Å; N416-C419 PolarHBondContact O-N 3.09Å; P417-C419 VanDerWaalsContact C-N 3.33Å; P417-C419 PolarHBondContact O-N 3.4Å; C419-Q422 WeakPolarHBondContact O-CB 3.45Å; C419-Q422 PolarHBondContact O-N 3.45Å; C419-A423 PolarHBondContact O-N 2.54Å
420	D	83.5	Confident	85.2	Confident	4 Å²	4	26.7 Å²	26.7	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-66.4	-43.8	178.7	-60.5	6.8	0	0	0	111.2	L410 L413 D414 P417 T418 Q422 A423 M424 Q455	L410-D420 HydrophobicContact CD1-CB 3.9Å; L413-D420 WeakPolarHBondContact CD2-OD2 3.41Å; D414-D420 PolarHBondContact N-OD1 3.39Å; P417-D420 PolarHBondContact O-N 3.14Å; T418-D420 VanDerWaalsContact C-N 3.28Å; T418-D420 PolarHBondContact O-N 3.28Å; D420-Q422 VanDerWaalsContact C-N 3.26Å; D420-Q422 PolarHBondContact O-N 3.11Å; D420-A423 PolarHBondContact O-N 3.19Å; D420-M424 WeakPolarHBondContact O-CB 3.41Å; D420-M424 PolarHBondContact O-N 3.33Å; D420-Q455 PolarHBondContact OD2-NE2 3.09Å
421	K	81.4	Confident	84.7	Confident	103 Å²	103	28.3 Å²	28.3	45%	0.448	15%	0.149	S	C	.	.	H	α-helix	trans	-59.7	-35.5	173.6	-73.6	177.1	-177.7	-179.3	0	112.2	P417 T418 M424 A425	P417-K421 WeakPolarHBondContact O-CG 3.3Å; P417-K421 PolarHBondContact O-N 2.87Å; T418-K421 PolarHBondContact O-N 3.06Å; K421-M424 HydrophobicContact CG-CE 4.37Å; K421-A425 WeakPolarHBondContact O-CB 3.24Å; K421-A425 PolarHBondContact O-N 3.44Å; K421-A425 VanDerWaalsContact O-N 3.08Å
422	Q	79.7	Confident	84.4	Confident	23 Å²	23	29 Å²	29	11%	0.107	15%	0.152	C	C	.	.	H	α-helix	trans	-69.4	-41.1	176.4	-74.8	-177.1	26	0	0	112.3	M1 T418 C419 D420 A425 R426	M1-Q422 VanDerWaalsContact CE-CD 3.41Å; M1-Q422 HydrophobicContact CE-CG 3.74Å; M1-Q422 HydrophobicContact CG-CG 3.84Å; M1-Q422 HydrophobicContact SD-CG 3.77Å; T418-Q422 HydrophobicContact CG2-CG 4.22Å; T418-Q422 WeakPolarHBondContact O-CB 3.43Å; T418-Q422 VanDerWaalsContact O-CG 3.3Å; T418-Q422 WeakPolarHBondContact O-CG 3.2Å; T418-Q422 PolarHBondContact O-N 2.99Å; C419-Q422 WeakPolarHBondContact O-CB 3.45Å; C419-Q422 PolarHBondContact O-N 3.45Å; D420-Q422 VanDerWaalsContact C-N 3.26Å; D420-Q422 PolarHBondContact O-N 3.11Å; Q422-A425 PolarHBondContact O-N 3.28Å; Q422-R426 PolarHBondContact O-NE 3.11Å
423	A	83.7	Confident	84.2	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-63.8	-44.1	174.8	0	0	0	0	0	111.3	A339 T393 L410 C419 D420 A425 R426	A339-A423 HydrophobicContact CB-CB 4.37Å; T393-A423 HydrophobicContact CG2-CB 3.75Å; L410-A423 HydrophobicContact CD2-CB 4.13Å; C419-A423 PolarHBondContact O-N 2.54Å; D420-A423 PolarHBondContact O-N 3.19Å; A423-A425 VanDerWaalsContact C-N 3.32Å; A423-A425 PolarHBondContact O-N 2.72Å; A423-R426 VanDerWaalsContact O-CB 3.28Å; A423-R426 WeakPolarHBondContact O-CB 3.34Å; A423-R426 WeakPolarHBondContact O-CG 3.13Å; A423-R426 PolarHBondContact O-N 3.33Å; A423-R426 VanDerWaalsContact O-N 3.09Å
424	M	86.2	Confident	84.2	Confident	13 Å²	13	44.8 Å²	44.8	6%	0.064	21%	0.211	C	C	.	.	H	α-helix	trans	-55.4	-44.3	173.5	170.3	167.9	72.5	0	0	113.1	K216 L408 D420 K421 R426 V427 W428 I438	K216-M424 HydrophobicContact CD-SD 4.23Å; L408-M424 VanDerWaalsContact CD2-CA 3.42Å; L408-M424 HydrophobicContact CD2-CB 4.09Å; D420-M424 WeakPolarHBondContact O-CB 3.41Å; D420-M424 PolarHBondContact O-N 3.33Å; K421-M424 HydrophobicContact CG-CE 4.37Å; M424-R426 PolarHBondContact O-N 3.18Å; M424-V427 PolarHBondContact O-N 2.96Å; M424-V427 VanDerWaalsContact O-N 3.1Å; M424-W428 PolarHBondContact O-N 2.72Å; M424-W428 VanDerWaalsContact O-N 3.14Å; M424-I438 HydrophobicContact CB-CD1 4.23Å; M424-I438 HydrophobicContact CG-CD1 3.32Å; M424-I438 HydrophobicContact SD-CD1 3.22Å; M424-I438 WeakPolarHBondContact SD-CD1 3.39Å
425	A	83.3	Confident	84.5	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.008	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	0.5	179.7	0	0	0	0	0	114.5	M1 K421 Q422 A423	M1-A425 HydrophobicContact CB-CB 4.5Å; K421-A425 WeakPolarHBondContact O-CB 3.24Å; K421-A425 PolarHBondContact O-N 3.44Å; K421-A425 VanDerWaalsContact O-N 3.08Å; Q422-A425 PolarHBondContact O-N 3.28Å; A423-A425 VanDerWaalsContact C-N 3.32Å; A423-A425 PolarHBondContact O-N 2.72Å
426	R	84.4	Confident	85.1	Confident	11 Å²	11	42.2 Å²	42.2	4%	0.042	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-27.3	171.6	-53.4	-59.6	159.6	-159.4	4.7	113.2	G396 G397 G399 L400 L402 Q422 A423 M424	G396-R426 PolarHBondContact O-NE 3.18Å; G396-R426 PolarHBondContact O-NH2 2.87Å; G396-R426 VanDerWaalsContact O-NH2 3.13Å; G397-R426 PolarHBondContact O-NH2 3.27Å; G399-R426 PolarHBondContact O-NH1 2.76Å; L400-R426 WeakPolarHBondContact O-CD 3.1Å; L400-R426 PolarHBondContact O-NH1 2.95Å; L402-R426 CarbonylContact C-O 3.57Å; L402-R426 WeakPolarHBondContact CA-O 3.34Å; L402-R426 HydrophobicContact CD1-CB 4.37Å; L402-R426 PolarHBondContact N-O 2.87Å; Q422-R426 PolarHBondContact O-NE 3.11Å; A423-R426 VanDerWaalsContact O-CB 3.28Å; A423-R426 WeakPolarHBondContact O-CB 3.34Å; A423-R426 WeakPolarHBondContact O-CG 3.13Å; A423-R426 PolarHBondContact O-N 3.33Å; A423-R426 VanDerWaalsContact O-N 3.09Å; M424-R426 PolarHBondContact O-N 3.18Å
427	V	89.5	Confident	86	Confident	4 Å²	4	42 Å²	42	2%	0.024	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-48.8	-176.3	-176	0	0	0	0	110.3	V337 L402 A405 L408 M424 R429 Q432	V337-V427 HydrophobicContact CB-CG2 4.19Å; V337-V427 HydrophobicContact CG2-CG2 3.91Å; L402-V427 HydrophobicContact CB-CG2 4.43Å; A405-V427 HydrophobicContact CB-CG1 4.35Å; A405-V427 VanDerWaalsContact O-CG1 3.24Å; A405-V427 WeakPolarHBondContact O-CG1 3.46Å; L408-V427 HydrophobicContact CB-CG2 4.26Å; L408-V427 HydrophobicContact CD1-CG2 4.39Å; M424-V427 PolarHBondContact O-N 2.96Å; M424-V427 VanDerWaalsContact O-N 3.1Å; V427-R429 PolarHBondContact O-N 3.17Å; V427-Q432 PolarHBondContact O-NE2 2.91Å; V427-Q432 VanDerWaalsContact O-NE2 3.17Å
428	W	88.7	Confident	86.7	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.015	20%	0.197	C	C	.	.	S	Bend	trans	-93.5	88.9	178.1	-167.1	70	0	0	0	110.4	Q206 A210 L213 P214 K216 M424 C436	Q206-W428 HydrophobicContact CB-CZ3 4.1Å; Q206-W428 HydrophobicContact CG-CZ3 4.42Å; A210-W428 HydrophobicContact CB-CH2 4.15Å; L213-W428 HydrophobicContact CB-CH2 4.45Å; L213-W428 HydrophobicContact CB-CZ2 3.6Å; L213-W428 HydrophobicContact CD1-CD2 3.73Å; L213-W428 HydrophobicContact CD1-CE3 3.9Å; L213-W428 HydrophobicContact CD1-CG 4.44Å; L213-W428 HydrophobicContact CD1-CH2 3.8Å; L213-W428 HydrophobicContact CD1-CZ2 3.61Å; L213-W428 HydrophobicContact CD1-CZ3 3.94Å; L213-W428 HydrophobicContact CG-CZ2 4.26Å; P214-W428 PolarHBondContact O-NE1 3.45Å; K216-W428 HydrophobicContact CB-CD2 4.29Å; K216-W428 HydrophobicContact CB-CG 4.46Å; K216-W428 HydrophobicContact CB-CZ2 4.17Å; K216-W428 HydrophobicContact CD-CB 4.44Å; K216-W428 HydrophobicContact CD-CD2 3.65Å; K216-W428 HydrophobicContact CD-CE3 3.81Å; K216-W428 HydrophobicContact CD-CG 3.94Å; K216-W428 HydrophobicContact CD-CZ2 4.46Å; K216-W428 HydrophobicContact CD-CZ3 4.27Å; K216-W428 HydrophobicContact CG-CD2 4.32Å; K216-W428 HydrophobicContact CG-CG 4.3Å; M424-W428 PolarHBondContact O-N 2.72Å; M424-W428 VanDerWaalsContact O-N 3.14Å; W428-C436 HydrophobicContact CB-CB 4.26Å; W428-C436 HydrophobicContact CG-CB 4.22Å
429	R	86.1	Confident	87.7	Confident	47 Å²	47	40.3 Å²	40.3	18%	0.177	19%	0.191	C	C	.	.	S	Bend	trans	-153.4	168.8	179.7	120.3	179.6	-67	-173.8	-7	109.8	G2 N401 I403 V427 G431 Q432	G2-R429 PolarHBondContact O-NH2 3.43Å; G2-R429 VanDerWaalsContact O-NH2 3.1Å; N401-R429 WeakPolarHBondContact OD1-CD 3.43Å; I403-R429 HydrophobicContact CG2-CG 4.39Å; V427-R429 PolarHBondContact O-N 3.17Å; R429-G431 PolarHBondContact O-N 3.39Å; R429-Q432 WeakPolarHBondContact O-CB 3.39Å; R429-Q432 PolarHBondContact O-N 3.48Å
430	D	82.5	Confident	88.5	Confident	134 Å²	134	40.3 Å²	40.3	72%	0.717	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.4	134.2	171.7	-172.4	26.7	0	0	0	112.9
431	G	86.6	Confident	89.2	Confident	37 Å²	37	40.1 Å²	40.1	38%	0.381	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.9	-14.2	-169.3	0	0	0	0	0	115.1	R429	R429-G431 PolarHBondContact O-N 3.39Å
432	Q	90.3	Very high	89.9	Confident	15 Å²	15	35.2 Å²	35.2	7%	0.07	16%	0.163	C	C	.	.			trans	-66.1	134.4	170.4	-178.8	55.1	-99.7	0	0	110.6	P214 I403 A405 V427 R429 R434 C436	P214-Q432 WeakPolarHBondContact CD-O 3.31Å; P214-Q432 HydrophobicContact CG-CG 4.17Å; P214-Q432 VanDerWaalsContact CG-O 3.32Å; P214-Q432 WeakPolarHBondContact CG-O 3.3Å; I403-Q432 HydrophobicContact CG2-CB 4.36Å; I403-Q432 PolarHBondContact O-NE2 3.15Å; A405-Q432 PolarHBondContact O-NE2 3.25Å; V427-Q432 PolarHBondContact O-NE2 2.91Å; V427-Q432 VanDerWaalsContact O-NE2 3.17Å; R429-Q432 WeakPolarHBondContact O-CB 3.39Å; R429-Q432 PolarHBondContact O-N 3.48Å; Q432-R434 WeakPolarHBondContact CG-O 3.31Å; Q432-R434 PolarHBondContact OE1-O 2.74Å; Q432-C436 VanDerWaalsContact CG-SG 3.59Å
433	R	90.1	Very high	90.8	Very high	233 Å²	233	34.2 Å²	34.2	88%	0.879	16%	0.159	S	C	*	.			trans	-117.5	-15.1	-177.6	-60.7	-175.9	-178.5	-166.7	-1.6	113.7
434	R	92.3	Very high	91.3	Very high	104 Å²	104	34.4 Å²	34.4	39%	0.392	16%	0.16	S	C	.	.	S	Bend	trans	-111.5	156.4	-176.3	-64	-177	178.3	178.5	0.6	110.5	P214 D333 N406 Q432 C436	P214-R434 VanDerWaalsContact CB-O 3.31Å; P214-R434 WeakPolarHBondContact CB-O 3.49Å; D333-R434 PolarHBondContact O-NH1 3.01Å; N406-R434 HydrophobicContact CB-CB 3.76Å; Q432-R434 WeakPolarHBondContact CG-O 3.31Å; Q432-R434 PolarHBondContact OE1-O 2.74Å; R434-C436 PolarHBondContact O-N 3.44Å
435	V	93.5	Very high	91.6	Very high	49 Å²	49	34 Å²	34	30%	0.297	16%	0.159	S	C	.	.			trans	-57.1	125.2	171.4	177.1	0	0	0	0	109.1	K215 V217 N406	K215-V435 HydrophobicContact CB-CG1 4.2Å; K215-V435 HydrophobicContact CB-CG2 4.23Å; K215-V435 HydrophobicContact CG-CG1 4.5Å; K215-V435 CarbonylContact O-C 3.56Å; K215-V435 WeakPolarHBondContact O-CA 3.35Å; K215-V435 WeakPolarHBondContact O-CG1 3.1Å; V217-V435 HydrophobicContact CG2-CG1 4.35Å; N406-V435 PolarHBondContact ND2-O 2.84Å
436	C	94	Very high	92.2	Very high	1 Å²	1	34 Å²	34	1%	0.007	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	129.9	179.3	-85.2	0	0	0	0	111	K215 K216 V217 N406 W428 Q432 R434	K215-C436 PolarHBondContact O-N 2.84Å; K216-C436 CarbonylContact C-O 3.59Å; K216-C436 WeakPolarHBondContact CA-O 3.4Å; K216-C436 HydrophobicContact CG-CB 4.41Å; V217-C436 PolarHBondContact N-O 3.48Å; N406-C436 CarbonylContact O-C 3.58Å; N406-C436 VanDerWaalsContact O-CA 3.25Å; N406-C436 WeakPolarHBondContact O-CA 3.48Å; W428-C436 HydrophobicContact CB-CB 4.26Å; W428-C436 HydrophobicContact CG-CB 4.22Å; Q432-C436 VanDerWaalsContact CG-SG 3.59Å; R434-C436 PolarHBondContact O-N 3.44Å
437	R	95.7	Very high	92.6	Very high	23 Å²	23	33.5 Å²	33.5	9%	0.087	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.6	175.6	-62.7	178.5	-177.8	86.8	5.5	110.4	V217 Y219 E334 N406 R407 L408 Y439 A546	V217-R437 WeakPolarHBondContact O-CA 2.89Å; Y219-R437 HydrophobicContact CE2-CB 4.31Å; Y219-R437 HydrophobicContact CE2-CG 4.38Å; E334-R437 IonicContact OE1-NH1 3.88Å; E334-R437 PolarHBondContact OE1-NH1 2.75Å; N406-R437 PolarHBondContact O-N 2.74Å; R407-R437 CarbonylContact C-O 3.59Å; R407-R437 VanDerWaalsContact CA-O 3.31Å; R407-R437 WeakPolarHBondContact CA-O 3.16Å; R407-R437 HydrophobicContact CG-CB 4.38Å; R407-R437 VanDerWaalsContact NH1-CD 3.32Å; L408-R437 PolarHBondContact N-O 3.09Å; R437-Y439 HydrophobicContact CB-CE2 3.8Å; R437-A546 VanDerWaalsContact CD-O 3.29Å; R437-A546 WeakPolarHBondContact CD-O 3.49Å; R437-A546 PolarHBondContact NE-O 3.01Å
438	I	94.7	Very high	92.8	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.015	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	124	-174.5	-53.3	-172.2	0	0	0	108.9	K216 V217 D218 Y219 L408 M424	K216-I438 HydrophobicContact CD-CD1 3.96Å; K216-I438 HydrophobicContact CG-CD1 4.14Å; V217-I438 PolarHBondContact O-N 2.92Å; D218-I438 CarbonylContact C-O 3.55Å; D218-I438 WeakPolarHBondContact OD1-CB 3.29Å; Y219-I438 PolarHBondContact N-O 3.29Å; L408-I438 HydrophobicContact CB-CG1 4.42Å; L408-I438 HydrophobicContact CD2-CG2 4.37Å; L408-I438 CarbonylContact O-C 3.59Å; L408-I438 VanDerWaalsContact O-CA 3.32Å; L408-I438 WeakPolarHBondContact O-CA 3.31Å; M424-I438 HydrophobicContact CB-CD1 4.23Å; M424-I438 HydrophobicContact CG-CD1 3.32Å; M424-I438 HydrophobicContact SD-CD1 3.22Å; M424-I438 WeakPolarHBondContact SD-CD1 3.39Å
439	Y	97	Very high	93	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.5	-178.9	-54	-89.4	0	0	0	109	Y219 V221 L323 R407 L408 I409 L410 R437 S547 L549	Y219-Y439 AromaticContact CD2-CD1 3.93Å; Y219-Y439 HydrophobicContact CD2-CD1 3.93Å; Y219-Y439 AromaticContact CD2-CE1 3.63Å; Y219-Y439 HydrophobicContact CD2-CE1 3.63Å; Y219-Y439 HydrophobicContact CE2-CE1 4.13Å; Y219-Y439 HydrophobicContact CG-CD1 4.21Å; Y219-Y439 HydrophobicContact CG-CE1 4.16Å; Y219-Y439 CarbonylContact O-C 3.4Å; Y219-Y439 WeakPolarHBondContact O-CA 3.43Å; V221-Y439 HydrophobicContact CG2-CD1 4.42Å; L323-Y439 HydrophobicContact CD1-CE1 4.16Å; L323-Y439 HydrophobicContact CD2-CD1 4.06Å; L323-Y439 HydrophobicContact CD2-CD2 4.21Å; L323-Y439 HydrophobicContact CD2-CE1 4.32Å; L323-Y439 HydrophobicContact CD2-CE2 4.5Å; L323-Y439 HydrophobicContact CD2-CG 3.99Å; R407-Y439 HydrophobicContact CB-CE2 4.37Å; R407-Y439 PolarHBondContact NH1-OH 3.04Å; L408-Y439 PolarHBondContact O-N 2.82Å; I409-Y439 CarbonylContact C-O 3.49Å; I409-Y439 WeakPolarHBondContact CA-O 3.22Å; I409-Y439 HydrophobicContact CG1-CD2 3.91Å; I409-Y439 HydrophobicContact CG1-CG 4.39Å; L410-Y439 PolarHBondContact N-O 3.31Å; R437-Y439 HydrophobicContact CB-CE2 3.8Å; Y439-S547 VanDerWaalsContact CE1-O 3.31Å; Y439-S547 WeakPolarHBondContact CE1-O 3.37Å; Y439-S547 PolarHBondContact OH-O 3.25Å; Y439-L549 HydrophobicContact CD1-CD1 4.21Å; Y439-L549 HydrophobicContact CD1-CD2 4.17Å; Y439-L549 HydrophobicContact CD1-CG 4.34Å; Y439-L549 HydrophobicContact CE1-CD1 4.06Å; Y439-L549 HydrophobicContact CE1-CD2 4.21Å; Y439-L549 HydrophobicContact CE1-CG 3.99Å
440	R	96.4	Very high	93.1	Very high	36 Å²	36	32.1 Å²	32.1	14%	0.136	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	110.9	170.2	-60.4	-174	-167	-172.3	11.5	107.8	Y219 V221 L410 L413	Y219-R440 PolarHBondContact O-N 3.29Å; V221-R440 PolarHBondContact N-O 3.07Å; L410-R440 HydrophobicContact CB-CG 4.36Å; L410-R440 HydrophobicContact CD1-CG 4.03Å; L413-R440 HydrophobicContact CD2-CB 4.29Å; L413-R440 HydrophobicContact CD2-CG 4.42Å
441	L	97.5	Very high	93.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	127.3	178.8	-55	-173.8	0	0	0	109.3	V221 K316 V319 L320 I409 L410 Y411	V221-L441 HydrophobicContact CB-CD2 3.97Å; V221-L441 HydrophobicContact CG1-CD2 4.3Å; V221-L441 HydrophobicContact CG2-CD2 4.45Å; K316-L441 HydrophobicContact CD-CB 3.71Å; K316-L441 HydrophobicContact CG-CB 4.06Å; V319-L441 HydrophobicContact CG1-CD2 4.1Å; L320-L441 HydrophobicContact CB-CD1 4.28Å; I409-L441 HydrophobicContact CG2-CD1 3.95Å; I409-L441 HydrophobicContact CG2-CG 4.05Å; L410-L441 PolarHBondContact O-N 2.98Å; Y411-L441 HydrophobicContact CD2-CD1 3.95Å; Y411-L441 HydrophobicContact CE2-CD1 4.3Å
442	I	97	Very high	93.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	129.1	-175.8	-59.6	162	0	0	0	108	A220 V221 F222 C223 L413 T444 E448 E449 F452	A220-I442 HydrophobicContact CB-CD1 4.31Å; V221-I442 PolarHBondContact O-N 3.43Å; F222-I442 CarbonylContact C-O 3.55Å; F222-I442 WeakPolarHBondContact CA-O 3.35Å; F222-I442 HydrophobicContact CD1-CB 4.29Å; F222-I442 HydrophobicContact CD1-CG2 4.03Å; F222-I442 HydrophobicContact CE1-CB 4.28Å; F222-I442 HydrophobicContact CE1-CD1 4.2Å; F222-I442 HydrophobicContact CE1-CG2 3.81Å; F222-I442 HydrophobicContact CE2-CD1 3.98Å; F222-I442 HydrophobicContact CZ-CD1 3.76Å; F222-I442 HydrophobicContact CZ-CG2 4.46Å; C223-I442 PolarHBondContact N-O 2.91Å; L413-I442 HydrophobicContact CD1-CD1 4.16Å; L413-I442 HydrophobicContact CD1-CG1 3.85Å; I442-T444 PolarHBondContact O-N 2.62Å; I442-E448 HydrophobicContact CG2-CB 4.08Å; I442-E449 HydrophobicContact CG2-CB 4.03Å; I442-F452 HydrophobicContact CD1-CB 3.89Å; I442-F452 HydrophobicContact CD1-CD1 3.91Å; I442-F452 HydrophobicContact CD1-CD2 3.58Å; I442-F452 HydrophobicContact CD1-CE1 4.31Å; I442-F452 HydrophobicContact CD1-CE2 4.01Å; I442-F452 HydrophobicContact CD1-CG 3.51Å; I442-F452 HydrophobicContact CD1-CZ 4.34Å
443	V	96.6	Very high	93.5	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.006	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	121.6	171.4	-171.1	0	0	0	0	110.6	C223 P225 C267 K316 T446 E448	C223-V443 CarbonylContact O-C 3.55Å; C223-V443 WeakPolarHBondContact O-CA 3.25Å; P225-V443 HydrophobicContact CB-CG1 3.79Å; P225-V443 HydrophobicContact CG-CG1 4.19Å; C267-V443 HydrophobicContact CB-CB 4.45Å; C267-V443 HydrophobicContact CB-CG2 3.88Å; K316-V443 HydrophobicContact CD-CG2 3.88Å; K316-V443 HydrophobicContact CG-CG2 3.77Å; V443-T446 HydrophobicContact CB-CG2 3.97Å; V443-T446 WeakPolarHBondContact CB-OG1 3.27Å; V443-T446 HydrophobicContact CG1-CG2 3.53Å; V443-T446 PolarHBondContact O-N 3.25Å; V443-T446 PolarHBondContact O-OG1 3.28Å; V443-E448 PolarHBondContact N-OE2 3.24Å; V443-E448 VanDerWaalsContact N-OE2 3.09Å
444	T	95.5	Very high	93.1	Very high	5 Å²	5	16.9 Å²	16.9	3%	0.031	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	133.6	-179	-48.3	0	0	0	0	111.5	C223 I442 T446 C495 S557	C223-T444 PolarHBondContact O-N 3.41Å; C223-T444 PolarHBondContact O-OG1 2.86Å; I442-T444 PolarHBondContact O-N 2.62Å; T444-T446 PolarHBondContact O-N 3.37Å; T444-C495 VanDerWaalsContact CG2-O 3.3Å; T444-C495 WeakPolarHBondContact CG2-O 3.42Å; T444-S557 PolarHBondContact OG1-OG 3.45Å
445	G	92.6	Very high	92.7	Very high	5 Å²	5	12.3 Å²	12.3	5%	0.052	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	15.8	173.1	0	0	0	0	0	114.9	E449 L490 K491	G445-E449 WeakPolarHBondContact CA-OE2 3.49Å; G445-E449 PolarHBondContact N-OE2 2.9Å; G445-L490 WeakPolarHBondContact O-CA 3.4Å; G445-K491 VanDerWaalsContact CA-O 3.32Å; G445-K491 WeakPolarHBondContact CA-O 3.5Å; G445-K491 PolarHBondContact O-N 3.04Å
446	T	94.4	Very high	92.1	Very high	2 Å²	2	11 Å²	11	1%	0.012	5%	0.052	C	C	.	.	S	Bend	trans	-115	-178.1	-178.4	70.4	0	0	0	0	112.5	Y233 V443 T444 E448 E449 C450 L490	Y233-T446 HydrophobicContact CD2-CG2 4.35Å; Y233-T446 HydrophobicContact CE2-CG2 3.97Å; V443-T446 HydrophobicContact CB-CG2 3.97Å; V443-T446 WeakPolarHBondContact CB-OG1 3.27Å; V443-T446 HydrophobicContact CG1-CG2 3.53Å; V443-T446 PolarHBondContact O-N 3.25Å; V443-T446 PolarHBondContact O-OG1 3.28Å; T444-T446 PolarHBondContact O-N 3.37Å; T446-E448 PolarHBondContact O-N 2.9Å; T446-E448 VanDerWaalsContact O-N 3.16Å; T446-E448 PolarHBondContact OG1-N 3.46Å; T446-E449 PolarHBondContact O-N 3.36Å; T446-E449 VanDerWaalsContact O-N 3.15Å; T446-C450 PolarHBondContact O-N 3.38Å; T446-L490 HydrophobicContact CG2-CD1 3.92Å
447	I	93.1	Very high	91.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-49	-35.3	169.7	-177	166	0	0	0	113.6	Y233 L260 M263 R264 W415 E449 C450 I451 I487	Y233-I447 PolarHBondContact OH-N 3.46Å; L260-I447 HydrophobicContact CB-CD1 4.02Å; L260-I447 HydrophobicContact CD2-CD1 3.39Å; L260-I447 HydrophobicContact CG-CD1 4.26Å; M263-I447 HydrophobicContact CB-CD1 4.45Å; M263-I447 HydrophobicContact CB-CG2 3.88Å; R264-I447 HydrophobicContact CG-CD1 4.19Å; R264-I447 HydrophobicContact CG-CG2 4.38Å; W415-I447 HydrophobicContact CZ2-CD1 4.29Å; W415-I447 HydrophobicContact CZ2-CG1 4.48Å; I447-E449 VanDerWaalsContact C-N 3.31Å; I447-E449 PolarHBondContact O-N 2.94Å; I447-C450 WeakPolarHBondContact O-CB 3.23Å; I447-C450 PolarHBondContact O-N 3.33Å; I447-C450 VanDerWaalsContact O-N 3.17Å; I447-I451 HydrophobicContact CG1-CD1 4.08Å; I447-I451 HydrophobicContact CG1-CG1 4.35Å; I447-I451 WeakPolarHBondContact O-CG1 3.46Å; I447-I451 PolarHBondContact O-N 3.2Å; I447-I487 HydrophobicContact CD1-CG2 3.98Å; I447-I487 HydrophobicContact CG1-CG2 3.91Å
448	E	93.7	Very high	89.9	Confident	3 Å²	3	18.1 Å²	18.1	1%	0.014	8%	0.084	C	C	.	.	H	α-helix	trans	-67.3	-36	-177.2	-65.2	-158.6	140.9	0	0	112.4	C267 K316 I442 V443 T446 C450 I451 F452	C267-E448 HydrophobicContact CB-CG 3.9Å; K316-E448 WeakPolarHBondContact CE-OE2 3.21Å; K316-E448 IonicContact NZ-OE1 2.69Å; K316-E448 PolarHBondContact NZ-OE1 3.34Å; K316-E448 IonicContact NZ-OE2 3.1Å; K316-E448 PolarHBondContact NZ-OE2 2.75Å; I442-E448 HydrophobicContact CG2-CB 4.08Å; V443-E448 PolarHBondContact N-OE2 3.24Å; V443-E448 VanDerWaalsContact N-OE2 3.09Å; T446-E448 PolarHBondContact O-N 2.9Å; T446-E448 VanDerWaalsContact O-N 3.16Å; T446-E448 PolarHBondContact OG1-N 3.46Å; E448-C450 VanDerWaalsContact C-N 3.32Å; E448-I451 WeakPolarHBondContact O-CB 3.3Å; E448-I451 PolarHBondContact O-N 3.39Å; E448-F452 PolarHBondContact O-N 3.16Å
449	E	92.6	Very high	88.4	Confident	2 Å²	2	18.8 Å²	18.8	1%	0.009	9%	0.091	C	C	.	.	H	α-helix	trans	-66	-38.1	174.2	180	154.6	-149.6	0	0	111	F222 I442 G445 T446 I447 I451 F452 Q453 C496 A497 T498	F222-E449 HydrophobicContact CE1-CB 4.43Å; F222-E449 HydrophobicContact CE1-CG 3.89Å; F222-E449 WeakPolarHBondContact CE1-OE1 3.38Å; I442-E449 HydrophobicContact CG2-CB 4.03Å; G445-E449 WeakPolarHBondContact CA-OE2 3.49Å; G445-E449 PolarHBondContact N-OE2 2.9Å; T446-E449 PolarHBondContact O-N 3.36Å; T446-E449 VanDerWaalsContact O-N 3.15Å; I447-E449 VanDerWaalsContact C-N 3.31Å; I447-E449 PolarHBondContact O-N 2.94Å; E449-I451 PolarHBondContact O-N 2.89Å; E449-F452 WeakPolarHBondContact O-CB 3.23Å; E449-F452 PolarHBondContact O-N 3.4Å; E449-Q453 VanDerWaalsContact O-CG 3.23Å; E449-Q453 WeakPolarHBondContact O-CG 3.41Å; E449-Q453 PolarHBondContact O-N 3.16Å; E449-C496 PolarHBondContact OE1-SG 2.93Å; E449-A497 HydrophobicContact CG-CB 4.34Å; E449-A497 PolarHBondContact OE1-N 2.92Å; E449-A497 WeakPolarHBondContact OE2-CB 3.42Å; E449-A497 PolarHBondContact OE2-N 3.32Å; E449-T498 WeakPolarHBondContact CG-OG1 3.46Å; E449-T498 WeakPolarHBondContact OE1-CB 3.19Å; E449-T498 PolarHBondContact OE1-N 3.46Å; E449-T498 PolarHBondContact OE1-OG1 3.42Å
450	C	89.6	Confident	86.6	Confident	21 Å²	21	19.3 Å²	19.3	14%	0.142	9%	0.094	C	C	.	.	H	α-helix	trans	-64.6	-38.2	172.5	-61.6	0	0	0	0	112.5	T446 I447 E448 R454 I487	T446-C450 PolarHBondContact O-N 3.38Å; I447-C450 WeakPolarHBondContact O-CB 3.23Å; I447-C450 PolarHBondContact O-N 3.33Å; I447-C450 VanDerWaalsContact O-N 3.17Å; E448-C450 VanDerWaalsContact C-N 3.32Å; C450-R454 WeakPolarHBondContact O-CG 3.21Å; C450-R454 PolarHBondContact O-N 2.96Å; C450-R454 VanDerWaalsContact O-N 3.1Å; C450-I487 HydrophobicContact CB-CG1 4.35Å
451	I	89.7	Confident	84.3	Confident	2 Å²	2	19 Å²	19	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-62.7	-46.4	174.3	-68.6	168.2	0	0	0	109.7	L413 W415 I447 E448 E449 R454 Q455	L413-I451 HydrophobicContact CB-CG2 3.93Å; W415-I451 HydrophobicContact CD2-CD1 4.32Å; W415-I451 HydrophobicContact CD2-CG1 3.89Å; W415-I451 HydrophobicContact CE3-CG1 3.9Å; W415-I451 HydrophobicContact CH2-CD1 4.36Å; W415-I451 HydrophobicContact CH2-CG1 3.64Å; W415-I451 HydrophobicContact CZ2-CD1 3.84Å; W415-I451 HydrophobicContact CZ2-CG1 3.62Å; W415-I451 HydrophobicContact CZ3-CG1 3.77Å; I447-I451 HydrophobicContact CG1-CD1 4.08Å; I447-I451 HydrophobicContact CG1-CG1 4.35Å; I447-I451 WeakPolarHBondContact O-CG1 3.46Å; I447-I451 PolarHBondContact O-N 3.2Å; E448-I451 WeakPolarHBondContact O-CB 3.3Å; E448-I451 PolarHBondContact O-N 3.39Å; E449-I451 PolarHBondContact O-N 2.89Å; I451-R454 PolarHBondContact O-N 3.15Å; I451-Q455 WeakPolarHBondContact O-CG 3.5Å; I451-Q455 PolarHBondContact O-N 3.45Å
452	F	91.2	Very high	82.1	Confident	2 Å²	2	19.6 Å²	19.6	1%	0.009	10%	0.099	C	C	.	.	H	α-helix	trans	-59.6	-49.5	178	-179.6	-111	0	0	0	111.9	A220 F222 L413 I442 E448 E449 R454 Q455 V456 T498 L528	A220-F452 HydrophobicContact CB-CE2 4.16Å; A220-F452 HydrophobicContact CB-CZ 3.78Å; F222-F452 HydrophobicContact CE2-CE1 4.38Å; F222-F452 AromaticContact CZ-CD1 3.83Å; F222-F452 HydrophobicContact CZ-CD1 3.83Å; F222-F452 AromaticContact CZ-CE1 3.88Å; F222-F452 HydrophobicContact CZ-CE1 3.88Å; L413-F452 HydrophobicContact CD1-CB 3.74Å; L413-F452 HydrophobicContact CD1-CD2 3.85Å; L413-F452 HydrophobicContact CD1-CG 4.25Å; I442-F452 HydrophobicContact CD1-CB 3.89Å; I442-F452 HydrophobicContact CD1-CD1 3.91Å; I442-F452 HydrophobicContact CD1-CD2 3.58Å; I442-F452 HydrophobicContact CD1-CE1 4.31Å; I442-F452 HydrophobicContact CD1-CE2 4.01Å; I442-F452 HydrophobicContact CD1-CG 3.51Å; I442-F452 HydrophobicContact CD1-CZ 4.34Å; E448-F452 PolarHBondContact O-N 3.16Å; E449-F452 WeakPolarHBondContact O-CB 3.23Å; E449-F452 PolarHBondContact O-N 3.4Å; F452-R454 VanDerWaalsContact C-N 3.27Å; F452-R454 PolarHBondContact O-N 3.28Å; F452-Q455 WeakPolarHBondContact O-CB 3.3Å; F452-Q455 PolarHBondContact O-N 3.41Å; F452-V456 HydrophobicContact CD1-CG2 4.3Å; F452-V456 HydrophobicContact CD2-CG2 4.31Å; F452-V456 HydrophobicContact CE1-CG2 4Å; F452-V456 HydrophobicContact CE2-CG2 4.01Å; F452-V456 HydrophobicContact CG-CG2 4.46Å; F452-V456 HydrophobicContact CZ-CG2 3.86Å; F452-V456 VanDerWaalsContact O-CG2 3.26Å; F452-V456 WeakPolarHBondContact O-CG2 3.38Å; F452-V456 PolarHBondContact O-N 2.7Å; F452-T498 HydrophobicContact CD1-CG2 4.2Å; F452-T498 HydrophobicContact CE1-CG2 4.19Å; F452-L528 HydrophobicContact CE1-CD1 3.77Å; F452-L528 HydrophobicContact CE1-CD2 4.22Å; F452-L528 HydrophobicContact CZ-CD1 3.76Å
453	Q	86.2	Confident	79.7	Confident	46 Å²	46	25 Å²	25	22%	0.215	13%	0.125	C	C	.	.	H	α-helix	trans	-54.2	-43.5	175.8	-71.9	162.4	7.5	0	0	112.1	E449 V456 K457 T498 L501	E449-Q453 VanDerWaalsContact O-CG 3.23Å; E449-Q453 WeakPolarHBondContact O-CG 3.41Å; E449-Q453 PolarHBondContact O-N 3.16Å; Q453-V456 PolarHBondContact O-N 3.24Å; Q453-K457 WeakPolarHBondContact O-CB 3.37Å; Q453-K457 PolarHBondContact O-N 3.14Å; Q453-T498 HydrophobicContact CG-CG2 3.87Å; Q453-T498 WeakPolarHBondContact CG-OG1 3.37Å; Q453-T498 PolarHBondContact NE2-OG1 3.1Å; Q453-L501 VanDerWaalsContact CD-CD1 3.49Å; Q453-L501 HydrophobicContact CG-CD1 4.31Å
454	R	82.3	Confident	76.8	Confident	49 Å²	49	30.9 Å²	30.9	19%	0.185	16%	0.155	C	C	.	.	H	α-helix	trans	-67.6	-38.4	176.7	-76.3	171.3	171.9	-145.4	-3.7	112.8	C450 I451 F452 V456 K458 I487	C450-R454 WeakPolarHBondContact O-CG 3.21Å; C450-R454 PolarHBondContact O-N 2.96Å; C450-R454 VanDerWaalsContact O-N 3.1Å; I451-R454 PolarHBondContact O-N 3.15Å; F452-R454 VanDerWaalsContact C-N 3.27Å; F452-R454 PolarHBondContact O-N 3.28Å; R454-V456 VanDerWaalsContact C-N 3.33Å; R454-K458 WeakPolarHBondContact O-CB 3.38Å; R454-K458 VanDerWaalsContact O-CG 3.31Å; R454-K458 WeakPolarHBondContact O-CG 3.49Å; R454-K458 PolarHBondContact O-N 2.98Å; R454-I487 VanDerWaalsContact NH2-CD1 3.26Å
455	Q	82.5	Confident	74.2	Confident	7 Å²	7	31 Å²	31	3%	0.033	16%	0.156	C	C	.	.	H	α-helix	trans	-61.7	-43.4	174.6	-76.1	-166.6	-8.5	0	0	111.7	D414 P417 D420 I451 F452 K458 G459	D414-Q455 PolarHBondContact O-NE2 3.45Å; P417-Q455 HydrophobicContact CB-CB 4.11Å; P417-Q455 HydrophobicContact CB-CG 3.99Å; D420-Q455 PolarHBondContact OD2-NE2 3.09Å; I451-Q455 WeakPolarHBondContact O-CG 3.5Å; I451-Q455 PolarHBondContact O-N 3.45Å; F452-Q455 WeakPolarHBondContact O-CB 3.3Å; F452-Q455 PolarHBondContact O-N 3.41Å; Q455-K458 PolarHBondContact O-N 3.24Å; Q455-G459 PolarHBondContact O-N 3.15Å
456	V	81.3	Confident	71.8	Confident	21 Å²	21	37.3 Å²	37.3	13%	0.127	19%	0.189	C	C	.	.	H	α-helix	trans	-63.7	-52.7	-179.9	168.3	0	0	0	0	110.2	F452 Q453 R454 K458 G459 E460 L528	F452-V456 HydrophobicContact CD1-CG2 4.3Å; F452-V456 HydrophobicContact CD2-CG2 4.31Å; F452-V456 HydrophobicContact CE1-CG2 4Å; F452-V456 HydrophobicContact CE2-CG2 4.01Å; F452-V456 HydrophobicContact CG-CG2 4.46Å; F452-V456 HydrophobicContact CZ-CG2 3.86Å; F452-V456 VanDerWaalsContact O-CG2 3.26Å; F452-V456 WeakPolarHBondContact O-CG2 3.38Å; F452-V456 PolarHBondContact O-N 2.7Å; Q453-V456 PolarHBondContact O-N 3.24Å; R454-V456 VanDerWaalsContact C-N 3.33Å; V456-K458 VanDerWaalsContact C-N 3.27Å; V456-K458 PolarHBondContact O-N 3.31Å; V456-G459 WeakPolarHBondContact O-CA 3.48Å; V456-G459 PolarHBondContact O-N 3.25Å; V456-E460 VanDerWaalsContact CG1-OE1 3.22Å; V456-E460 WeakPolarHBondContact CG1-OE1 3.34Å; V456-E460 PolarHBondContact O-N 3.43Å; V456-L528 HydrophobicContact CB-CD1 3.81Å; V456-L528 HydrophobicContact CG1-CB 4.27Å; V456-L528 HydrophobicContact CG1-CD1 3.36Å; V456-L528 HydrophobicContact CG1-CG 4.45Å; V456-L528 HydrophobicContact CG2-CD1 3.13Å
457	K	73.4	Confident	69.5	Low	113 Å²	113	38.5 Å²	38.5	49%	0.491	20%	0.197	S	C	.	.	H	α-helix	trans	-56.1	-41.3	177.2	-171	173.4	-176.7	173.6	0	112	Q453 I461	Q453-K457 WeakPolarHBondContact O-CB 3.37Å; Q453-K457 PolarHBondContact O-N 3.14Å; K457-I461 HydrophobicContact CG-CD1 4.42Å; K457-I461 WeakPolarHBondContact O-CB 3.05Å; K457-I461 WeakPolarHBondContact O-CG1 3.4Å; K457-I461 PolarHBondContact O-N 3.31Å
458	K	69.7	Low	67.3	Low	61 Å²	61	39.1 Å²	39.1	27%	0.265	20%	0.201	S	C	.	.	H	α-helix	trans	-66	-36.6	173.2	-77.8	-178.2	177.6	-175.2	0	112.8	R454 Q455 V456 I461 A462	R454-K458 WeakPolarHBondContact O-CB 3.38Å; R454-K458 VanDerWaalsContact O-CG 3.31Å; R454-K458 WeakPolarHBondContact O-CG 3.49Å; R454-K458 PolarHBondContact O-N 2.98Å; Q455-K458 PolarHBondContact O-N 3.24Å; V456-K458 VanDerWaalsContact C-N 3.27Å; V456-K458 PolarHBondContact O-N 3.31Å; K458-I461 WeakPolarHBondContact O-CG2 3.48Å; K458-A462 PolarHBondContact O-N 3.47Å; K458-A462 VanDerWaalsContact O-N 3.14Å
459	G	63.8	Low	65.1	Low	17 Å²	17	39 Å²	39	18%	0.175	20%	0.2	C	C	.	.	H	α-helix	trans	-65.4	-39.9	178.5	0	0	0	0	0	112.9	Q455 V456 A462 Q463	Q455-G459 PolarHBondContact O-N 3.15Å; V456-G459 WeakPolarHBondContact O-CA 3.48Å; V456-G459 PolarHBondContact O-N 3.25Å; G459-A462 WeakPolarHBondContact O-CB 3.14Å; G459-A462 PolarHBondContact O-N 2.89Å; G459-Q463 PolarHBondContact O-N 2.93Å
460	E	59.6	Low	62.7	Low	12 Å²	12	41.1 Å²	41.1	6%	0.056	21%	0.21	C	C	.	.	H	α-helix	trans	-62.6	-52.3	177.1	-84.2	167.6	-128.3	0	0	113.6	V456 A462 Q463 L464 A525 K526 P527	V456-E460 VanDerWaalsContact CG1-OE1 3.22Å; V456-E460 WeakPolarHBondContact CG1-OE1 3.34Å; V456-E460 PolarHBondContact O-N 3.43Å; E460-A462 PolarHBondContact O-N 2.87Å; E460-Q463 PolarHBondContact O-N 3.16Å; E460-L464 WeakPolarHBondContact O-CB 3.25Å; E460-L464 PolarHBondContact O-N 3Å; E460-A525 VanDerWaalsContact CD-C 3.49Å; E460-A525 WeakPolarHBondContact OE1-CA 3.49Å; E460-A525 WeakPolarHBondContact OE2-CA 3.39Å; E460-A525 PolarHBondContact OE2-N 3.12Å; E460-A525 VanDerWaalsContact OE2-N 3.11Å; E460-K526 VanDerWaalsContact CD-N 3.3Å; E460-K526 PolarHBondContact OE1-N 3.46Å; E460-K526 PolarHBondContact OE2-N 2.9Å; E460-P527 HydrophobicContact CG-CG 3.23Å; E460-P527 WeakPolarHBondContact OE1-CD 3.39Å
461	I	48.8	Very low	60.3	Low	30 Å²	30	42.5 Å²	42.5	15%	0.154	22%	0.216	C	C	.	.	H	α-helix	trans	-50	-38.6	172.1	-90.4	174.5	0	0	0	110.4	K457 K458 V465 D471	K457-I461 HydrophobicContact CG-CD1 4.42Å; K457-I461 WeakPolarHBondContact O-CB 3.05Å; K457-I461 WeakPolarHBondContact O-CG1 3.4Å; K457-I461 PolarHBondContact O-N 3.31Å; K458-I461 WeakPolarHBondContact O-CG2 3.48Å; I461-V465 VanDerWaalsContact O-CB 3.31Å; I461-V465 WeakPolarHBondContact O-CB 3.39Å; I461-V465 WeakPolarHBondContact O-CG2 3.48Å; I461-D471 HydrophobicContact CB-CB 3.63Å; I461-D471 HydrophobicContact CD1-CB 4.39Å; I461-D471 HydrophobicContact CG1-CB 3.64Å; I461-D471 HydrophobicContact CG2-CB 3.31Å; I461-D471 WeakPolarHBondContact CG2-O 3.48Å; I461-D471 PolarHBondContact O-N 2.97Å
462	A	49.8	Very low	58	Low	12 Å²	12	42.9 Å²	42.9	10%	0.099	22%	0.217	C	C	.	.	H	α-helix	trans	-75.9	-26.3	175.8	0	0	0	0	0	114.4	K458 G459 E460 E470	K458-A462 PolarHBondContact O-N 3.47Å; K458-A462 VanDerWaalsContact O-N 3.14Å; G459-A462 WeakPolarHBondContact O-CB 3.14Å; G459-A462 PolarHBondContact O-N 2.89Å; E460-A462 PolarHBondContact O-N 2.87Å; A462-E470 HydrophobicContact CB-CB 4.27Å; A462-E470 VanDerWaalsContact CB-CD 3.44Å; A462-E470 HydrophobicContact CB-CG 3.8Å
463	Q	47.1	Very low	55.5	Low	114 Å²	114	44.6 Å²	44.6	53%	0.533	23%	0.23	S	C	.	.	H	α-helix	trans	-87	-43.3	179.9	-78.7	-178.7	-36.9	0	0	113.2	G459 E460 V465	G459-Q463 PolarHBondContact O-N 2.93Å; E460-Q463 PolarHBondContact O-N 3.16Å; Q463-V465 PolarHBondContact O-N 3.02Å
464	L	35.9	Very low	52.9	Low	124 Å²	124	44.1 Å²	44.1	65%	0.649	23%	0.23	S	C	*	.	H	α-helix	trans	-60.8	-26.3	175.7	-104.7	144.9	0	0	0	112.2	E460	E460-L464 WeakPolarHBondContact O-CB 3.25Å; E460-L464 PolarHBondContact O-N 3Å
465	V	41.3	Very low	50.6	Low	9 Å²	9	47.4 Å²	47.4	6%	0.055	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	63	-174.3	-173.6	0	0	0	0	107.1	I461 Q463 S467 V469 D471	I461-V465 VanDerWaalsContact O-CB 3.31Å; I461-V465 WeakPolarHBondContact O-CB 3.39Å; I461-V465 WeakPolarHBondContact O-CG2 3.48Å; Q463-V465 PolarHBondContact O-N 3.02Å; V465-S467 WeakPolarHBondContact CG1-OG 3.34Å; V465-S467 WeakPolarHBondContact O-CA 3.46Å; V465-S467 PolarHBondContact O-N 2.88Å; V465-S467 PolarHBondContact O-OG 2.61Å; V465-V469 WeakPolarHBondContact CG1-O 3.41Å; V465-D471 HydrophobicContact CG2-CB 3.79Å; V465-D471 WeakPolarHBondContact CG2-OD1 3.32Å; V465-D471 VanDerWaalsContact CG2-OD2 3.3Å; V465-D471 WeakPolarHBondContact CG2-OD2 3.36Å
466	D	41.9	Very low	48.5	Very low	136 Å²	136	49.8 Å²	49.8	73%	0.727	27%	0.268	S	S	*	.			trans	-65	50.1	-179.2	-142.6	16.9	0	0	0	112.2
467	S	45.9	Very low	46.4	Very low	27 Å²	27	57.8 Å²	57.8	19%	0.189	30%	0.302	C	S	.	.	S	Bend	trans	-146.3	136.6	-154.4	101.5	0	0	0	0	102.8	N194 V465 V469	N194-S467 VanDerWaalsContact CG-OG 3.29Å; N194-S467 WeakPolarHBondContact ND2-CB 3.46Å; N194-S467 PolarHBondContact ND2-OG 3.07Å; N194-S467 PolarHBondContact OD1-OG 3.26Å; V465-S467 WeakPolarHBondContact CG1-OG 3.34Å; V465-S467 WeakPolarHBondContact O-CA 3.46Å; V465-S467 PolarHBondContact O-N 2.88Å; V465-S467 PolarHBondContact O-OG 2.61Å; S467-V469 CarbonylContact O-C 3.6Å; S467-V469 PolarHBondContact O-N 3.12Å; S467-V469 PolarHBondContact OG-O 3.27Å
468	V	48.2	Very low	45.1	Very low	13 Å²	13	60.8 Å²	60.8	8%	0.079	32%	0.315	C	S	.	.	S	Bend	trans	-49.9	-32.4	-170.8	-177.2	0	0	0	0	112.6	N194 L197 L201	N194-V468 PolarHBondContact OD1-N 2.84Å; L197-V468 HydrophobicContact CB-CB 4.02Å; L197-V468 HydrophobicContact CB-CG1 4.05Å; L197-V468 HydrophobicContact CB-CG2 3.95Å; L197-V468 HydrophobicContact CD1-CB 3.84Å; L197-V468 HydrophobicContact CD1-CG1 3.71Å; L197-V468 HydrophobicContact CG-CG1 4.41Å; L201-V468 HydrophobicContact CB-CG1 4.38Å; L201-V468 HydrophobicContact CD1-CG1 3.42Å; L201-V468 VanDerWaalsContact CD1-CG1 3.42Å; L201-V468 HydrophobicContact CD2-CB 4.2Å; L201-V468 HydrophobicContact CD2-CG1 3.41Å; L201-V468 VanDerWaalsContact CD2-CG1 3.41Å; L201-V468 HydrophobicContact CD2-CG2 3.79Å; L201-V468 HydrophobicContact CG-CG1 3.88Å
469	V	46.6	Very low	44.4	Very low	0 Å²	0	60 Å²	60	0%	0	31%	0.313	C	S	.	.	S	Bend	trans	-95.2	99.2	173.5	-172.7	0	0	0	0	108.7	L141 L144 L193 N194 L197 V465 S467 W472	L141-V469 HydrophobicContact CD2-CG1 3.67Å; L141-V469 HydrophobicContact CD2-CG2 4.32Å; L144-V469 HydrophobicContact CD2-CG2 3.73Å; L193-V469 HydrophobicContact CD2-CG2 3.65Å; L193-V469 HydrophobicContact CG-CG2 3.89Å; N194-V469 PolarHBondContact OD1-N 3.48Å; N194-V469 VanDerWaalsContact OD1-N 3.09Å; L197-V469 HydrophobicContact CD1-CG2 3.58Å; V465-V469 WeakPolarHBondContact CG1-O 3.41Å; S467-V469 CarbonylContact O-C 3.6Å; S467-V469 PolarHBondContact O-N 3.12Å; S467-V469 PolarHBondContact OG-O 3.27Å; V469-W472 HydrophobicContact CG1-CG 4.44Å
470	E	41.8	Very low	44.6	Very low	48 Å²	48	61.6 Å²	61.6	22%	0.224	32%	0.321	C	S	.	.			trans	-53.1	162	174.3	-64.4	-179.5	173.1	0	0	110.9	R203 A462 W472	R203-E470 IonicContact CZ-OE1 2.92Å; R203-E470 VanDerWaalsContact CZ-OE1 3.26Å; R203-E470 IonicContact NH1-OE1 3.2Å; R203-E470 PolarHBondContact NH1-OE1 3.42Å; R203-E470 IonicContact NH2-OE1 2.77Å; R203-E470 PolarHBondContact NH2-OE1 3.39Å; A462-E470 HydrophobicContact CB-CB 4.27Å; A462-E470 VanDerWaalsContact CB-CD 3.44Å; A462-E470 HydrophobicContact CB-CG 3.8Å; E470-W472 PolarHBondContact O-N 2.97Å; E470-W472 VanDerWaalsContact O-N 3.08Å
471	D	39	Very low	45.2	Very low	49 Å²	49	65.9 Å²	65.9	26%	0.262	35%	0.348	S	S	.	.			trans	-59.4	120.9	171.3	-106.9	-14	0	0	0	109	R190 I461 V465 S473	R190-D471 IonicContact CZ-OD1 2.75Å; R190-D471 IonicContact NH1-OD1 2.79Å; R190-D471 PolarHBondContact NH1-OD1 3.41Å; R190-D471 VanDerWaalsContact NH1-OD1 3.07Å; R190-D471 IonicContact NH2-OD1 2.88Å; I461-D471 HydrophobicContact CB-CB 3.63Å; I461-D471 HydrophobicContact CD1-CB 4.39Å; I461-D471 HydrophobicContact CG1-CB 3.64Å; I461-D471 HydrophobicContact CG2-CB 3.31Å; I461-D471 WeakPolarHBondContact CG2-O 3.48Å; I461-D471 PolarHBondContact O-N 2.97Å; V465-D471 HydrophobicContact CG2-CB 3.79Å; V465-D471 WeakPolarHBondContact CG2-OD1 3.32Å; V465-D471 VanDerWaalsContact CG2-OD2 3.3Å; V465-D471 WeakPolarHBondContact CG2-OD2 3.36Å; D471-S473 PolarHBondContact O-N 2.92Å
472	W	41.8	Very low	46.3	Very low	10 Å²	10	69.5 Å²	69.5	4%	0.038	36%	0.364	C	S	.	.			trans	-88.2	82	-170.7	-95.2	30.8	0	0	0	109.6	V137 N139 N140 L141 I170 L171 V469 E470 V474	V137-W472 HydrophobicContact CG1-CZ2 3.52Å; N139-W472 WeakPolarHBondContact O-CH2 3.35Å; N140-W472 HydrophobicContact CB-CH2 4.26Å; L141-W472 HydrophobicContact CB-CD2 4.34Å; L141-W472 HydrophobicContact CB-CE3 3.89Å; L141-W472 HydrophobicContact CB-CH2 4.04Å; L141-W472 HydrophobicContact CB-CZ2 4.19Å; L141-W472 HydrophobicContact CB-CZ3 3.65Å; L141-W472 HydrophobicContact CD1-CD2 3.73Å; L141-W472 HydrophobicContact CD1-CE3 3.35Å; L141-W472 HydrophobicContact CD1-CZ3 3.97Å; L141-W472 HydrophobicContact CD2-CD2 4.36Å; L141-W472 HydrophobicContact CG-CD2 3.44Å; L141-W472 VanDerWaalsContact CG-CD2 3.44Å; L141-W472 HydrophobicContact CG-CE3 3.32Å; L141-W472 HydrophobicContact CG-CG 4.45Å; L141-W472 HydrophobicContact CG-CH2 4.11Å; L141-W472 HydrophobicContact CG-CZ2 3.97Å; L141-W472 HydrophobicContact CG-CZ3 3.64Å; I170-W472 HydrophobicContact CG2-CB 4.37Å; L171-W472 HydrophobicContact CD2-CE3 4.22Å; V469-W472 HydrophobicContact CG1-CG 4.44Å; E470-W472 PolarHBondContact O-N 2.97Å; E470-W472 VanDerWaalsContact O-N 3.08Å; W472-V474 HydrophobicContact CB-CB 4.34Å; W472-V474 HydrophobicContact CB-CG2 3.8Å; W472-V474 HydrophobicContact CD2-CB 4Å; W472-V474 HydrophobicContact CD2-CG2 3.34Å; W472-V474 HydrophobicContact CE3-CB 3.45Å; W472-V474 VanDerWaalsContact CE3-CB 3.45Å; W472-V474 HydrophobicContact CE3-CG1 4.03Å; W472-V474 HydrophobicContact CE3-CG2 3.36Å; W472-V474 HydrophobicContact CG-CB 4.44Å; W472-V474 HydrophobicContact CG-CG2 3.62Å; W472-V474 HydrophobicContact CH2-CB 3.59Å; W472-V474 HydrophobicContact CH2-CG1 3.44Å; W472-V474 VanDerWaalsContact CH2-CG1 3.44Å; W472-V474 HydrophobicContact CH2-CG2 3.18Å; W472-V474 HydrophobicContact CZ2-CB 4.43Å; W472-V474 HydrophobicContact CZ2-CG2 3.57Å; W472-V474 HydrophobicContact CZ3-CB 3.31Å; W472-V474 HydrophobicContact CZ3-CG1 3.33Å; W472-V474 HydrophobicContact CZ3-CG2 3.37Å; W472-V474 PolarHBondContact O-N 3.25Å
473	S	38.1	Very low	47.5	Very low	38 Å²	38	72 Å²	72	27%	0.266	38%	0.376	S	S	.	.			trans	-71.5	56.3	154.3	70.8	0	0	0	0	109.1	D471 N475	D471-S473 PolarHBondContact O-N 2.92Å; S473-N475 VanDerWaalsContact C-N 3.29Å; S473-N475 PolarHBondContact O-N 3Å
474	V	31.8	Very low	49	Very low	37 Å²	37	67.6 Å²	67.6	22%	0.224	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	77	-178.7	-176.9	0	0	0	0	108	N139 L171 W472	N139-V474 WeakPolarHBondContact O-CG1 3.47Å; L171-V474 HydrophobicContact CD2-CB 4.32Å; W472-V474 HydrophobicContact CB-CB 4.34Å; W472-V474 HydrophobicContact CB-CG2 3.8Å; W472-V474 HydrophobicContact CD2-CB 4Å; W472-V474 HydrophobicContact CD2-CG2 3.34Å; W472-V474 HydrophobicContact CE3-CB 3.45Å; W472-V474 VanDerWaalsContact CE3-CB 3.45Å; W472-V474 HydrophobicContact CE3-CG1 4.03Å; W472-V474 HydrophobicContact CE3-CG2 3.36Å; W472-V474 HydrophobicContact CG-CB 4.44Å; W472-V474 HydrophobicContact CG-CG2 3.62Å; W472-V474 HydrophobicContact CH2-CB 3.59Å; W472-V474 HydrophobicContact CH2-CG1 3.44Å; W472-V474 VanDerWaalsContact CH2-CG1 3.44Å; W472-V474 HydrophobicContact CH2-CG2 3.18Å; W472-V474 HydrophobicContact CZ2-CB 4.43Å; W472-V474 HydrophobicContact CZ2-CG2 3.57Å; W472-V474 HydrophobicContact CZ3-CB 3.31Å; W472-V474 HydrophobicContact CZ3-CG1 3.33Å; W472-V474 HydrophobicContact CZ3-CG2 3.37Å; W472-V474 PolarHBondContact O-N 3.25Å
475	N	35.3	Very low	51.2	Low	117 Å²	117	66.1 Å²	66.1	63%	0.626	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-169.5	26.5	144.4	-100.1	-23.7	0	0	0	113.1	S473 F477 K478	S473-N475 VanDerWaalsContact C-N 3.29Å; S473-N475 PolarHBondContact O-N 3Å; N475-F477 PolarHBondContact O-N 3.41Å; N475-K478 PolarHBondContact O-N 3.45Å
476	C	36.8	Very low	53.1	Low	58 Å²	58	70.2 Å²	70.2	39%	0.392	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	6.1	176.9	-79.4	0	0	0	0	115.9
477	F	37.7	Very low	55	Low	189 Å²	189	64 Å²	64	83%	0.829	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-13.5	164	-80.6	-70.8	0	0	0	113.8	N475 I479	N475-F477 PolarHBondContact O-N 3.41Å; F477-I479 PolarHBondContact O-N 3.38Å; F477-I479 VanDerWaalsContact O-N 3.14Å
478	K	46.9	Very low	56.9	Low	176 Å²	176	62.9 Å²	62.9	77%	0.765	32%	0.324	S	S	*	.	S	Bend	trans	-84.6	76.3	153.8	-72	-168.1	179.5	-176.9	0	107	N475 S480	N475-K478 PolarHBondContact O-N 3.45Å; K478-S480 PolarHBondContact O-N 3.3Å
479	I	55.1	Low	58.7	Low	44 Å²	44	63.7 Å²	63.7	23%	0.226	33%	0.332	C	S	.	.			trans	-56.7	109.7	161.2	-59.5	177.3	0	0	0	104.4	F477 D483 L484 I487	F477-I479 PolarHBondContact O-N 3.38Å; F477-I479 VanDerWaalsContact O-N 3.14Å; I479-D483 HydrophobicContact CG2-CB 3.54Å; I479-L484 HydrophobicContact CB-CD1 4.3Å; I479-L484 HydrophobicContact CG2-CB 3.79Å; I479-L484 HydrophobicContact CG2-CD1 3.8Å; I479-L484 HydrophobicContact CG2-CG 4.31Å; I479-I487 HydrophobicContact CD1-CD1 4.17Å; I479-I487 HydrophobicContact CG2-CD1 3.87Å
480	S	67.3	Low	60.8	Low	51 Å²	51	65.6 Å²	65.6	36%	0.357	34%	0.343	S	S	.	.			trans	-58.7	156.5	174.7	66.8	0	0	0	0	108.5	K478 E482 D483 L484	K478-S480 PolarHBondContact O-N 3.3Å; S480-E482 PolarHBondContact O-N 3.22Å; S480-E482 VanDerWaalsContact O-N 3.15Å; S480-D483 WeakPolarHBondContact CB-OD2 3.47Å; S480-D483 PolarHBondContact N-OD2 3.14Å; S480-D483 WeakPolarHBondContact O-CB 3.34Å; S480-D483 PolarHBondContact O-N 2.93Å; S480-D483 VanDerWaalsContact O-N 3.07Å; S480-D483 WeakPolarHBondContact OG-CB 3.49Å; S480-D483 PolarHBondContact OG-N 3.06Å; S480-D483 PolarHBondContact OG-OD2 2.78Å; S480-L484 PolarHBondContact O-N 3.07Å
481	V	71.5	Confident	63.1	Low	101 Å²	101	67.5 Å²	67.5	61%	0.612	35%	0.35	S	S	*	.	H	α-helix	trans	-55.7	-34.7	176.2	176.6	0	0	0	0	110.5	L484 K485	V481-L484 WeakPolarHBondContact O-CB 3.48Å; V481-L484 PolarHBondContact O-N 2.98Å; V481-K485 WeakPolarHBondContact O-CG 3.34Å; V481-K485 PolarHBondContact O-N 3.36Å
482	E	73.7	Confident	65.5	Low	107 Å²	107	70 Å²	70	50%	0.5	36%	0.363	S	S	.	.	H	α-helix	trans	-69.5	-41.4	176.6	-136.4	59.3	-143	0	0	112.9	S480 L484 K485 N486	S480-E482 PolarHBondContact O-N 3.22Å; S480-E482 VanDerWaalsContact O-N 3.15Å; E482-L484 VanDerWaalsContact C-N 3.26Å; E482-L484 PolarHBondContact O-N 3.45Å; E482-K485 PolarHBondContact O-N 3.15Å; E482-K485 WeakPolarHBondContact OE1-CD 3.28Å; E482-K485 IonicContact OE1-NZ 2.96Å; E482-K485 PolarHBondContact OE1-NZ 3.43Å; E482-K485 VanDerWaalsContact OE1-NZ 3.1Å; E482-K485 IonicContact OE2-NZ 2.59Å; E482-K485 PolarHBondContact OE2-NZ 2.89Å; E482-N486 PolarHBondContact O-N 3.32Å; E482-N486 PolarHBondContact O-ND2 2.94Å
483	D	74.2	Confident	67.7	Low	65 Å²	65	76.9 Å²	76.9	35%	0.348	40%	0.4	S	S	.	.	H	α-helix	trans	-61.1	-39.2	171.5	-70.3	-49.9	0	0	0	111.4	I479 S480 N486 I487	I479-D483 HydrophobicContact CG2-CB 3.54Å; S480-D483 WeakPolarHBondContact CB-OD2 3.47Å; S480-D483 PolarHBondContact N-OD2 3.14Å; S480-D483 WeakPolarHBondContact O-CB 3.34Å; S480-D483 PolarHBondContact O-N 2.93Å; S480-D483 VanDerWaalsContact O-N 3.07Å; S480-D483 WeakPolarHBondContact OG-CB 3.49Å; S480-D483 PolarHBondContact OG-N 3.06Å; S480-D483 PolarHBondContact OG-OD2 2.78Å; D483-N486 PolarHBondContact O-N 3.32Å; D483-I487 WeakPolarHBondContact O-CB 3.45Å; D483-I487 WeakPolarHBondContact O-CD1 3.18Å; D483-I487 WeakPolarHBondContact O-CG1 3.37Å; D483-I487 PolarHBondContact O-N 3.4Å
484	L	78.9	Confident	70	Confident	20 Å²	20	75.7 Å²	75.7	11%	0.105	39%	0.391	C	S	.	.	H	α-helix	trans	-65.8	-43	179.1	-155	110.8	0	0	0	110.2	M244 W255 H256 I479 S480 V481 E482 N486 I487 L488	M244-L484 HydrophobicContact CG-CD2 4.31Å; M244-L484 HydrophobicContact SD-CD2 3.72Å; W255-L484 HydrophobicContact CH2-CD2 3.9Å; W255-L484 HydrophobicContact CZ2-CD2 4.42Å; H256-L484 HydrophobicContact CB-CD1 4.1Å; H256-L484 HydrophobicContact CB-CD2 4.38Å; I479-L484 HydrophobicContact CB-CD1 4.3Å; I479-L484 HydrophobicContact CG2-CB 3.79Å; I479-L484 HydrophobicContact CG2-CD1 3.8Å; I479-L484 HydrophobicContact CG2-CG 4.31Å; S480-L484 PolarHBondContact O-N 3.07Å; V481-L484 WeakPolarHBondContact O-CB 3.48Å; V481-L484 PolarHBondContact O-N 2.98Å; E482-L484 VanDerWaalsContact C-N 3.26Å; E482-L484 PolarHBondContact O-N 3.45Å; L484-N486 VanDerWaalsContact C-N 3.32Å; L484-N486 PolarHBondContact O-N 3Å; L484-I487 PolarHBondContact O-N 3.32Å; L484-L488 HydrophobicContact CD2-CD1 3.51Å; L484-L488 HydrophobicContact CG-CD1 3.93Å; L484-L488 VanDerWaalsContact O-CB 3.32Å; L484-L488 WeakPolarHBondContact O-CB 3.48Å; L484-L488 WeakPolarHBondContact O-CD1 3.26Å; L484-L488 WeakPolarHBondContact O-CG 3.26Å; L484-L488 PolarHBondContact O-N 2.88Å
485	K	81.8	Confident	72.6	Confident	94 Å²	94	76 Å²	76	41%	0.409	40%	0.395	S	S	.	.	H	α-helix	trans	-58.6	-43.5	173.5	-73.1	171.5	-174.2	164.9	0	111.8	M244 V481 E482 L488 A489	M244-K485 HydrophobicContact CE-CG 4.36Å; M244-K485 HydrophobicContact SD-CG 4.13Å; V481-K485 WeakPolarHBondContact O-CG 3.34Å; V481-K485 PolarHBondContact O-N 3.36Å; E482-K485 PolarHBondContact O-N 3.15Å; E482-K485 WeakPolarHBondContact OE1-CD 3.28Å; E482-K485 IonicContact OE1-NZ 2.96Å; E482-K485 PolarHBondContact OE1-NZ 3.43Å; E482-K485 VanDerWaalsContact OE1-NZ 3.1Å; E482-K485 IonicContact OE2-NZ 2.59Å; E482-K485 PolarHBondContact OE2-NZ 2.89Å; K485-L488 PolarHBondContact O-N 2.99Å; K485-A489 PolarHBondContact O-N 3.15Å; K485-A489 VanDerWaalsContact O-N 3.15Å
486	N	81.3	Confident	75.2	Confident	95 Å²	95	70.5 Å²	70.5	51%	0.508	37%	0.366	S	S	.	.	H	α-helix	trans	-65.3	-43.9	177.7	-75.2	-27.4	0	0	0	112	E482 D483 L484 L488 A489	E482-N486 PolarHBondContact O-N 3.32Å; E482-N486 PolarHBondContact O-ND2 2.94Å; D483-N486 PolarHBondContact O-N 3.32Å; L484-N486 VanDerWaalsContact C-N 3.32Å; L484-N486 PolarHBondContact O-N 3Å; N486-L488 VanDerWaalsContact C-N 3.3Å; N486-L488 PolarHBondContact O-N 3.44Å; N486-A489 WeakPolarHBondContact O-CB 3.23Å; N486-A489 PolarHBondContact O-N 3.3Å
487	I	82.6	Confident	77.6	Confident	4 Å²	4	68 Å²	68	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-63.1	-38.1	177.6	-70.4	162.6	0	0	0	111.7	L260 W415 I447 C450 R454 I479 D483 L484 A489	L260-I487 HydrophobicContact CD2-CG2 3.43Å; L260-I487 VanDerWaalsContact CD2-CG2 3.43Å; W415-I487 HydrophobicContact CH2-CD1 4.35Å; I447-I487 HydrophobicContact CD1-CG2 3.98Å; I447-I487 HydrophobicContact CG1-CG2 3.91Å; C450-I487 HydrophobicContact CB-CG1 4.35Å; R454-I487 VanDerWaalsContact NH2-CD1 3.26Å; I479-I487 HydrophobicContact CD1-CD1 4.17Å; I479-I487 HydrophobicContact CG2-CD1 3.87Å; D483-I487 WeakPolarHBondContact O-CB 3.45Å; D483-I487 WeakPolarHBondContact O-CD1 3.18Å; D483-I487 WeakPolarHBondContact O-CG1 3.37Å; D483-I487 PolarHBondContact O-N 3.4Å; L484-I487 PolarHBondContact O-N 3.32Å; I487-A489 VanDerWaalsContact C-N 3.28Å; I487-A489 PolarHBondContact O-N 3.07Å
488	L	84.5	Confident	80.1	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.021	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	1.4	-178.3	-63.6	170.4	0	0	0	112.7	V237 A240 M244 W255 M259 L260 M263 L484 K485 N486	V237-L488 WeakPolarHBondContact CG1-O 3.18Å; V237-L488 WeakPolarHBondContact CG2-O 3.45Å; A240-L488 HydrophobicContact CB-CD1 4.06Å; A240-L488 HydrophobicContact CB-CD2 4.4Å; M244-L488 HydrophobicContact CE-CD1 3.65Å; M244-L488 HydrophobicContact SD-CD1 4.2Å; W255-L488 HydrophobicContact CH2-CD1 4.42Å; M259-L488 HydrophobicContact CB-CD2 4.39Å; L260-L488 HydrophobicContact CD2-CD2 4.05Å; M263-L488 HydrophobicContact CE-CB 4.17Å; M263-L488 HydrophobicContact CE-CD2 3.44Å; M263-L488 VanDerWaalsContact CE-CD2 3.44Å; M263-L488 HydrophobicContact CE-CG 4.41Å; M263-L488 HydrophobicContact SD-CD2 3.64Å; L484-L488 HydrophobicContact CD2-CD1 3.51Å; L484-L488 HydrophobicContact CG-CD1 3.93Å; L484-L488 VanDerWaalsContact O-CB 3.32Å; L484-L488 WeakPolarHBondContact O-CB 3.48Å; L484-L488 WeakPolarHBondContact O-CD1 3.26Å; L484-L488 WeakPolarHBondContact O-CG 3.26Å; L484-L488 PolarHBondContact O-N 2.88Å; K485-L488 PolarHBondContact O-N 2.99Å; N486-L488 VanDerWaalsContact C-N 3.3Å; N486-L488 PolarHBondContact O-N 3.44Å
489	A	86.5	Confident	82.1	Confident	30 Å²	30	51.8 Å²	51.8	25%	0.248	28%	0.279	C	S	.	.			trans	-78.9	156.2	177.2	0	0	0	0	0	111.7	K485 N486 I487	K485-A489 PolarHBondContact O-N 3.15Å; K485-A489 VanDerWaalsContact O-N 3.15Å; N486-A489 WeakPolarHBondContact O-CB 3.23Å; N486-A489 PolarHBondContact O-N 3.3Å; I487-A489 VanDerWaalsContact C-N 3.28Å; I487-A489 PolarHBondContact O-N 3.07Å
490	L	90	Very high	83.6	Confident	41 Å²	41	54.2 Å²	54.2	22%	0.215	29%	0.292	C	S	.	.			trans	-118.7	121.7	167.8	179.9	66.6	0	0	0	107.8	V230 Y233 G445 T446 L492	V230-L490 HydrophobicContact CG1-CD2 4.38Å; Y233-L490 HydrophobicContact CD1-CB 3.8Å; Y233-L490 HydrophobicContact CD1-CD1 3.89Å; Y233-L490 HydrophobicContact CD1-CD2 4.07Å; Y233-L490 HydrophobicContact CD1-CG 4.13Å; Y233-L490 HydrophobicContact CE1-CB 3.91Å; Y233-L490 HydrophobicContact CE1-CD1 4.15Å; Y233-L490 HydrophobicContact CG-CD1 4.23Å; Y233-L490 HydrophobicContact CG-CD2 4.48Å; G445-L490 WeakPolarHBondContact O-CA 3.4Å; T446-L490 HydrophobicContact CG2-CD1 3.92Å; L490-L492 HydrophobicContact CD1-CD2 4.09Å; L490-L492 HydrophobicContact CD2-CD1 4.23Å; L490-L492 HydrophobicContact CD2-CD2 4.08Å; L490-L492 HydrophobicContact CD2-CG 4.18Å; L490-L492 HydrophobicContact CG-CD2 3.97Å; L490-L492 HydrophobicContact CG-CG 4.07Å
491	K	90.3	Very high	84.3	Confident	88 Å²	88	57.1 Å²	57.1	38%	0.383	30%	0.303	S	S	.	.			trans	-111.6	111.3	178.4	-60.6	-177.5	-179.6	-176.4	0	109.5	G445 T494 A497	G445-K491 VanDerWaalsContact CA-O 3.32Å; G445-K491 WeakPolarHBondContact CA-O 3.5Å; G445-K491 PolarHBondContact O-N 3.04Å; K491-T494 HydrophobicContact CB-CG2 3.89Å; K491-A497 HydrophobicContact CD-CB 4.04Å
492	L	88.9	Confident	84.7	Confident	102 Å²	102	52.4 Å²	52.4	53%	0.534	28%	0.275	S	S	.	.			trans	-103.9	-17.6	-177.5	-61.9	174.7	0	0	0	112.7	P225 V230 L490 T494	P225-L492 HydrophobicContact CG-CD2 4.21Å; V230-L492 HydrophobicContact CG1-CD1 3.65Å; V230-L492 HydrophobicContact CG1-CD2 4.29Å; V230-L492 HydrophobicContact CG2-CD2 3.83Å; L490-L492 HydrophobicContact CD1-CD2 4.09Å; L490-L492 HydrophobicContact CD2-CD1 4.23Å; L490-L492 HydrophobicContact CD2-CD2 4.08Å; L490-L492 HydrophobicContact CD2-CG 4.18Å; L490-L492 HydrophobicContact CG-CD2 3.97Å; L490-L492 HydrophobicContact CG-CG 4.07Å; L492-T494 PolarHBondContact O-N 3.5Å
493	D	88.1	Confident	84.9	Confident	153 Å²	153	51.2 Å²	51.2	82%	0.818	28%	0.283	S	S	*	.	S	Bend	trans	-84	16.3	-177.8	58.9	-37	0	0	0	113.2
494	T	87.2	Confident	84.9	Confident	13 Å²	13	49.3 Å²	49.3	8%	0.08	28%	0.275	C	S	.	.			trans	-131.3	145.8	-179.4	179.2	0	0	0	0	111.5	K491 L492 C496 A497 D500	K491-T494 HydrophobicContact CB-CG2 3.89Å; L492-T494 PolarHBondContact O-N 3.5Å; T494-C496 PolarHBondContact OG1-N 2.96Å; T494-C496 PolarHBondContact OG1-O 3.48Å; T494-A497 HydrophobicContact CG2-CB 4.09Å; T494-A497 PolarHBondContact OG1-N 2.93Å; T494-D500 WeakPolarHBondContact CB-OD2 3.38Å; T494-D500 PolarHBondContact OG1-OD2 3.4Å
495	C	85.7	Confident	84.6	Confident	45 Å²	45	53.4 Å²	53.4	30%	0.304	30%	0.304	S	S	.	.	S	Bend	trans	-79.8	-26.4	167.5	-62.6	0	0	0	0	111.6	T444 S557	T444-C495 VanDerWaalsContact CG2-O 3.3Å; T444-C495 WeakPolarHBondContact CG2-O 3.42Å; C495-S557 WeakPolarHBondContact O-CB 3.23Å; C495-S557 PolarHBondContact O-OG 3.26Å
496	C	90.3	Very high	84.3	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.007	29%	0.29	C	S	.	.			trans	-167.2	107.9	176.1	178.2	0	0	0	0	110	F222 E449 T494 T498 H499 D500 F558	F222-C496 HydrophobicContact CD1-CB 4.41Å; F222-C496 VanDerWaalsContact CE1-SG 3.54Å; E449-C496 PolarHBondContact OE1-SG 2.93Å; T494-C496 PolarHBondContact OG1-N 2.96Å; T494-C496 PolarHBondContact OG1-O 3.48Å; C496-T498 PolarHBondContact O-N 3.46Å; C496-H499 HydrophobicContact CB-CB 3.79Å; C496-H499 WeakPolarHBondContact O-CB 3.48Å; C496-H499 PolarHBondContact O-N 3.15Å; C496-H499 PolarHBondContact SG-N 3.36Å; C496-D500 PolarHBondContact O-N 3.06Å; C496-D500 VanDerWaalsContact O-N 3.11Å; C496-F558 HydrophobicContact CB-CB 3.72Å; C496-F558 HydrophobicContact CB-CD1 4.11Å; C496-F558 HydrophobicContact CB-CD2 4.23Å; C496-F558 HydrophobicContact CB-CG 3.77Å
497	A	88.4	Confident	83.7	Confident	5 Å²	5	49.4 Å²	49.4	4%	0.041	29%	0.288	C	S	.	.	H	α-helix	trans	-62.2	-27.2	178.8	0	0	0	0	0	112.6	E449 K491 T494 D500 L501	E449-A497 HydrophobicContact CG-CB 4.34Å; E449-A497 PolarHBondContact OE1-N 2.92Å; E449-A497 WeakPolarHBondContact OE2-CB 3.42Å; E449-A497 PolarHBondContact OE2-N 3.32Å; K491-A497 HydrophobicContact CD-CB 4.04Å; T494-A497 HydrophobicContact CG2-CB 4.09Å; T494-A497 PolarHBondContact OG1-N 2.93Å; A497-D500 PolarHBondContact O-N 3.48Å; A497-L501 VanDerWaalsContact O-CG 3.3Å; A497-L501 WeakPolarHBondContact O-CG 3.08Å; A497-L501 PolarHBondContact O-N 3.43Å
498	T	88.6	Confident	82.7	Confident	8 Å²	8	49.2 Å²	49.2	5%	0.049	29%	0.287	C	S	.	.	H	α-helix	trans	-67.5	-39.6	175.8	-51.3	0	0	0	0	110.9	E449 F452 Q453 C496 L501 L502 L528	E449-T498 WeakPolarHBondContact CG-OG1 3.46Å; E449-T498 WeakPolarHBondContact OE1-CB 3.19Å; E449-T498 PolarHBondContact OE1-N 3.46Å; E449-T498 PolarHBondContact OE1-OG1 3.42Å; F452-T498 HydrophobicContact CD1-CG2 4.2Å; F452-T498 HydrophobicContact CE1-CG2 4.19Å; Q453-T498 HydrophobicContact CG-CG2 3.87Å; Q453-T498 WeakPolarHBondContact CG-OG1 3.37Å; Q453-T498 PolarHBondContact NE2-OG1 3.1Å; C496-T498 PolarHBondContact O-N 3.46Å; T498-L501 PolarHBondContact O-N 3.02Å; T498-L502 WeakPolarHBondContact O-CG 3.32Å; T498-L502 PolarHBondContact O-N 2.84Å; T498-L528 HydrophobicContact CG2-CD2 4.17Å
499	H	88.5	Confident	81.4	Confident	17 Å²	17	51 Å²	51	8%	0.079	30%	0.298	C	S	.	.	H	α-helix	trans	-66.6	-41.5	174.8	-173.9	-91.1	0	0	0	111.2	C496 L501 L502 C504 C506 H533 F558 F560	C496-H499 HydrophobicContact CB-CB 3.79Å; C496-H499 WeakPolarHBondContact O-CB 3.48Å; C496-H499 PolarHBondContact O-N 3.15Å; C496-H499 PolarHBondContact SG-N 3.36Å; H499-L501 VanDerWaalsContact C-N 3.29Å; H499-L501 PolarHBondContact O-N 3.29Å; H499-L502 WeakPolarHBondContact O-CB 3.16Å; H499-L502 PolarHBondContact O-N 3.35Å; H499-L502 VanDerWaalsContact O-N 3.09Å; H499-C504 WeakPolarHBondContact NE2-CB 3.49Å; H499-C506 PolarHBondContact CE1-O 2.79Å; H499-C506 PolarHBondContact NE2-SG 3.2Å; H499-H533 AromaticContact CD2-CE1 3.86Å; H499-H533 AromaticContact CD2-ND1 3.24Å; H499-H533 PolarHBondContact CD2-ND1 3.36Å; H499-H533 AromaticContact NE2-CE1 3.95Å; H499-H533 AromaticContact NE2-ND1 3.14Å; H499-H533 PolarHBondContact NE2-ND1 2.98Å; H499-H533 VanDerWaalsContact NE2-ND1 3.14Å; H499-F558 HydrophobicContact CB-CE1 4.41Å; H499-F558 HydrophobicContact CB-CE2 4.49Å; H499-F558 HydrophobicContact CB-CZ 4.18Å; H499-F558 AromaticContact CD2-CZ 3.38Å; H499-F558 WeakPolarHBondContact CD2-CZ 3.49Å; H499-F558 AromaticContact CG-CZ 3.74Å; H499-F558 AromaticContact NE2-CZ 3.99Å; H499-F560 HydrophobicContact CB-CZ 3.9Å
500	D	86.8	Confident	79.6	Confident	94 Å²	94	53.2 Å²	53.2	50%	0.503	31%	0.308	S	S	.	.	H	α-helix	trans	-61.8	-39.2	177	-56.3	-22.9	0	0	0	111.7	T494 C496 A497 L502 A503	T494-D500 WeakPolarHBondContact CB-OD2 3.38Å; T494-D500 PolarHBondContact OG1-OD2 3.4Å; C496-D500 PolarHBondContact O-N 3.06Å; C496-D500 VanDerWaalsContact O-N 3.11Å; A497-D500 PolarHBondContact O-N 3.48Å; D500-L502 VanDerWaalsContact C-N 3.27Å; D500-L502 PolarHBondContact O-N 2.99Å; D500-A503 PolarHBondContact O-N 3.01Å; D500-A503 VanDerWaalsContact O-N 3.1Å
501	L	83.5	Confident	77.6	Confident	112 Å²	112	58.8 Å²	58.8	59%	0.586	33%	0.334	S	S	*	.	H	α-helix	trans	-67	-24.9	175.8	-74.1	172.8	0	0	0	113.8	Q453 A497 T498 H499 A503	Q453-L501 VanDerWaalsContact CD-CD1 3.49Å; Q453-L501 HydrophobicContact CG-CD1 4.31Å; A497-L501 VanDerWaalsContact O-CG 3.3Å; A497-L501 WeakPolarHBondContact O-CG 3.08Å; A497-L501 PolarHBondContact O-N 3.43Å; T498-L501 PolarHBondContact O-N 3.02Å; H499-L501 VanDerWaalsContact C-N 3.29Å; H499-L501 PolarHBondContact O-N 3.29Å; L501-A503 PolarHBondContact O-N 3.13Å
502	L	80	Confident	75.7	Confident	3 Å²	3	60.9 Å²	60.9	2%	0.016	34%	0.344	C	S	.	.	H	α-helix	trans	-70.4	-18.4	173.7	-73.4	166.5	0	0	0	112.1	T498 H499 D500 C504 C523 A525 L528 F560	T498-L502 WeakPolarHBondContact O-CG 3.32Å; T498-L502 PolarHBondContact O-N 2.84Å; H499-L502 WeakPolarHBondContact O-CB 3.16Å; H499-L502 PolarHBondContact O-N 3.35Å; H499-L502 VanDerWaalsContact O-N 3.09Å; D500-L502 VanDerWaalsContact C-N 3.27Å; D500-L502 PolarHBondContact O-N 2.99Å; L502-C504 HydrophobicContact CB-CB 4.49Å; L502-C504 PolarHBondContact O-N 2.92Å; L502-C504 VanDerWaalsContact O-N 3.14Å; L502-C523 PolarHBondContact O-SG 3.33Å; L502-A525 HydrophobicContact CD2-CB 3.35Å; L502-A525 HydrophobicContact CG-CB 4.44Å; L502-L528 HydrophobicContact CD1-CB 4.42Å; L502-L528 HydrophobicContact CD1-CD2 4.17Å; L502-F560 HydrophobicContact CD1-CE1 3.97Å; L502-F560 HydrophobicContact CD1-CZ 4.23Å
503	A	76	Confident	73.4	Confident	82 Å²	82	65.2 Å²	65.2	68%	0.678	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	36.2	-168.9	0	0	0	0	0	112.2	D500 L501	D500-A503 PolarHBondContact O-N 3.01Å; D500-A503 VanDerWaalsContact O-N 3.1Å; L501-A503 PolarHBondContact O-N 3.13Å
504	C	75.2	Confident	70.9	Confident	24 Å²	24	68.5 Å²	68.5	16%	0.162	36%	0.36	C	S	.	.			trans	-62.5	138.8	177.9	-170	0	0	0	0	109.7	H499 L502 C506 Y529	H499-C504 WeakPolarHBondContact NE2-CB 3.49Å; L502-C504 HydrophobicContact CB-CB 4.49Å; L502-C504 PolarHBondContact O-N 2.92Å; L502-C504 VanDerWaalsContact O-N 3.14Å; C504-C506 HydrophobicContact CB-CB 4.48Å; C504-C506 WeakPolarHBondContact CB-SG 3.07Å; C504-C506 PolarHBondContact O-N 3.22Å; C504-C506 WeakPolarHBondContact SG-CB 3.39Å; C504-C506 PolarHBondContact SG-N 2.92Å; C504-C506 CovalentContact SG-SG 2.07Å; C504-C506 PolarHBondContact SG-SG 2.93Å; C504-Y529 HydrophobicContact CB-CE2 4.21Å
505	C	72.6	Confident	68.5	Low	107 Å²	107	72.1 Å²	72.1	72%	0.723	38%	0.382	S	S	*	.	S	Bend	trans	-73.3	-10.9	173.1	-43.4	0	0	0	0	112.5
506	C	75.1	Confident	66.1	Low	18 Å²	18	74.6 Å²	74.6	12%	0.122	40%	0.396	C	S	.	.			trans	-78.6	134.5	178.9	60.1	0	0	0	0	110.2	H499 C504 G508 H533	H499-C506 PolarHBondContact CE1-O 2.79Å; H499-C506 PolarHBondContact NE2-SG 3.2Å; C504-C506 HydrophobicContact CB-CB 4.48Å; C504-C506 WeakPolarHBondContact CB-SG 3.07Å; C504-C506 PolarHBondContact O-N 3.22Å; C504-C506 WeakPolarHBondContact SG-CB 3.39Å; C504-C506 PolarHBondContact SG-N 2.92Å; C504-C506 CovalentContact SG-SG 2.07Å; C504-C506 PolarHBondContact SG-SG 2.93Å; C506-G508 PolarHBondContact O-N 3.13Å; C506-H533 PolarHBondContact SG-ND1 2.58Å
507	D	69.5	Low	63.6	Low	86 Å²	86	83.2 Å²	83.2	46%	0.46	44%	0.436	S	S	.	.			trans	-83.8	11.2	170.9	62.1	-17	0	0	0	112.5	T509 V510 N535	D507-T509 PolarHBondContact O-N 3.36Å; D507-T509 VanDerWaalsContact OD1-CA 3.29Å; D507-T509 WeakPolarHBondContact OD1-CA 3.3Å; D507-T509 WeakPolarHBondContact OD1-CB 3.26Å; D507-T509 PolarHBondContact OD1-N 3.42Å; D507-T509 PolarHBondContact OD1-OG1 3.34Å; D507-T509 WeakPolarHBondContact OD2-CB 3.35Å; D507-T509 WeakPolarHBondContact OD2-CG2 3.44Å; D507-T509 PolarHBondContact OD2-OG1 3.41Å; D507-V510 PolarHBondContact OD1-N 2.94Å; D507-N535 PolarHBondContact O-ND2 2.92Å; D507-N535 VanDerWaalsContact O-ND2 3.17Å
508	G	60.2	Low	61.2	Low	0 Å²	0	90.9 Å²	90.9	0%	0	47%	0.471	C	S	.	.	S	Bend	trans	72.8	10.8	-167.2	0	0	0	0	0	113.8	C506 N535	C506-G508 PolarHBondContact O-N 3.13Å; G508-N535 PolarHBondContact O-N 2.88Å; G508-N535 VanDerWaalsContact O-N 3.08Å
509	T	58.1	Low	58.6	Low	41 Å²	41	98.5 Å²	98.5	25%	0.252	50%	0.504	S	S	.	.	S	Bend	trans	-117.7	1.3	175.4	88.4	0	0	0	0	113.6	D507 R542	D507-T509 PolarHBondContact O-N 3.36Å; D507-T509 VanDerWaalsContact OD1-CA 3.29Å; D507-T509 WeakPolarHBondContact OD1-CA 3.3Å; D507-T509 WeakPolarHBondContact OD1-CB 3.26Å; D507-T509 PolarHBondContact OD1-N 3.42Å; D507-T509 PolarHBondContact OD1-OG1 3.34Å; D507-T509 WeakPolarHBondContact OD2-CB 3.35Å; D507-T509 WeakPolarHBondContact OD2-CG2 3.44Å; D507-T509 PolarHBondContact OD2-OG1 3.41Å; T509-R542 PolarHBondContact O-NH1 3.05Å; T509-R542 PolarHBondContact O-NH2 3.43Å
510	V	49.3	Very low	56.1	Low	77 Å²	77	99.8 Å²	99.8	47%	0.467	51%	0.511	S	S	.	.			trans	-121.1	119.9	175	-169.3	0	0	0	0	110.2	D507 Q512	D507-V510 PolarHBondContact OD1-N 2.94Å; V510-Q512 HydrophobicContact CG1-CG 4.15Å; V510-Q512 PolarHBondContact O-N 3.19Å; V510-Q512 VanDerWaalsContact O-N 3.14Å
511	E	46.8	Very low	53.7	Low	159 Å²	159	102.9 Å²	102.9	74%	0.743	52%	0.523	S	S	*	.			trans	-68.8	102.9	164.4	-82	-170.2	148	0	0	107.8
512	Q	50	Low	51.2	Low	131 Å²	131	106.7 Å²	106.7	61%	0.612	54%	0.535	S	S	*	.			trans	-115.7	81.9	162.7	-89.7	-171.9	-9.4	0	0	110.9	V510 R514	V510-Q512 HydrophobicContact CG1-CG 4.15Å; V510-Q512 PolarHBondContact O-N 3.19Å; V510-Q512 VanDerWaalsContact O-N 3.14Å; Q512-R514 PolarHBondContact O-N 3.06Å
513	K	40.8	Very low	48.9	Very low	194 Å²	194	108.6 Å²	108.6	84%	0.843	55%	0.548	S	S	*	.			trans	-70.3	84.1	138.2	-76.6	-179.1	177.7	175.5	0	107.7
514	R	36.5	Very low	47.2	Very low	221 Å²	221	108.6 Å²	108.6	83%	0.834	54%	0.543	S	S	*	.			trans	163.6	108	154.4	-93.3	160.4	-172.7	-167.1	3.6	109.8	Q512	Q512-R514 PolarHBondContact O-N 3.06Å
515	T	37.1	Very low	46.1	Very low	89 Å²	89	108.4 Å²	108.4	55%	0.546	54%	0.543	S	S	.	.			trans	-167.5	118	138.7	15.8	0	0	0	0	112.4
516	T	34.1	Very low	45.1	Very low	98 Å²	98	106.9 Å²	106.9	60%	0.601	52%	0.524	S	S	*	.			trans	28.4	117.7	152.5	41.2	0	0	0	0	119.5	E518 K519	T516-E518 PolarHBondContact O-N 2.8Å; T516-K519 PolarHBondContact O-N 3.1Å
517	E	39.2	Very low	44.7	Very low	181 Å²	181	107.4 Å²	107.4	85%	0.846	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-47.8	-19.7	179.6	-65.5	178.8	149.9	0	0	115.9
518	E	36.5	Very low	45	Very low	167 Å²	167	103.6 Å²	103.6	78%	0.78	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-73.8	-30.3	-173.8	-67.2	-178.8	154.3	0	0	114.7	T516 L520	T516-E518 PolarHBondContact O-N 2.8Å; E518-L520 VanDerWaalsContact C-N 3.32Å; E518-L520 PolarHBondContact O-N 2.92Å
519	K	33.8	Very low	45.5	Very low	168 Å²	168	106.9 Å²	106.9	73%	0.73	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-79	-16.4	178.6	-77	-173.9	177.1	179.8	0	113.7	T516 Q521	T516-K519 PolarHBondContact O-N 3.1Å; K519-Q521 VanDerWaalsContact C-N 3.29Å; K519-Q521 PolarHBondContact O-N 3.34Å
520	L	36.6	Very low	46.5	Very low	43 Å²	43	111.3 Å²	111.3	23%	0.225	54%	0.537	C	S	.	.	G	3₁₀ helix	trans	-77.2	-12.1	-175.9	-81.9	157.7	0	0	0	113.3	E518 F522 K526	E518-L520 VanDerWaalsContact C-N 3.32Å; E518-L520 PolarHBondContact O-N 2.92Å; L520-F522 PolarHBondContact O-N 3.22Å; L520-K526 HydrophobicContact CD2-CD 4.41Å; L520-K526 HydrophobicContact CD2-CG 3.94Å; L520-K526 WeakPolarHBondContact O-CE 3.42Å
521	Q	35.9	Very low	48.2	Very low	160 Å²	160	109 Å²	109	75%	0.748	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-67.8	-19.1	-178.4	-109.5	177.1	0.2	0	0	114.2	K519	K519-Q521 VanDerWaalsContact C-N 3.29Å; K519-Q521 PolarHBondContact O-N 3.34Å
522	F	32.2	Very low	50.2	Low	192 Å²	192	104 Å²	104	84%	0.842	50%	0.5	S	S	*	.	S	Bend	trans	-116.2	-8.7	-173.9	-77.6	-83.8	0	0	0	115.9	L520 S524	L520-F522 PolarHBondContact O-N 3.22Å; F522-S524 PolarHBondContact O-N 3.13Å
523	C	32.2	Very low	52.1	Low	43 Å²	43	98.4 Å²	98.4	29%	0.291	47%	0.474	S	S	.	.			trans	-86.3	114.6	177.9	-101	0	0	0	0	111.1	L502 A525	L502-C523 PolarHBondContact O-SG 3.33Å; C523-A525 PolarHBondContact O-N 3.24Å
524	S	40.4	Very low	54.4	Low	81 Å²	81	89.4 Å²	89.4	57%	0.566	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	25.2	177.9	65.3	0	0	0	0	115	F522	F522-S524 PolarHBondContact O-N 3.13Å
525	A	51.4	Low	56.9	Low	20 Å²	20	80.6 Å²	80.6	17%	0.165	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-147.4	39.7	-175.8	0	0	0	0	0	114.9	E460 L502 C523 P527 L528 Y529	E460-A525 VanDerWaalsContact CD-C 3.49Å; E460-A525 WeakPolarHBondContact OE1-CA 3.49Å; E460-A525 WeakPolarHBondContact OE2-CA 3.39Å; E460-A525 PolarHBondContact OE2-N 3.12Å; E460-A525 VanDerWaalsContact OE2-N 3.11Å; L502-A525 HydrophobicContact CD2-CB 3.35Å; L502-A525 HydrophobicContact CG-CB 4.44Å; C523-A525 PolarHBondContact O-N 3.24Å; A525-P527 VanDerWaalsContact C-CD 3.47Å; A525-L528 PolarHBondContact O-N 3.45Å; A525-Y529 PolarHBondContact O-N 3.19Å
526	K	52.2	Low	59.1	Low	76 Å²	76	76.5 Å²	76.5	33%	0.33	38%	0.381	S	S	.	.	H	α-helix	trans	-50.6	-48.1	-169.7	-78.4	-167	178.6	-169.1	0	116.2	E460 L520 L528 Y529	E460-K526 VanDerWaalsContact CD-N 3.3Å; E460-K526 PolarHBondContact OE1-N 3.46Å; E460-K526 PolarHBondContact OE2-N 2.9Å; L520-K526 HydrophobicContact CD2-CD 4.41Å; L520-K526 HydrophobicContact CD2-CG 3.94Å; L520-K526 WeakPolarHBondContact O-CE 3.42Å; K526-L528 VanDerWaalsContact C-N 3.3Å; K526-L528 PolarHBondContact O-N 3.07Å; K526-Y529 WeakPolarHBondContact O-CB 3.23Å; K526-Y529 PolarHBondContact O-N 3.4Å
527	P	66.3	Low	61.5	Low	29 Å²	29	76.3 Å²	76.3	19%	0.188	38%	0.383	C	S	.	.	H	α-helix	trans	-68.9	-31.9	-175.6	-16.2	31.3	0	0	0	111.1	E460 A525 Y529 E530 W531	E460-P527 HydrophobicContact CG-CG 3.23Å; E460-P527 WeakPolarHBondContact OE1-CD 3.39Å; A525-P527 VanDerWaalsContact C-CD 3.47Å; P527-Y529 VanDerWaalsContact C-N 3.32Å; P527-E530 PolarHBondContact O-N 3.45Å; P527-W531 PolarHBondContact O-NE1 3.02Å
528	L	74.5	Confident	63.6	Low	5 Å²	5	68.6 Å²	68.6	3%	0.026	35%	0.349	C	S	.	.	H	α-helix	trans	-73	-30.9	-179.7	-128.4	123.1	0	0	0	111.7	F452 V456 T498 L502 A525 K526 E530 W531 H533 F560	F452-L528 HydrophobicContact CE1-CD1 3.77Å; F452-L528 HydrophobicContact CE1-CD2 4.22Å; F452-L528 HydrophobicContact CZ-CD1 3.76Å; V456-L528 HydrophobicContact CB-CD1 3.81Å; V456-L528 HydrophobicContact CG1-CB 4.27Å; V456-L528 HydrophobicContact CG1-CD1 3.36Å; V456-L528 HydrophobicContact CG1-CG 4.45Å; V456-L528 HydrophobicContact CG2-CD1 3.13Å; T498-L528 HydrophobicContact CG2-CD2 4.17Å; L502-L528 HydrophobicContact CD1-CB 4.42Å; L502-L528 HydrophobicContact CD1-CD2 4.17Å; A525-L528 PolarHBondContact O-N 3.45Å; K526-L528 VanDerWaalsContact C-N 3.3Å; K526-L528 PolarHBondContact O-N 3.07Å; L528-E530 PolarHBondContact O-N 3.17Å; L528-W531 WeakPolarHBondContact O-CB 3.39Å; L528-W531 PolarHBondContact O-N 2.87Å; L528-W531 VanDerWaalsContact O-N 3.12Å; L528-H533 PolarHBondContact O-NE2 3Å; L528-F560 HydrophobicContact CD2-CD1 3.47Å; L528-F560 VanDerWaalsContact CD2-CD1 3.47Å; L528-F560 HydrophobicContact CD2-CD2 3.94Å; L528-F560 HydrophobicContact CD2-CE1 3.39Å; L528-F560 HydrophobicContact CD2-CE2 3.84Å; L528-F560 HydrophobicContact CD2-CG 3.75Å; L528-F560 HydrophobicContact CD2-CZ 3.57Å; L528-F560 HydrophobicContact CG-CD1 4.46Å
529	Y	72.6	Confident	65.8	Low	69 Å²	69	60.7 Å²	60.7	27%	0.271	31%	0.312	S	S	.	.	H	α-helix	trans	-63.6	-26.9	172.7	-163.5	-89.6	0	0	0	112.7	C504 A525 K526 P527 W531	C504-Y529 HydrophobicContact CB-CE2 4.21Å; A525-Y529 PolarHBondContact O-N 3.19Å; K526-Y529 WeakPolarHBondContact O-CB 3.23Å; K526-Y529 PolarHBondContact O-N 3.4Å; P527-Y529 VanDerWaalsContact C-N 3.32Å; Y529-W531 VanDerWaalsContact C-N 3.32Å
530	E	77.2	Confident	68	Low	135 Å²	135	57.4 Å²	57.4	63%	0.631	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-11.6	176.1	-64.3	176.7	178.2	0	0	113.3	P527 L528	P527-E530 PolarHBondContact O-N 3.45Å; L528-E530 PolarHBondContact O-N 3.17Å
531	W	86.1	Confident	70	Confident	29 Å²	29	61 Å²	61	11%	0.11	33%	0.327	C	S	.	.	S	Bend	trans	-74.2	153.7	175.9	-70.8	30.9	0	0	0	109.1	D218 A220 P527 L528 Y529 H533 F560 Q562	D218-W531 HydrophobicContact CB-CH2 3.53Å; D218-W531 HydrophobicContact CB-CZ2 4.38Å; D218-W531 HydrophobicContact CB-CZ3 3.9Å; A220-W531 HydrophobicContact CB-CZ3 4.39Å; P527-W531 PolarHBondContact O-NE1 3.02Å; L528-W531 WeakPolarHBondContact O-CB 3.39Å; L528-W531 PolarHBondContact O-N 2.87Å; L528-W531 VanDerWaalsContact O-N 3.12Å; Y529-W531 VanDerWaalsContact C-N 3.32Å; W531-H533 PolarHBondContact O-CD2 3.03Å; W531-H533 PolarHBondContact O-N 3.42Å; W531-H533 PolarHBondContact O-NE2 3.12Å; W531-F560 HydrophobicContact CB-CB 4.22Å; W531-F560 HydrophobicContact CB-CD1 4.42Å; W531-F560 HydrophobicContact CD2-CB 4.37Å; W531-F560 HydrophobicContact CE3-CB 3.62Å; W531-F560 HydrophobicContact CZ3-CB 4.43Å; W531-Q562 HydrophobicContact CD2-CB 3.57Å; W531-Q562 VanDerWaalsContact CE2-OE1 3.23Å; W531-Q562 HydrophobicContact CE3-CB 4.01Å; W531-Q562 HydrophobicContact CG-CB 3.8Å; W531-Q562 HydrophobicContact CH2-CB 4.44Å; W531-Q562 HydrophobicContact CZ2-CB 4.01Å; W531-Q562 HydrophobicContact CZ3-CB 4.43Å
532	T	88.3	Confident	72	Confident	52 Å²	52	58.7 Å²	58.7	32%	0.319	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	126.8	170.2	-51.9	0	0	0	0	108.8	I534 F560 T561	T532-I534 HydrophobicContact CG2-CD1 4.34Å; T532-I534 HydrophobicContact CG2-CG1 4.09Å; T532-F560 WeakPolarHBondContact O-CA 3.46Å; T532-T561 HydrophobicContact CG2-CG2 4.4Å; T532-T561 PolarHBondContact N-O 3.13Å; T532-T561 PolarHBondContact O-N 3.22Å
533	H	90.3	Very high	74.2	Confident	14 Å²	14	50.3 Å²	50.3	7%	0.065	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	122.6	-179.7	-68.4	-169.8	0	0	0	109.4	H499 C506 L528 W531 F558 F560	H499-H533 AromaticContact CD2-CE1 3.86Å; H499-H533 AromaticContact CD2-ND1 3.24Å; H499-H533 PolarHBondContact CD2-ND1 3.36Å; H499-H533 AromaticContact NE2-CE1 3.95Å; H499-H533 AromaticContact NE2-ND1 3.14Å; H499-H533 PolarHBondContact NE2-ND1 2.98Å; H499-H533 VanDerWaalsContact NE2-ND1 3.14Å; C506-H533 PolarHBondContact SG-ND1 2.58Å; L528-H533 PolarHBondContact O-NE2 3Å; W531-H533 PolarHBondContact O-CD2 3.03Å; W531-H533 PolarHBondContact O-N 3.42Å; W531-H533 PolarHBondContact O-NE2 3.12Å; H533-F558 HydrophobicContact CB-CE1 4.26Å; H533-F558 HydrophobicContact CB-CZ 3.81Å; H533-F560 AromaticContact CD2-CD1 3.31Å; H533-F560 WeakPolarHBondContact CD2-CD1 3.5Å; H533-F560 AromaticContact CD2-CE1 3.44Å; H533-F560 VanDerWaalsContact CD2-CE1 3.44Å; H533-F560 WeakPolarHBondContact CD2-CE1 3.49Å; H533-F560 AromaticContact CE1-CE1 3.82Å; H533-F560 AromaticContact CG-CE1 3.84Å; H533-F560 AromaticContact NE2-CD1 3.61Å; H533-F560 AromaticContact NE2-CE1 3.42Å; H533-F560 WeakPolarHBondContact NE2-CE1 3.43Å
534	I	88.7	Confident	76.7	Confident	6 Å²	6	52.6 Å²	52.6	3%	0.031	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	117.2	-176.6	-53.8	177.7	0	0	0	109.4	T532 L539 R542 V543 V559 T561	T532-I534 HydrophobicContact CG2-CD1 4.34Å; T532-I534 HydrophobicContact CG2-CG1 4.09Å; I534-L539 HydrophobicContact CG2-CD2 4.35Å; I534-R542 HydrophobicContact CG2-CB 4.23Å; I534-V543 HydrophobicContact CD1-CG2 3.79Å; I534-V543 HydrophobicContact CG2-CG2 4.12Å; I534-V559 HydrophobicContact CB-CB 4.46Å; I534-V559 PolarHBondContact N-O 3.35Å; I534-V559 PolarHBondContact O-N 3.26Å; I534-T561 HydrophobicContact CD1-CG2 3.88Å
535	N	88.9	Confident	78.6	Confident	35 Å²	35	52.8 Å²	52.8	19%	0.187	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	143.7	173.3	-163.1	-38	0	0	0	110.6	D507 G508 S537 S538 L539	D507-N535 PolarHBondContact O-ND2 2.92Å; D507-N535 VanDerWaalsContact O-ND2 3.17Å; G508-N535 PolarHBondContact O-N 2.88Å; G508-N535 VanDerWaalsContact O-N 3.08Å; N535-S537 PolarHBondContact O-N 3.39Å; N535-S537 VanDerWaalsContact O-N 3.15Å; N535-S537 PolarHBondContact OD1-N 3.05Å; N535-S537 PolarHBondContact OD1-OG 2.87Å; N535-S538 PolarHBondContact O-N 3.26Å; N535-L539 PolarHBondContact O-N 3.27Å
536	G	83.9	Confident	80.2	Confident	4 Å²	4	52.6 Å²	52.6	4%	0.041	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-53.8	-32.7	178.6	0	0	0	0	0	114.4	S538 L539 V556 S557	G536-S538 PolarHBondContact O-N 3.05Å; G536-L539 WeakPolarHBondContact O-CD1 3.46Å; G536-L539 PolarHBondContact O-N 3.23Å; G536-V556 VanDerWaalsContact CA-O 3.28Å; G536-V556 WeakPolarHBondContact CA-O 3.34Å; G536-S557 WeakPolarHBondContact CA-O 3.42Å; G536-S557 PolarHBondContact N-O 3.2Å
537	S	84	Confident	81.8	Confident	94 Å²	94	49 Å²	49	66%	0.657	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-67.5	-22.7	175.9	58.8	0	0	0	0	114	N535	N535-S537 PolarHBondContact O-N 3.39Å; N535-S537 VanDerWaalsContact O-N 3.15Å; N535-S537 PolarHBondContact OD1-N 3.05Å; N535-S537 PolarHBondContact OD1-OG 2.87Å
538	S	83.6	Confident	83	Confident	19 Å²	19	47.9 Å²	47.9	13%	0.133	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-107.5	7.7	-176.1	-58.9	0	0	0	0	113.1	N535 G536 D540 T541 R542	N535-S538 PolarHBondContact O-N 3.26Å; G536-S538 PolarHBondContact O-N 3.05Å; S538-D540 PolarHBondContact O-N 3.21Å; S538-T541 PolarHBondContact O-N 2.74Å; S538-T541 PolarHBondContact O-OG1 3.38Å; S538-T541 VanDerWaalsContact O-OG1 3.13Å; S538-R542 WeakPolarHBondContact O-CB 3.33Å; S538-R542 PolarHBondContact O-N 2.96Å; S538-R542 VanDerWaalsContact O-N 3.09Å
539	L	82.4	Confident	83.7	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-57.6	-46.3	-177.1	-88.1	164.7	0	0	0	112.9	I534 N535 G536 T541 R542 V543 V556 V559	I534-L539 HydrophobicContact CG2-CD2 4.35Å; N535-L539 PolarHBondContact O-N 3.27Å; G536-L539 WeakPolarHBondContact O-CD1 3.46Å; G536-L539 PolarHBondContact O-N 3.23Å; L539-T541 PolarHBondContact O-N 3.25Å; L539-R542 PolarHBondContact O-N 3.21Å; L539-V543 HydrophobicContact CD2-CG2 3.31Å; L539-V543 HydrophobicContact CG-CG2 4.41Å; L539-V543 WeakPolarHBondContact O-CG2 3.48Å; L539-V543 PolarHBondContact O-N 2.95Å; L539-V543 VanDerWaalsContact O-N 3.1Å; L539-V556 HydrophobicContact CD1-CB 3.52Å; L539-V556 HydrophobicContact CD1-CG1 3.45Å; L539-V556 VanDerWaalsContact CD1-CG1 3.45Å; L539-V556 HydrophobicContact CD1-CG2 4.5Å; L539-V559 HydrophobicContact CD2-CB 4.2Å; L539-V559 HydrophobicContact CD2-CG2 3.58Å
540	D	81.2	Confident	84.3	Confident	98 Å²	98	46.4 Å²	46.4	52%	0.524	26%	0.263	S	S	.	.	H	α-helix	trans	-69.3	-19.4	-171.7	-59.2	-32.1	0	0	0	112.8	S538 S550 S551	S538-D540 PolarHBondContact O-N 3.21Å; D540-S550 WeakPolarHBondContact OD1-CA 3.38Å; D540-S550 WeakPolarHBondContact OD1-CB 3.44Å; D540-S551 PolarHBondContact OD1-N 2.93Å; D540-S551 WeakPolarHBondContact OD2-CB 3.48Å; D540-S551 PolarHBondContact OD2-OG 3.21Å
541	T	78	Confident	84.2	Confident	120 Å²	120	41.2 Å²	41.2	74%	0.736	24%	0.242	S	C	*	.	H	α-helix	trans	-103.3	-27.8	-180	54	0	0	0	0	113.4	S538 L539	S538-T541 PolarHBondContact O-N 2.74Å; S538-T541 PolarHBondContact O-OG1 3.38Å; S538-T541 VanDerWaalsContact O-OG1 3.13Å; L539-T541 PolarHBondContact O-N 3.25Å
542	R	77.2	Confident	84.2	Confident	111 Å²	111	40.5 Å²	40.5	42%	0.419	24%	0.24	S	C	.	.	H	α-helix	trans	-109.3	-25.7	-169.6	-65.9	-165.2	173.9	-149.8	-0.4	115.7	T509 I534 S538 L539	T509-R542 PolarHBondContact O-NH1 3.05Å; T509-R542 PolarHBondContact O-NH2 3.43Å; I534-R542 HydrophobicContact CG2-CB 4.23Å; S538-R542 WeakPolarHBondContact O-CB 3.33Å; S538-R542 PolarHBondContact O-N 2.96Å; S538-R542 VanDerWaalsContact O-N 3.09Å; L539-R542 PolarHBondContact O-N 3.21Å
543	V	79.5	Confident	83.9	Confident	16 Å²	16	45.4 Å²	45.4	10%	0.097	26%	0.264	C	S	.	.	S	Bend	trans	-80.5	136.6	178.6	-166.3	0	0	0	0	109	Y219 I534 L539 A545 S547 L549	Y219-V543 HydrophobicContact CE1-CG1 3.94Å; I534-V543 HydrophobicContact CD1-CG2 3.79Å; I534-V543 HydrophobicContact CG2-CG2 4.12Å; L539-V543 HydrophobicContact CD2-CG2 3.31Å; L539-V543 HydrophobicContact CG-CG2 4.41Å; L539-V543 WeakPolarHBondContact O-CG2 3.48Å; L539-V543 PolarHBondContact O-N 2.95Å; L539-V543 VanDerWaalsContact O-N 3.1Å; V543-A545 PolarHBondContact O-N 3.18Å; V543-S547 WeakPolarHBondContact CG1-OG 3.48Å; V543-L549 HydrophobicContact CG1-CB 4.48Å
544	E	83.6	Confident	83.6	Confident	91 Å²	91	46.3 Å²	46.3	43%	0.425	28%	0.277	S	S	.	.			trans	-47.8	130.2	171.1	-65.6	-178.1	177.2	0	0	109.5	K215 A546 S547	K215-E544 IonicContact NZ-OE1 2.76Å; K215-E544 PolarHBondContact NZ-OE1 2.81Å; E544-A546 PolarHBondContact O-N 3.36Å; E544-S547 WeakPolarHBondContact O-CB 3.31Å; E544-S547 PolarHBondContact O-N 3.36Å; E544-S547 PolarHBondContact O-OG 2.98Å
545	A	80.9	Confident	83.8	Confident	85 Å²	85	47.4 Å²	47.4	70%	0.702	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-55.2	-27.9	179.2	0	0	0	0	0	112.4	V543 S547 C548	V543-A545 PolarHBondContact O-N 3.18Å; A545-S547 PolarHBondContact O-N 3.04Å; A545-C548 PolarHBondContact O-N 3.41Å
546	A	84.3	Confident	84	Confident	16 Å²	16	45.8 Å²	45.8	13%	0.132	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-70.3	-14	176.1	0	0	0	0	0	114.4	Y331 R407 R437 E544 C548	Y331-A546 WeakPolarHBondContact OH-CA 3.25Å; Y331-A546 WeakPolarHBondContact OH-CB 3.41Å; R407-A546 VanDerWaalsContact CZ-O 3.29Å; R407-A546 PolarHBondContact NH1-O 3.39Å; R407-A546 PolarHBondContact NH2-O 3.32Å; R437-A546 VanDerWaalsContact CD-O 3.29Å; R437-A546 WeakPolarHBondContact CD-O 3.49Å; R437-A546 PolarHBondContact NE-O 3.01Å; E544-A546 PolarHBondContact O-N 3.36Å; A546-C548 PolarHBondContact O-N 2.86Å
547	S	86.7	Confident	84.5	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.007	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-63.9	-26.2	169.6	72	0	0	0	0	112.3	Y219 Y439 V543 E544 A545 L549	Y219-S547 WeakPolarHBondContact OH-CB 3.39Å; Y439-S547 VanDerWaalsContact CE1-O 3.31Å; Y439-S547 WeakPolarHBondContact CE1-O 3.37Å; Y439-S547 PolarHBondContact OH-O 3.25Å; V543-S547 WeakPolarHBondContact CG1-OG 3.48Å; E544-S547 WeakPolarHBondContact O-CB 3.31Å; E544-S547 PolarHBondContact O-N 3.36Å; E544-S547 PolarHBondContact O-OG 2.98Å; A545-S547 PolarHBondContact O-N 3.04Å; S547-L549 PolarHBondContact O-N 3.02Å; S547-L549 VanDerWaalsContact O-N 3.13Å; S547-L549 PolarHBondContact OG-N 3.13Å
548	C	90.4	Very high	84.9	Confident	5 Å²	5	41.5 Å²	41.5	3%	0.034	24%	0.244	C	C	.	.			trans	56.2	14.2	-168.9	-62.8	0	0	0	0	114.4	L323 N326 V327 Y331 A545 A546 F552	L323-C548 HydrophobicContact CD1-CB 3.61Å; N326-C548 HydrophobicContact CB-CB 3.79Å; N326-C548 PolarHBondContact ND2-O 2.95Å; V327-C548 HydrophobicContact CG2-CB 3.89Å; Y331-C548 VanDerWaalsContact CE2-SG 3.55Å; A545-C548 PolarHBondContact O-N 3.41Å; A546-C548 PolarHBondContact O-N 2.86Å; C548-F552 WeakPolarHBondContact O-CZ 3.22Å
549	L	89.3	Confident	85.4	Confident	12 Å²	12	40.6 Å²	40.6	6%	0.063	24%	0.238	C	C	.	.			trans	-87.3	137.1	172.6	-63.8	171.5	0	0	0	108.7	Y219 V221 L323 Y439 V543 S547 V559	Y219-L549 HydrophobicContact CD1-CD1 3.77Å; Y219-L549 HydrophobicContact CE1-CD1 4.36Å; Y219-L549 HydrophobicContact CG-CD1 3.94Å; V221-L549 HydrophobicContact CG1-CD2 4.27Å; V221-L549 HydrophobicContact CG2-CD1 3.8Å; V221-L549 HydrophobicContact CG2-CD2 3.97Å; L323-L549 HydrophobicContact CD1-CD2 4.26Å; Y439-L549 HydrophobicContact CD1-CD1 4.21Å; Y439-L549 HydrophobicContact CD1-CD2 4.17Å; Y439-L549 HydrophobicContact CD1-CG 4.34Å; Y439-L549 HydrophobicContact CE1-CD1 4.06Å; Y439-L549 HydrophobicContact CE1-CD2 4.21Å; Y439-L549 HydrophobicContact CE1-CG 3.99Å; V543-L549 HydrophobicContact CG1-CB 4.48Å; S547-L549 PolarHBondContact O-N 3.02Å; S547-L549 VanDerWaalsContact O-N 3.13Å; S547-L549 PolarHBondContact OG-N 3.13Å; L549-V559 HydrophobicContact CD1-CG1 4.37Å; L549-V559 HydrophobicContact CD1-CG2 4.44Å
550	S	85	Confident	85.9	Confident	30 Å²	30	40.5 Å²	40.5	21%	0.21	24%	0.238	C	C	.	.			trans	-139.1	171.1	171.7	66.7	0	0	0	0	107.9	D540 F552	D540-S550 WeakPolarHBondContact OD1-CA 3.38Å; D540-S550 WeakPolarHBondContact OD1-CB 3.44Å; S550-F552 WeakPolarHBondContact O-CD2 2.91Å; S550-F552 WeakPolarHBondContact O-CG 3.49Å; S550-F552 PolarHBondContact O-N 3.14Å; S550-F552 VanDerWaalsContact O-N 3.07Å; S550-F552 WeakPolarHBondContact OG-CD1 3.46Å; S550-F552 WeakPolarHBondContact OG-CE1 3.48Å
551	S	76.7	Confident	86.4	Confident	27 Å²	27	36.7 Å²	36.7	19%	0.189	22%	0.218	C	C	.	.			trans	-58.7	-21.4	177.5	61.5	0	0	0	0	113.2	D540 N553 G554 V555 V556	D540-S551 PolarHBondContact OD1-N 2.93Å; D540-S551 WeakPolarHBondContact OD2-CB 3.48Å; D540-S551 PolarHBondContact OD2-OG 3.21Å; S551-N553 VanDerWaalsContact C-N 3.34Å; S551-N553 PolarHBondContact O-N 2.86Å; S551-G554 CarbonylContact O-C 3.59Å; S551-G554 WeakPolarHBondContact O-CA 3.46Å; S551-G554 PolarHBondContact O-N 3.33Å; S551-V555 PolarHBondContact O-N 3.05Å; S551-V556 PolarHBondContact O-N 2.86Å
552	F	84.7	Confident	86.9	Confident	14 Å²	14	33.8 Å²	33.8	6%	0.061	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.8	54.9	178.7	-59.1	-53.3	0	0	0	112	F318 V319 N322 C548 S550 G554 V555 V556	F318-F552 HydrophobicContact CE1-CB 4.02Å; V319-F552 HydrophobicContact CG1-CD2 4.35Å; V319-F552 HydrophobicContact CG1-CE2 4.22Å; V319-F552 HydrophobicContact CG2-CD2 4.3Å; N322-F552 HydrophobicContact CB-CD1 3.38Å; N322-F552 HydrophobicContact CB-CD2 4.47Å; N322-F552 HydrophobicContact CB-CE1 3.25Å; N322-F552 HydrophobicContact CB-CE2 4.37Å; N322-F552 HydrophobicContact CB-CG 4.05Å; N322-F552 HydrophobicContact CB-CZ 3.8Å; C548-F552 WeakPolarHBondContact O-CZ 3.22Å; S550-F552 WeakPolarHBondContact O-CD2 2.91Å; S550-F552 WeakPolarHBondContact O-CG 3.49Å; S550-F552 PolarHBondContact O-N 3.14Å; S550-F552 VanDerWaalsContact O-N 3.07Å; S550-F552 WeakPolarHBondContact OG-CD1 3.46Å; S550-F552 WeakPolarHBondContact OG-CE1 3.48Å; F552-G554 VanDerWaalsContact C-N 3.3Å; F552-G554 PolarHBondContact O-N 3.17Å; F552-V555 WeakPolarHBondContact O-CB 3.36Å; F552-V555 VanDerWaalsContact O-CG2 3.24Å; F552-V555 WeakPolarHBondContact O-CG2 3.33Å; F552-V555 PolarHBondContact O-N 3.46Å; F552-V556 HydrophobicContact CD2-CG2 3.7Å; F552-V556 HydrophobicContact CE2-CG2 4.35Å
553	N	81.7	Confident	87.3	Confident	154 Å²	154	31 Å²	31	82%	0.824	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	34	-175.3	-56.2	-22.4	0	0	0	113.9	S551 V555	S551-N553 VanDerWaalsContact C-N 3.34Å; S551-N553 PolarHBondContact O-N 2.86Å; N553-V555 PolarHBondContact O-N 3.26Å
554	G	85.7	Confident	87.1	Confident	33 Å²	33	33.2 Å²	33.2	34%	0.34	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	12.3	-179.2	0	0	0	0	0	114.5	S551 F552	S551-G554 CarbonylContact O-C 3.59Å; S551-G554 WeakPolarHBondContact O-CA 3.46Å; S551-G554 PolarHBondContact O-N 3.33Å; F552-G554 VanDerWaalsContact C-N 3.3Å; F552-G554 PolarHBondContact O-N 3.17Å
555	V	91.9	Very high	85.8	Confident	30 Å²	30	31.3 Å²	31.3	18%	0.182	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-35	176.6	177.4	0	0	0	0	110.7	C223 R224 F318 V319 S551 F552 N553 S557	C223-V555 CarbonylContact C-O 3.57Å; R224-V555 PolarHBondContact N-O 3.22Å; F318-V555 HydrophobicContact CD1-CB 4.02Å; F318-V555 HydrophobicContact CD1-CG1 4.01Å; F318-V555 HydrophobicContact CD1-CG2 3.75Å; F318-V555 HydrophobicContact CE1-CB 4.3Å; F318-V555 HydrophobicContact CE1-CG2 3.77Å; V319-V555 HydrophobicContact CG2-CB 4.49Å; V319-V555 HydrophobicContact CG2-CG1 3.77Å; S551-V555 PolarHBondContact O-N 3.05Å; F552-V555 WeakPolarHBondContact O-CB 3.36Å; F552-V555 VanDerWaalsContact O-CG2 3.24Å; F552-V555 WeakPolarHBondContact O-CG2 3.33Å; F552-V555 PolarHBondContact O-N 3.46Å; N553-V555 PolarHBondContact O-N 3.26Å; V555-S557 PolarHBondContact O-N 3.11Å
556	V	93.8	Very high	83.7	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	113.5	170.3	-175.3	0	0	0	0	108.1	V221 F222 V319 G536 L539 S551 F552 V559	V221-V556 HydrophobicContact CG1-CG1 3.7Å; V221-V556 HydrophobicContact CG1-CG2 4.08Å; F222-V556 CarbonylContact O-C 3.56Å; F222-V556 WeakPolarHBondContact O-CA 3.39Å; V319-V556 HydrophobicContact CG1-CG2 4.15Å; V319-V556 HydrophobicContact CG2-CG2 3.64Å; G536-V556 VanDerWaalsContact CA-O 3.28Å; G536-V556 WeakPolarHBondContact CA-O 3.34Å; L539-V556 HydrophobicContact CD1-CB 3.52Å; L539-V556 HydrophobicContact CD1-CG1 3.45Å; L539-V556 VanDerWaalsContact CD1-CG1 3.45Å; L539-V556 HydrophobicContact CD1-CG2 4.5Å; S551-V556 PolarHBondContact O-N 2.86Å; F552-V556 HydrophobicContact CD2-CG2 3.7Å; F552-V556 HydrophobicContact CE2-CG2 4.35Å; V556-V559 HydrophobicContact CG1-CG2 3.7Å
557	S	93.3	Very high	81.2	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-30.9	-178	55.7	0	0	0	0	113	F222 T444 C495 G536 V555	F222-S557 PolarHBondContact O-N 3.06Å; F222-S557 PolarHBondContact O-OG 2.74Å; T444-S557 PolarHBondContact OG1-OG 3.45Å; C495-S557 WeakPolarHBondContact O-CB 3.23Å; C495-S557 PolarHBondContact O-OG 3.26Å; G536-S557 WeakPolarHBondContact CA-O 3.42Å; G536-S557 PolarHBondContact N-O 3.2Å; V555-S557 PolarHBondContact O-N 3.11Å
558	F	93.5	Very high	78.3	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.018	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	150.9	-176.3	-156.2	-92.2	0	0	0	111.6	F222 C496 H499 H533 F560	F222-F558 HydrophobicContact CB-CB 4.02Å; F222-F558 WeakPolarHBondContact CB-O 3.38Å; F222-F558 HydrophobicContact CD2-CB 4.39Å; F222-F558 HydrophobicContact CG-CB 4.35Å; F222-F558 PolarHBondContact N-O 3.37Å; C496-F558 HydrophobicContact CB-CB 3.72Å; C496-F558 HydrophobicContact CB-CD1 4.11Å; C496-F558 HydrophobicContact CB-CD2 4.23Å; C496-F558 HydrophobicContact CB-CG 3.77Å; H499-F558 HydrophobicContact CB-CE1 4.41Å; H499-F558 HydrophobicContact CB-CE2 4.49Å; H499-F558 HydrophobicContact CB-CZ 4.18Å; H499-F558 AromaticContact CD2-CZ 3.38Å; H499-F558 WeakPolarHBondContact CD2-CZ 3.49Å; H499-F558 AromaticContact CG-CZ 3.74Å; H499-F558 AromaticContact NE2-CZ 3.99Å; H533-F558 HydrophobicContact CB-CE1 4.26Å; H533-F558 HydrophobicContact CB-CZ 3.81Å; F558-F560 AromaticContact CD1-CD2 3.79Å; F558-F560 HydrophobicContact CZ-CZ 4.31Å; F558-F560 HydrophobicContact CZ-CE1 4.4Å; F558-F560 VanDerWaalsContact CE1-CZ 3.45Å; F558-F560 HydrophobicContact CE1-CZ 3.45Å; F558-F560 AromaticContact CE1-CZ 3.45Å; F558-F560 HydrophobicContact CE1-CG 4.04Å; F558-F560 HydrophobicContact CE1-CE2 3.53Å; F558-F560 AromaticContact CE1-CE2 3.53Å; F558-F560 HydrophobicContact CE1-CE1 3.65Å; F558-F560 AromaticContact CE1-CE1 3.65Å; F558-F560 HydrophobicContact CE1-CD2 3.81Å; F558-F560 AromaticContact CE1-CD2 3.81Å; F558-F560 HydrophobicContact CE1-CD1 3.96Å; F558-F560 AromaticContact CE1-CD1 3.96Å; F558-F560 HydrophobicContact CD1-CZ 3.97Å; F558-F560 AromaticContact CD1-CZ 3.97Å; F558-F560 HydrophobicContact CD1-CG 4.4Å; F558-F560 HydrophobicContact CD1-CE2 3.57Å; F558-F560 AromaticContact CD1-CE2 3.57Å; F558-F560 HydrophobicContact CD1-CD2 3.79Å
559	V	93.6	Very high	75.2	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	129.5	172	178.3	0	0	0	0	110.2	Y219 A220 V221 I534 L539 L549 V556	Y219-V559 HydrophobicContact CD1-CG1 4.09Å; A220-V559 VanDerWaalsContact O-CA 3.3Å; A220-V559 WeakPolarHBondContact O-CA 3.42Å; V221-V559 HydrophobicContact CG1-CG2 4.27Å; V221-V559 HydrophobicContact CG2-CG2 4.39Å; I534-V559 HydrophobicContact CB-CB 4.46Å; I534-V559 PolarHBondContact N-O 3.35Å; I534-V559 PolarHBondContact O-N 3.26Å; L539-V559 HydrophobicContact CD2-CB 4.2Å; L539-V559 HydrophobicContact CD2-CG2 3.58Å; L549-V559 HydrophobicContact CD1-CG1 4.37Å; L549-V559 HydrophobicContact CD1-CG2 4.44Å; V556-V559 HydrophobicContact CG1-CG2 3.7Å
560	F	92.2	Very high	72.1	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	136.9	159.6	-60.6	-95	0	0	0	108.9	Y219 A220 F222 H499 L502 L528 W531 T532 H533 F558	Y219-F560 CarbonylContact C-O 3.57Å; Y219-F560 WeakPolarHBondContact CA-O 3.46Å; A220-F560 HydrophobicContact CB-CB 4.24Å; A220-F560 PolarHBondContact N-O 3.22Å; A220-F560 PolarHBondContact O-N 2.69Å; F222-F560 HydrophobicContact CD2-CD2 4.18Å; F222-F560 HydrophobicContact CD2-CE2 4.3Å; F222-F560 AromaticContact CE2-CD2 3.51Å; F222-F560 HydrophobicContact CE2-CD2 3.51Å; F222-F560 AromaticContact CE2-CE2 3.61Å; F222-F560 HydrophobicContact CE2-CE2 3.61Å; F222-F560 HydrophobicContact CZ-CD2 4.28Å; F222-F560 HydrophobicContact CZ-CE2 4.01Å; H499-F560 HydrophobicContact CB-CZ 3.9Å; L502-F560 HydrophobicContact CD1-CE1 3.97Å; L502-F560 HydrophobicContact CD1-CZ 4.23Å; L528-F560 HydrophobicContact CD2-CD1 3.47Å; L528-F560 VanDerWaalsContact CD2-CD1 3.47Å; L528-F560 HydrophobicContact CD2-CD2 3.94Å; L528-F560 HydrophobicContact CD2-CE1 3.39Å; L528-F560 HydrophobicContact CD2-CE2 3.84Å; L528-F560 HydrophobicContact CD2-CG 3.75Å; L528-F560 HydrophobicContact CD2-CZ 3.57Å; L528-F560 HydrophobicContact CG-CD1 4.46Å; W531-F560 HydrophobicContact CB-CB 4.22Å; W531-F560 HydrophobicContact CB-CD1 4.42Å; W531-F560 HydrophobicContact CD2-CB 4.37Å; W531-F560 HydrophobicContact CE3-CB 3.62Å; W531-F560 HydrophobicContact CZ3-CB 4.43Å; T532-F560 WeakPolarHBondContact O-CA 3.46Å; H533-F560 AromaticContact CD2-CD1 3.31Å; H533-F560 WeakPolarHBondContact CD2-CD1 3.5Å; H533-F560 AromaticContact CD2-CE1 3.44Å; H533-F560 VanDerWaalsContact CD2-CE1 3.44Å; H533-F560 WeakPolarHBondContact CD2-CE1 3.49Å; H533-F560 AromaticContact CE1-CE1 3.82Å; H533-F560 AromaticContact CG-CE1 3.84Å; H533-F560 AromaticContact NE2-CD1 3.61Å; H533-F560 AromaticContact NE2-CE1 3.42Å; H533-F560 WeakPolarHBondContact NE2-CE1 3.43Å; F558-F560 AromaticContact CD1-CD2 3.79Å; F558-F560 HydrophobicContact CZ-CZ 4.31Å; F558-F560 HydrophobicContact CZ-CE1 4.4Å; F558-F560 VanDerWaalsContact CE1-CZ 3.45Å; F558-F560 HydrophobicContact CE1-CZ 3.45Å; F558-F560 AromaticContact CE1-CZ 3.45Å; F558-F560 HydrophobicContact CE1-CG 4.04Å; F558-F560 HydrophobicContact CE1-CE2 3.53Å; F558-F560 AromaticContact CE1-CE2 3.53Å; F558-F560 HydrophobicContact CE1-CE1 3.65Å; F558-F560 AromaticContact CE1-CE1 3.65Å; F558-F560 HydrophobicContact CE1-CD2 3.81Å; F558-F560 AromaticContact CE1-CD2 3.81Å; F558-F560 HydrophobicContact CE1-CD1 3.96Å; F558-F560 AromaticContact CE1-CD1 3.96Å; F558-F560 HydrophobicContact CD1-CZ 3.97Å; F558-F560 AromaticContact CD1-CZ 3.97Å; F558-F560 HydrophobicContact CD1-CG 4.4Å; F558-F560 HydrophobicContact CD1-CE2 3.57Å; F558-F560 AromaticContact CD1-CE2 3.57Å; F558-F560 HydrophobicContact CD1-CD2 3.79Å
561	T	92	Very high	69.4	Low	18 Å²	18	67 Å²	67	11%	0.11	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	143.2	175.4	-172.8	0	0	0	0	113.3	D218 Y219 T532 I534	D218-T561 WeakPolarHBondContact O-CA 3.36Å; D218-T561 PolarHBondContact O-OG1 2.99Å; Y219-T561 WeakPolarHBondContact CD1-OG1 3.44Å; Y219-T561 VanDerWaalsContact CE1-OG1 3.3Å; Y219-T561 WeakPolarHBondContact CE1-OG1 3.24Å; T532-T561 HydrophobicContact CG2-CG2 4.4Å; T532-T561 PolarHBondContact N-O 3.13Å; T532-T561 PolarHBondContact O-N 3.22Å; I534-T561 HydrophobicContact CD1-CG2 3.88Å
562	Q	89.1	Confident	69.1	Low	59 Å²	59	69 Å²	69	28%	0.276	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	148.2	174.4	-176.5	178.4	43.7	0	0	109.5	V217 D218 W531	V217-Q562 CarbonylContact C-O 3.59Å; V217-Q562 WeakPolarHBondContact CA-O 3.45Å; D218-Q562 PolarHBondContact N-O 3.38Å; D218-Q562 PolarHBondContact O-N 3.18Å; D218-Q562 VanDerWaalsContact O-N 3.1Å; W531-Q562 HydrophobicContact CD2-CB 3.57Å; W531-Q562 VanDerWaalsContact CE2-OE1 3.23Å; W531-Q562 HydrophobicContact CE3-CB 4.01Å; W531-Q562 HydrophobicContact CG-CB 3.8Å; W531-Q562 HydrophobicContact CH2-CB 4.44Å; W531-Q562 HydrophobicContact CZ2-CB 4.01Å; W531-Q562 HydrophobicContact CZ3-CB 4.43Å
563	S	85.6	Confident	68.2	Low	51 Å²	51	71.9 Å²	71.9	36%	0.357	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	143.8	170.1	76.4	0	0	0	0	111.6	K215 K216 S565	K215-S563 VanDerWaalsContact CE-CB 3.49Å; K216-S563 VanDerWaalsContact O-CA 3.28Å; K216-S563 WeakPolarHBondContact O-CA 3.48Å; S563-S565 VanDerWaalsContact C-N 3.32Å; S563-S565 PolarHBondContact O-N 3.29Å; S563-S565 PolarHBondContact OG-OG 3.47Å
564	N	76.1	Confident	67.5	Low	64 Å²	64	67.3 Å²	67.3	34%	0.342	39%	0.393	S	S	.	.			trans	-86.5	9.7	-176	-75.6	20	0	0	0	114	K216 S566	K216-N564 HydrophobicContact CB-CB 4.38Å; K216-N564 WeakPolarHBondContact CE-ND2 3.37Å; K216-N564 PolarHBondContact O-N 3.42Å; N564-S566 PolarHBondContact O-N 3.03Å
565	S	55.6	Low	66.4	Low	50 Å²	50	69.4 Å²	69.4	35%	0.35	40%	0.396	S	S	.	.			trans	-75.1	118.3	-176	44.4	0	0	0	0	112.2	S563 E567	S563-S565 VanDerWaalsContact C-N 3.32Å; S563-S565 PolarHBondContact O-N 3.29Å; S563-S565 PolarHBondContact OG-OG 3.47Å; S565-E567 VanDerWaalsContact C-N 3.33Å; S565-E567 PolarHBondContact O-N 3.29Å
566	S	35.8	Very low	64.8	Low	91 Å²	91	71.8 Å²	71.8	64%	0.636	41%	0.409	S	S	*	.			trans	-68.8	78.7	167.1	49.8	0	0	0	0	111.2	N564	N564-S566 PolarHBondContact O-N 3.03Å
567	E	31.6	Very low	62.9	Low	184 Å²	184	76.5 Å²	76.5	86%	0.86	44%	0.436	S	S	*	.			trans	-86.3	13.9	164.3	-81.2	-178.3	170.9	0	0	112.6	S565	S565-E567 VanDerWaalsContact C-N 3.33Å; S565-E567 PolarHBondContact O-N 3.29Å
568	S	27	Very low	60.7	Low	105 Å²	105	81.8 Å²	81.8	73%	0.734	47%	0.466	S	S	*	.	S	Bend	trans	-102.4	5.5	-176.3	54.8	0	0	0	0	116.8
569	C	24.3	Very low	58.2	Low	112 Å²	112	87.8 Å²	87.8	76%	0.757	50%	0.5	S	S	*	.	S	Bend	trans	-143.7	58.7	178.7	-68.4	0	0	0	0	113.9
570	V	25.4	Very low	55.3	Low	137 Å²	137	95.1 Å²	95.1	83%	0.83	54%	0.542	S	S	*	.			trans	-143.7	70.2	152.4	-169.6	0	0	0	0	108
571	H	28.5	Very low	51.9	Low	270 Å²	270	103.7 Å²	103.7	100%	1.25	59%	0.591	S	S	*	*			trans	-140.5	0	157.4	-88.5	-47.4	0	0	0	109.1

Retrieved 571 of 571 residues in 482.1 ms (Link to these results)

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