A0A096M828_POEFO Loading...

Phosphoinositide phospholipase C

AlphaFold DB , UniProt , Accession A0A096M828, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 750 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	31.2	Very low	47.1	Very low	246 Å²	246	113.4 Å²	113.4	100%	1.212	61%	0.605	S	S	*	*				0	118.9	0	-73	174.6	-139.3	0	0	105.5
2	E	26	Very low	50.4	Low	199 Å²	199	111.5 Å²	111.5	93%	0.93	60%	0.603	S	S	*	*			trans	-67.5	136.8	-174.1	-73.6	172.1	150.6	0	0	110.4
3	A	30.2	Very low	53.5	Low	82 Å²	82	107.6 Å²	107.6	68%	0.678	58%	0.579	S	S	*	*			trans	-67.4	126.9	-170.2	0	0	0	0	0	112.9	G5	A3-G5 PolarHBondContact O-N 3.2Å
4	E	35.6	Very low	55.9	Low	173 Å²	173	100.1 Å²	100.1	81%	0.808	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-68.2	-4.7	171.6	-76	-174.8	148	0	0	113.5	S6	E4-S6 VanDerWaalsContact C-N 3.31Å; E4-S6 PolarHBondContact O-N 2.78Å
5	G	38.1	Very low	58.1	Low	51 Å²	51	99.9 Å²	99.9	53%	0.526	53%	0.53	S	S	.	.	G	3₁₀ helix	trans	-68.4	-14.5	-176.7	0	0	0	0	0	116.6	A3	A3-G5 PolarHBondContact O-N 3.2Å
6	S	37.9	Very low	60.2	Low	74 Å²	74	97.4 Å²	97.4	52%	0.517	52%	0.517	S	S	.	.	G	3₁₀ helix	trans	-89.8	-7.1	-173.1	89.4	0	0	0	0	115.5	E4	E4-S6 VanDerWaalsContact C-N 3.31Å; E4-S6 PolarHBondContact O-N 2.78Å
7	Y	50.5	Low	62.2	Low	169 Å²	169	91.6 Å²	91.6	66%	0.663	49%	0.487	S	S	*	.	S	Bend	trans	-87.8	-21.2	-165.6	-71.8	-77.8	0	0	0	116
8	V	59.6	Low	63.6	Low	36 Å²	36	88.8 Å²	88.8	22%	0.218	47%	0.471	C	S	.	.	S	Bend	trans	-80.2	-35.3	-171.6	-179	0	0	0	0	113	D10 D11 V14 L121 K124	V8-D10 VanDerWaalsContact C-N 3.25Å; V8-D10 PolarHBondContact O-N 2.82Å; V8-D11 WeakPolarHBondContact O-CB 3.27Å; V8-D11 PolarHBondContact O-N 3.48Å; V8-V14 HydrophobicContact CG1-CG2 4.12Å; V8-V14 WeakPolarHBondContact O-CB 3.27Å; V8-V14 WeakPolarHBondContact O-CG2 3.39Å; V8-L121 HydrophobicContact CG1-CD2 3.9Å; V8-K124 HydrophobicContact CB-CD 4.14Å; V8-K124 HydrophobicContact CG1-CD 4.13Å; V8-K124 HydrophobicContact CG2-CD 3.97Å; V8-K124 HydrophobicContact CG2-CG 4.44Å
9	Q	57.7	Low	65.1	Low	93 Å²	93	88.1 Å²	88.1	44%	0.435	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-21	177	-71.6	-176	-10.4	0	0	112.7	D11 K15	Q9-D11 VanDerWaalsContact C-N 3.34Å; Q9-K15 WeakPolarHBondContact O-CE 3.38Å; Q9-K15 WeakPolarHBondContact O-CG 3.36Å
10	D	67.1	Low	66.4	Low	104 Å²	104	84.6 Å²	84.6	56%	0.556	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-10	177.7	-89	-38.5	0	0	0	114.6	V8 K15	V8-D10 VanDerWaalsContact C-N 3.25Å; V8-D10 PolarHBondContact O-N 2.82Å; D10-K15 PolarHBondContact O-NZ 2.96Å; D10-K15 WeakPolarHBondContact OD1-CE 3.18Å; D10-K15 IonicContact OD1-NZ 3.54Å; D10-K15 PolarHBondContact OD1-NZ 2.97Å
11	D	83.9	Confident	67.7	Low	20 Å²	20	80.9 Å²	80.9	11%	0.107	44%	0.444	C	S	.	.			trans	-63.1	134	179.4	-175.8	-90.8	0	0	0	112	V8 Q9 H13 V14 K15 K120	V8-D11 WeakPolarHBondContact O-CB 3.27Å; V8-D11 PolarHBondContact O-N 3.48Å; Q9-D11 VanDerWaalsContact C-N 3.34Å; D11-H13 VanDerWaalsContact C-N 3.27Å; D11-H13 PolarHBondContact O-N 2.84Å; D11-H13 WeakPolarHBondContact OD1-CA 3.21Å; D11-H13 WeakPolarHBondContact OD1-CB 3.11Å; D11-H13 IonicContact OD1-CG 3.3Å; D11-H13 PolarHBondContact OD1-N 3.4Å; D11-H13 IonicContact OD1-ND1 2.64Å; D11-V14 HydrophobicContact CB-CB 4.14Å; D11-V14 HydrophobicContact CB-CG2 3.98Å; D11-V14 PolarHBondContact O-N 2.82Å; D11-V14 PolarHBondContact OD1-N 2.61Å; D11-K15 WeakPolarHBondContact O-CB 3.26Å; D11-K15 WeakPolarHBondContact O-CG 3.48Å; D11-K15 PolarHBondContact O-N 3.11Å; D11-K120 IonicContact OD2-NZ 3.86Å; D11-K120 PolarHBondContact OD2-NZ 3.01Å
12	P	87	Confident	70.7	Confident	91 Å²	91	71.9 Å²	71.9	59%	0.591	40%	0.403	S	S	*	.	H	α-helix	trans	-62.1	-31.5	-177.6	24.4	-34.7	0	0	0	113.4	L16	P12-L16 PolarHBondContact O-N 2.96Å; P12-L16 VanDerWaalsContact O-N 3.13Å
13	H	90	Very high	74	Confident	61 Å²	61	62.4 Å²	62.4	28%	0.282	36%	0.359	S	S	.	.	H	α-helix	trans	-74.9	-42.4	178.5	-53.2	136.4	0	0	0	111.4	D11 L16 M17 A113	D11-H13 VanDerWaalsContact C-N 3.27Å; D11-H13 PolarHBondContact O-N 2.84Å; D11-H13 WeakPolarHBondContact OD1-CA 3.21Å; D11-H13 WeakPolarHBondContact OD1-CB 3.11Å; D11-H13 IonicContact OD1-CG 3.3Å; D11-H13 PolarHBondContact OD1-N 3.4Å; D11-H13 IonicContact OD1-ND1 2.64Å; H13-L16 WeakPolarHBondContact O-CB 3.3Å; H13-L16 PolarHBondContact O-N 3.44Å; H13-M17 WeakPolarHBondContact O-CG 3.46Å; H13-M17 PolarHBondContact O-N 3.25Å; H13-A113 HydrophobicContact CB-CB 4.45Å; H13-A113 WeakPolarHBondContact CB-O 3.48Å
14	V	87.9	Confident	77.1	Confident	2 Å²	2	61 Å²	61	1%	0.012	34%	0.336	C	S	.	.	H	α-helix	trans	-63.9	-42.3	175.9	178.4	0	0	0	0	110.4	V8 D11 L16 M17 M18 L39 L121	V8-V14 HydrophobicContact CG1-CG2 4.12Å; V8-V14 WeakPolarHBondContact O-CB 3.27Å; V8-V14 WeakPolarHBondContact O-CG2 3.39Å; D11-V14 HydrophobicContact CB-CB 4.14Å; D11-V14 HydrophobicContact CB-CG2 3.98Å; D11-V14 PolarHBondContact O-N 2.82Å; D11-V14 PolarHBondContact OD1-N 2.61Å; V14-L16 VanDerWaalsContact C-N 3.31Å; V14-L16 PolarHBondContact O-N 2.79Å; V14-M17 PolarHBondContact O-N 3.14Å; V14-M17 VanDerWaalsContact O-N 3.16Å; V14-M18 HydrophobicContact CG1-CG 4.41Å; V14-M18 HydrophobicContact CG1-SD 4.26Å; V14-M18 WeakPolarHBondContact O-CG 3.39Å; V14-M18 PolarHBondContact O-N 3.43Å; V14-L39 HydrophobicContact CG1-CD2 3.77Å; V14-L121 HydrophobicContact CG2-CD2 4.3Å
15	K	89.1	Confident	79.9	Confident	97 Å²	97	54.1 Å²	54.1	42%	0.422	30%	0.303	S	S	.	.	H	α-helix	trans	-58	-40.9	173.2	-78	174.6	171.9	155.4	0	112.6	Q9 D10 D11 M18 A19	Q9-K15 WeakPolarHBondContact O-CE 3.38Å; Q9-K15 WeakPolarHBondContact O-CG 3.36Å; D10-K15 PolarHBondContact O-NZ 2.96Å; D10-K15 WeakPolarHBondContact OD1-CE 3.18Å; D10-K15 IonicContact OD1-NZ 3.54Å; D10-K15 PolarHBondContact OD1-NZ 2.97Å; D11-K15 WeakPolarHBondContact O-CB 3.26Å; D11-K15 WeakPolarHBondContact O-CG 3.48Å; D11-K15 PolarHBondContact O-N 3.11Å; K15-M18 PolarHBondContact O-N 3.33Å; K15-A19 PolarHBondContact O-N 2.99Å
16	L	91.7	Very high	82.5	Confident	60 Å²	60	51.9 Å²	51.9	31%	0.314	28%	0.279	S	S	.	.	H	α-helix	trans	-63.5	-46.4	174.6	-175.9	152.6	0	0	0	111.3	P12 H13 V14 M18 A19 G20 A113	P12-L16 PolarHBondContact O-N 2.96Å; P12-L16 VanDerWaalsContact O-N 3.13Å; H13-L16 WeakPolarHBondContact O-CB 3.3Å; H13-L16 PolarHBondContact O-N 3.44Å; V14-L16 VanDerWaalsContact C-N 3.31Å; V14-L16 PolarHBondContact O-N 2.79Å; L16-M18 VanDerWaalsContact C-N 3.29Å; L16-M18 PolarHBondContact O-N 3.18Å; L16-A19 WeakPolarHBondContact O-CB 3.34Å; L16-A19 PolarHBondContact O-N 3.48Å; L16-A19 VanDerWaalsContact O-N 3.15Å; L16-G20 PolarHBondContact O-N 2.91Å; L16-A113 HydrophobicContact CD1-CB 3.94Å; L16-A113 HydrophobicContact CD2-CB 4.18Å
17	M	93.1	Very high	84.7	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.9	-38.3	176.1	-68.2	173.4	59.4	0	0	112.1	H13 V14 G20 R38 L39 I46 W114 G117 V118 L121	H13-M17 WeakPolarHBondContact O-CG 3.46Å; H13-M17 PolarHBondContact O-N 3.25Å; V14-M17 PolarHBondContact O-N 3.14Å; V14-M17 VanDerWaalsContact O-N 3.16Å; M17-G20 PolarHBondContact O-N 2.71Å; M17-R38 CarbonylContact O-C 3.59Å; M17-R38 WeakPolarHBondContact O-CA 3.28Å; M17-L39 HydrophobicContact CB-CB 3.88Å; M17-L39 HydrophobicContact CE-CB 4.41Å; M17-L39 PolarHBondContact O-N 3.44Å; M17-I46 HydrophobicContact CE-CD1 4.16Å; M17-W114 HydrophobicContact CB-CH2 4.23Å; M17-W114 HydrophobicContact CB-CZ2 4.29Å; M17-W114 HydrophobicContact CB-CZ3 4.49Å; M17-W114 HydrophobicContact CE-CE3 3.85Å; M17-W114 HydrophobicContact CE-CH2 4.42Å; M17-W114 HydrophobicContact CE-CZ3 3.69Å; M17-W114 HydrophobicContact CG-CD2 3.85Å; M17-W114 HydrophobicContact CG-CE3 3.9Å; M17-W114 HydrophobicContact CG-CG 4.42Å; M17-W114 HydrophobicContact CG-CH2 4.16Å; M17-W114 HydrophobicContact CG-CZ2 4.12Å; M17-W114 HydrophobicContact CG-CZ3 4.07Å; M17-W114 HydrophobicContact SD-CE3 4.21Å; M17-W114 HydrophobicContact SD-CZ3 4.5Å; M17-G117 VanDerWaalsContact SD-CA 3.57Å; M17-V118 HydrophobicContact CE-CG2 3.57Å; M17-V118 HydrophobicContact SD-CG2 4.23Å; M17-L121 HydrophobicContact CE-CD1 3.73Å; M17-L121 HydrophobicContact SD-CD1 4.45Å
18	M	88.8	Confident	86.3	Confident	41 Å²	41	48.3 Å²	48.3	20%	0.202	26%	0.263	C	S	.	.	H	α-helix	trans	-69.5	-31.2	175.6	-69.8	-179.7	80.8	0	0	113	V14 K15 L16 G20 R38 L39	V14-M18 HydrophobicContact CG1-CG 4.41Å; V14-M18 HydrophobicContact CG1-SD 4.26Å; V14-M18 WeakPolarHBondContact O-CG 3.39Å; V14-M18 PolarHBondContact O-N 3.43Å; K15-M18 PolarHBondContact O-N 3.33Å; L16-M18 VanDerWaalsContact C-N 3.29Å; L16-M18 PolarHBondContact O-N 3.18Å; M18-G20 VanDerWaalsContact C-N 3.33Å; M18-R38 WeakPolarHBondContact O-CD 3.4Å; M18-R38 WeakPolarHBondContact O-CG 3.44Å; M18-R38 PolarHBondContact O-NE 2.95Å; M18-R38 PolarHBondContact O-NH2 3.43Å; M18-L39 WeakPolarHBondContact CA-O 2.91Å; M18-L39 HydrophobicContact CG-CB 4.15Å; M18-L39 HydrophobicContact CG-CD2 3.92Å; M18-L39 HydrophobicContact CG-CG 4.31Å
19	A	91.1	Very high	87.3	Confident	74 Å²	74	53.3 Å²	53.3	61%	0.612	28%	0.278	S	S	*	.	H	α-helix	trans	-70.2	-34.9	170.1	0	0	0	0	0	111.3	K15 L16	K15-A19 PolarHBondContact O-N 2.99Å; L16-A19 WeakPolarHBondContact O-CB 3.34Å; L16-A19 PolarHBondContact O-N 3.48Å; L16-A19 VanDerWaalsContact O-N 3.15Å
20	G	91.8	Very high	88.5	Confident	19 Å²	19	54.3 Å²	54.3	20%	0.196	30%	0.295	C	S	.	.			trans	94	151	175.9	0	0	0	0	0	113.5	L16 M17 M18 H36 F37	L16-G20 PolarHBondContact O-N 2.91Å; M17-G20 PolarHBondContact O-N 2.71Å; M18-G20 VanDerWaalsContact C-N 3.33Å; G20-H36 VanDerWaalsContact C-CE1 3.5Å; G20-F37 CarbonylContact C-O 3.56Å; G20-F37 WeakPolarHBondContact CA-O 3.49Å
21	S	93.9	Very high	89.6	Confident	6 Å²	6	53.3 Å²	53.3	4%	0.042	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	155.4	-176.2	-78.9	0	0	0	0	111.8	H36 F37 E110 W114	S21-H36 CarbonylContact O-C 3.51Å; S21-H36 WeakPolarHBondContact O-CA 3.41Å; S21-H36 PolarHBondContact O-ND1 2.92Å; S21-F37 PolarHBondContact N-O 2.69Å; S21-F37 PolarHBondContact O-N 2.79Å; S21-E110 WeakPolarHBondContact CB-OE1 3.39Å; S21-E110 PolarHBondContact OG-OE1 2.92Å; S21-W114 PolarHBondContact OG-NE1 2.71Å
22	T	94.3	Very high	90	Very high	57 Å²	57	54.6 Å²	54.6	35%	0.35	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	99.4	170.7	-60.9	0	0	0	0	109	Q34 R35	T22-Q34 HydrophobicContact CG2-CB 3.94Å; T22-Q34 HydrophobicContact CG2-CG 4.09Å; T22-R35 WeakPolarHBondContact CA-O 3.36Å
23	L	95.4	Very high	90.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	149.5	179.9	-52.7	174	0	0	0	110.2	K25 Q34 R35 F37 F90 L103 A105 E110 W114	L23-K25 PolarHBondContact O-N 3.23Å; L23-Q34 CarbonylContact O-C 3.55Å; L23-Q34 WeakPolarHBondContact O-CA 3.45Å; L23-R35 PolarHBondContact N-O 3.16Å; L23-R35 PolarHBondContact O-N 3.35Å; L23-R35 VanDerWaalsContact O-O 3.05Å; L23-F37 HydrophobicContact CB-CD2 3.72Å; L23-F37 HydrophobicContact CB-CE2 3.97Å; L23-F37 HydrophobicContact CD1-CB 4.22Å; L23-F37 HydrophobicContact CD1-CD2 3.95Å; L23-F37 HydrophobicContact CD1-CG 4.18Å; L23-F37 HydrophobicContact CG-CD2 4.08Å; L23-F90 HydrophobicContact CD1-CZ 3.9Å; L23-L103 HydrophobicContact CB-CD2 4.46Å; L23-L103 HydrophobicContact CD1-CD1 4.02Å; L23-A105 HydrophobicContact CD2-CB 3.87Å; L23-E110 HydrophobicContact CD2-CG 4.33Å; L23-W114 HydrophobicContact CD1-CD2 3.93Å; L23-W114 HydrophobicContact CD1-CE3 4.37Å; L23-W114 HydrophobicContact CD1-CG 4.19Å; L23-W114 HydrophobicContact CD1-CZ2 4.42Å
24	R	95	Very high	90.3	Very high	54 Å²	54	57 Å²	57	20%	0.204	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	108.2	173.7	-176.1	175.8	-74.6	102.4	2.5	108.8	K32 L103 V104 D106	R24-K32 HydrophobicContact CG-CB 4.09Å; R24-L103 WeakPolarHBondContact O-CA 3.23Å; R24-V104 HydrophobicContact CB-CB 4.23Å; R24-V104 PolarHBondContact N-O 2.83Å; R24-V104 PolarHBondContact O-N 3.4Å; R24-D106 IonicContact NH1-OD1 3.78Å
25	K	94.5	Very high	90.5	Very high	28 Å²	28	59.7 Å²	59.7	12%	0.122	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	124.3	170.6	-176.3	172.8	177.3	154.9	0	109.3	L23 W31 K33 R35 F37 Y48 L101 L103	L23-K25 PolarHBondContact O-N 3.23Å; K25-W31 HydrophobicContact CB-CZ3 4.36Å; K25-W31 HydrophobicContact CD-CZ3 4.47Å; K25-W31 HydrophobicContact CG-CZ3 4.11Å; K25-W31 WeakPolarHBondContact O-CZ3 3.36Å; K25-K33 PolarHBondContact N-O 2.92Å; K25-K33 PolarHBondContact O-N 2.8Å; K25-R35 HydrophobicContact CB-CG 4.02Å; K25-F37 HydrophobicContact CB-CZ 4.46Å; K25-Y48 PolarHBondContact NZ-OH 3.45Å; K25-Y48 VanDerWaalsContact NZ-OH 3.14Å; K25-L101 HydrophobicContact CD-CD1 3.6Å; K25-L101 HydrophobicContact CG-CD1 3.74Å; K25-L103 HydrophobicContact CB-CD2 4.23Å
26	V	92	Very high	90.7	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.018	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	136.3	179.4	-168.1	0	0	0	0	108.6	K32 V76 I80 D102 V104	V26-K32 HydrophobicContact CB-CG 4.46Å; V26-K32 HydrophobicContact CG1-CG 3.92Å; V26-K32 HydrophobicContact CG2-CG 4.17Å; V26-V76 HydrophobicContact CB-CG1 4.09Å; V26-V76 HydrophobicContact CG1-CG1 3.5Å; V26-V76 VanDerWaalsContact CG1-CG1 3.5Å; V26-I80 HydrophobicContact CG1-CD1 4.12Å; V26-I80 HydrophobicContact CG1-CG2 4.48Å; V26-I80 HydrophobicContact CG2-CD1 3.97Å; V26-D102 HydrophobicContact CB-CB 4.11Å; V26-D102 PolarHBondContact N-O 2.84Å; V26-V104 HydrophobicContact CG2-CG2 3.79Å
27	K	85.4	Confident	90.8	Very high	127 Å²	127	55.4 Å²	55.4	55%	0.552	28%	0.28	S	S	*	.	S	Bend	trans	-122.2	-23.7	169.8	-73	-171.8	169.9	-155.2	0	112.4	W31	K27-W31 HydrophobicContact CB-CB 4.27Å; K27-W31 HydrophobicContact CB-CD2 4.1Å; K27-W31 HydrophobicContact CB-CE3 3.58Å; K27-W31 HydrophobicContact CB-CG 4.4Å; K27-W31 HydrophobicContact CB-CZ3 4.27Å; K27-W31 HydrophobicContact CD-CD2 4.12Å; K27-W31 HydrophobicContact CD-CE3 3.8Å; K27-W31 HydrophobicContact CD-CH2 4.23Å; K27-W31 HydrophobicContact CD-CZ2 4.5Å; K27-W31 HydrophobicContact CD-CZ3 3.88Å; K27-W31 HydrophobicContact CG-CD2 4.24Å; K27-W31 HydrophobicContact CG-CE3 3.51Å; K27-W31 HydrophobicContact CG-CH2 4.48Å; K27-W31 HydrophobicContact CG-CZ3 3.67Å; K27-W31 PolarHBondContact N-O 2.77Å
28	S	82.5	Confident	90.9	Very high	41 Å²	41	60 Å²	60	29%	0.287	30%	0.297	S	S	.	.	S	Bend	trans	-163.4	172	176.5	68.4	0	0	0	0	109.1	S30 W31	S28-S30 PolarHBondContact O-N 2.91Å; S28-S30 VanDerWaalsContact O-N 3.14Å; S28-S30 PolarHBondContact OG-N 3.38Å; S28-S30 PolarHBondContact OG-OG 3.38Å; S28-W31 PolarHBondContact N-O 3.46Å; S28-W31 CarbonylContact O-C 3.59Å; S28-W31 PolarHBondContact O-N 3.35Å; S28-W31 VanDerWaalsContact O-N 3.16Å; S28-W31 VanDerWaalsContact O-O 3.09Å; S28-W31 WeakPolarHBondContact OG-CB 3.4Å; S28-W31 PolarHBondContact OG-N 2.86Å
29	R	81.6	Confident	90.9	Very high	141 Å²	141	58.1 Å²	58.1	53%	0.532	29%	0.288	S	S	.	.	S	Bend	trans	-54.3	-30.7	172.1	-169	176	-177.5	171.7	8	113.3	K32 I80 E82 E83	R29-K32 WeakPolarHBondContact O-CE 3.31Å; R29-K32 PolarHBondContact O-NZ 3.2Å; R29-I80 HydrophobicContact CB-CG2 4.47Å; R29-I80 HydrophobicContact CG-CG2 4.44Å; R29-E82 IonicContact NH2-OE2 3.6Å; R29-E83 IonicContact NE-OE1 3.88Å
30	S	83.6	Confident	90.5	Very high	114 Å²	114	57.2 Å²	57.2	80%	0.797	27%	0.273	S	S	*	.	S	Bend	trans	-93.9	-24.7	178.5	59.1	0	0	0	0	113.7	S28	S28-S30 PolarHBondContact O-N 2.91Å; S28-S30 VanDerWaalsContact O-N 3.14Å; S28-S30 PolarHBondContact OG-N 3.38Å; S28-S30 PolarHBondContact OG-OG 3.38Å
31	W	88.7	Confident	89.6	Confident	84 Å²	84	60.7 Å²	60.7	32%	0.318	28%	0.284	S	S	.	.			trans	-106.1	103	-178.2	-161.5	100.3	0	0	0	111.6	K25 K27 S28 K33	K25-W31 HydrophobicContact CB-CZ3 4.36Å; K25-W31 HydrophobicContact CD-CZ3 4.47Å; K25-W31 HydrophobicContact CG-CZ3 4.11Å; K25-W31 WeakPolarHBondContact O-CZ3 3.36Å; K27-W31 HydrophobicContact CB-CB 4.27Å; K27-W31 HydrophobicContact CB-CD2 4.1Å; K27-W31 HydrophobicContact CB-CE3 3.58Å; K27-W31 HydrophobicContact CB-CG 4.4Å; K27-W31 HydrophobicContact CB-CZ3 4.27Å; K27-W31 HydrophobicContact CD-CD2 4.12Å; K27-W31 HydrophobicContact CD-CE3 3.8Å; K27-W31 HydrophobicContact CD-CH2 4.23Å; K27-W31 HydrophobicContact CD-CZ2 4.5Å; K27-W31 HydrophobicContact CD-CZ3 3.88Å; K27-W31 HydrophobicContact CG-CD2 4.24Å; K27-W31 HydrophobicContact CG-CE3 3.51Å; K27-W31 HydrophobicContact CG-CH2 4.48Å; K27-W31 HydrophobicContact CG-CZ3 3.67Å; K27-W31 PolarHBondContact N-O 2.77Å; S28-W31 PolarHBondContact N-O 3.46Å; S28-W31 CarbonylContact O-C 3.59Å; S28-W31 PolarHBondContact O-N 3.35Å; S28-W31 VanDerWaalsContact O-N 3.16Å; S28-W31 VanDerWaalsContact O-O 3.09Å; S28-W31 WeakPolarHBondContact OG-CB 3.4Å; S28-W31 PolarHBondContact OG-N 2.86Å; W31-K33 HydrophobicContact CD2-CG 4.23Å; W31-K33 HydrophobicContact CE3-CG 4.38Å; W31-K33 HydrophobicContact CH2-CB 3.96Å; W31-K33 HydrophobicContact CH2-CG 3.88Å; W31-K33 HydrophobicContact CZ2-CB 4.28Å; W31-K33 HydrophobicContact CZ2-CG 3.68Å; W31-K33 HydrophobicContact CZ3-CB 4.19Å; W31-K33 HydrophobicContact CZ3-CG 4.21Å
32	K	92.4	Very high	88.2	Confident	46 Å²	46	61 Å²	61	20%	0.2	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	123.8	176.6	-74.2	166.3	-75	-150.7	0	108.8	R24 V26 R29 I80 E83 F84	R24-K32 HydrophobicContact CG-CB 4.09Å; V26-K32 HydrophobicContact CB-CG 4.46Å; V26-K32 HydrophobicContact CG1-CG 3.92Å; V26-K32 HydrophobicContact CG2-CG 4.17Å; R29-K32 WeakPolarHBondContact O-CE 3.31Å; R29-K32 PolarHBondContact O-NZ 3.2Å; K32-I80 HydrophobicContact CD-CG2 4.48Å; K32-E83 IonicContact NZ-OE1 2.92Å; K32-E83 PolarHBondContact NZ-OE1 3.41Å; K32-E83 IonicContact NZ-OE2 2.6Å; K32-E83 PolarHBondContact NZ-OE2 3.25Å; K32-F84 HydrophobicContact CD-CE2 3.94Å
33	K	91.6	Very high	87.2	Confident	104 Å²	104	58.6 Å²	58.6	45%	0.452	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	131.3	-179.4	-64.1	-66.7	178.2	-168	0	111.5	K25 W31	K25-K33 PolarHBondContact N-O 2.92Å; K25-K33 PolarHBondContact O-N 2.8Å; W31-K33 HydrophobicContact CD2-CG 4.23Å; W31-K33 HydrophobicContact CE3-CG 4.38Å; W31-K33 HydrophobicContact CH2-CB 3.96Å; W31-K33 HydrophobicContact CH2-CG 3.88Å; W31-K33 HydrophobicContact CZ2-CB 4.28Å; W31-K33 HydrophobicContact CZ2-CG 3.68Å; W31-K33 HydrophobicContact CZ3-CB 4.19Å; W31-K33 HydrophobicContact CZ3-CG 4.21Å
34	Q	92.1	Very high	86.2	Confident	100 Å²	100	59.7 Å²	59.7	47%	0.467	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	135.6	170.2	-80.4	178	-31.8	0	0	110.9	T22 L23	T22-Q34 HydrophobicContact CG2-CB 3.94Å; T22-Q34 HydrophobicContact CG2-CG 4.09Å; L23-Q34 CarbonylContact O-C 3.55Å; L23-Q34 WeakPolarHBondContact O-CA 3.45Å
35	R	92.8	Very high	85.5	Confident	57 Å²	57	58.4 Å²	58.4	22%	0.215	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	138.7	-177.8	-62.6	-73.3	175.9	-97.8	5.7	106.9	T22 L23 K25 F37 K49	T22-R35 WeakPolarHBondContact CA-O 3.36Å; L23-R35 PolarHBondContact N-O 3.16Å; L23-R35 PolarHBondContact O-N 3.35Å; L23-R35 VanDerWaalsContact O-O 3.05Å; K25-R35 HydrophobicContact CB-CG 4.02Å; R35-F37 HydrophobicContact CB-CD2 4.07Å; R35-F37 HydrophobicContact CB-CE2 3.52Å; R35-F37 HydrophobicContact CB-CZ 4.15Å; R35-F37 HydrophobicContact CG-CE2 4.45Å; R35-F37 WeakPolarHBondContact O-CD2 3.46Å; R35-K49 WeakPolarHBondContact CD-O 3.42Å
36	H	93	Very high	85.2	Confident	67 Å²	67	57 Å²	57	31%	0.31	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	119.9	172.9	-171.8	57	0	0	0	108.1	G20 S21 W47 Y48 K49	G20-H36 VanDerWaalsContact C-CE1 3.5Å; S21-H36 CarbonylContact O-C 3.51Å; S21-H36 WeakPolarHBondContact O-CA 3.41Å; S21-H36 PolarHBondContact O-ND1 2.92Å; H36-W47 AromaticContact CD2-CZ3 3.87Å; H36-Y48 CarbonylContact O-C 3.6Å; H36-Y48 WeakPolarHBondContact O-CA 3.42Å; H36-Y48 WeakPolarHBondContact O-CB 3.46Å; H36-K49 PolarHBondContact O-N 2.91Å
37	F	94.4	Very high	85.1	Confident	1 Å²	1	59.7 Å²	59.7	0%	0.004	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	142.2	176.6	-72.4	-95.7	0	0	0	109.4	G20 S21 L23 K25 R35 I46 W47 Y48 L101 L103 W114	G20-F37 CarbonylContact C-O 3.56Å; G20-F37 WeakPolarHBondContact CA-O 3.49Å; S21-F37 PolarHBondContact N-O 2.69Å; S21-F37 PolarHBondContact O-N 2.79Å; L23-F37 HydrophobicContact CB-CD2 3.72Å; L23-F37 HydrophobicContact CB-CE2 3.97Å; L23-F37 HydrophobicContact CD1-CB 4.22Å; L23-F37 HydrophobicContact CD1-CD2 3.95Å; L23-F37 HydrophobicContact CD1-CG 4.18Å; L23-F37 HydrophobicContact CG-CD2 4.08Å; K25-F37 HydrophobicContact CB-CZ 4.46Å; R35-F37 HydrophobicContact CB-CD2 4.07Å; R35-F37 HydrophobicContact CB-CE2 3.52Å; R35-F37 HydrophobicContact CB-CZ 4.15Å; R35-F37 HydrophobicContact CG-CE2 4.45Å; R35-F37 WeakPolarHBondContact O-CD2 3.46Å; F37-I46 HydrophobicContact CD1-CG2 4.24Å; F37-W47 CarbonylContact C-O 3.47Å; F37-W47 WeakPolarHBondContact CA-O 3.34Å; F37-Y48 HydrophobicContact CD1-CD1 4.18Å; F37-Y48 AromaticContact CD1-CG 3.96Å; F37-Y48 HydrophobicContact CD1-CG 3.96Å; F37-Y48 VanDerWaalsContact CE1-CB 3.49Å; F37-Y48 AromaticContact CE1-CD1 3.7Å; F37-Y48 HydrophobicContact CE1-CD1 3.7Å; F37-Y48 HydrophobicContact CE1-CD2 4.18Å; F37-Y48 HydrophobicContact CE1-CE1 4.44Å; F37-Y48 AromaticContact CE1-CG 3.53Å; F37-Y48 HydrophobicContact CE1-CG 3.53Å; F37-Y48 HydrophobicContact CZ-CD2 4.24Å; F37-Y48 HydrophobicContact CZ-CG 4.03Å; F37-L101 HydrophobicContact CE1-CD2 3.95Å; F37-L101 HydrophobicContact CZ-CD2 4.38Å; F37-L103 HydrophobicContact CE1-CD2 4.19Å; F37-L103 HydrophobicContact CE2-CD2 3.6Å; F37-L103 HydrophobicContact CZ-CD2 3.44Å; F37-L103 VanDerWaalsContact CZ-CD2 3.44Å; F37-W114 HydrophobicContact CB-CH2 3.59Å; F37-W114 HydrophobicContact CB-CZ2 3.9Å; F37-W114 HydrophobicContact CB-CZ3 4.28Å
38	R	93.4	Very high	85.3	Confident	97 Å²	97	55.3 Å²	55.3	37%	0.366	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	137.6	-179.4	-177.9	176.9	174.7	-177.8	0.4	110.7	M17 M18 W47	M17-R38 CarbonylContact O-C 3.59Å; M17-R38 WeakPolarHBondContact O-CA 3.28Å; M18-R38 WeakPolarHBondContact O-CD 3.4Å; M18-R38 WeakPolarHBondContact O-CG 3.44Å; M18-R38 PolarHBondContact O-NE 2.95Å; M18-R38 PolarHBondContact O-NH2 3.43Å; R38-W47 HydrophobicContact CB-CE3 4.23Å; R38-W47 PolarHBondContact N-O 3.3Å; R38-W47 PolarHBondContact O-N 3.31Å
39	L	89.6	Confident	85.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	129.9	166.2	-173.4	70.4	0	0	0	109.4	V14 M17 M18 I46 V62 L121	V14-L39 HydrophobicContact CG1-CD2 3.77Å; M17-L39 HydrophobicContact CB-CB 3.88Å; M17-L39 HydrophobicContact CE-CB 4.41Å; M17-L39 PolarHBondContact O-N 3.44Å; M18-L39 WeakPolarHBondContact CA-O 2.91Å; M18-L39 HydrophobicContact CG-CB 4.15Å; M18-L39 HydrophobicContact CG-CD2 3.92Å; M18-L39 HydrophobicContact CG-CG 4.31Å; L39-I46 HydrophobicContact CD1-CG1 3.9Å; L39-V62 HydrophobicContact CD1-CG2 4.47Å; L39-L121 HydrophobicContact CD1-CD1 3.7Å; L39-L121 HydrophobicContact CD2-CD1 3.61Å; L39-L121 HydrophobicContact CD2-CD2 4.39Å; L39-L121 HydrophobicContact CG-CD1 4.3Å
40	L	83.1	Confident	84.8	Confident	56 Å²	56	53.2 Å²	53.2	29%	0.293	25%	0.25	S	S	.	.			trans	-75.4	170.1	177.8	-60.8	-171.8	0	0	0	111.5	D42 G43 T45 W47	L40-D42 PolarHBondContact O-N 3.36Å; L40-G43 PolarHBondContact O-N 2.95Å; L40-T45 HydrophobicContact CD1-CG2 3.64Å; L40-T45 HydrophobicContact CG-CG2 4.2Å; L40-T45 PolarHBondContact N-O 2.8Å; L40-W47 HydrophobicContact CD1-CB 4.34Å; L40-W47 HydrophobicContact CD2-CB 3.71Å; L40-W47 HydrophobicContact CD2-CG 4.31Å; L40-W47 HydrophobicContact CG-CB 4.01Å
41	E	72.4	Confident	83.6	Confident	91 Å²	91	59.1 Å²	59.1	43%	0.425	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-22	-176.2	-69.7	168.4	-165.5	0	0	112.9	G43 K149	E41-G43 PolarHBondContact O-N 2.86Å; E41-K149 IonicContact OE1-NZ 2.91Å; E41-K149 PolarHBondContact OE1-NZ 2.92Å; E41-K149 IonicContact OE2-NZ 2.91Å; E41-K149 PolarHBondContact OE2-NZ 2.87Å
42	D	63.9	Low	81.7	Confident	12 Å²	12	65.5 Å²	65.5	6%	0.064	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.1	172.4	61.3	16	0	0	0	113.5	L40 L44 T45 D140	L40-D42 PolarHBondContact O-N 3.36Å; D42-L44 PolarHBondContact O-N 3.23Å; D42-L44 VanDerWaalsContact O-N 3.15Å; D42-L44 PolarHBondContact OD1-N 3.14Å; D42-T45 WeakPolarHBondContact OD1-CB 3.42Å; D42-T45 PolarHBondContact OD1-N 3.04Å; D42-T45 WeakPolarHBondContact OD2-CB 3.5Å; D42-T45 PolarHBondContact OD2-OG1 2.99Å; D42-D140 HydrophobicContact CB-CB 4.43Å; D42-D140 WeakPolarHBondContact CB-OD1 3.42Å
43	G	73.3	Confident	79.2	Confident	8 Å²	8	67.1 Å²	67.1	8%	0.082	30%	0.302	C	S	.	.	S	Bend	trans	67.7	7.8	-178.5	0	0	0	0	0	114.3	L40 E41 L121	L40-G43 PolarHBondContact O-N 2.95Å; E41-G43 PolarHBondContact O-N 2.86Å; G43-L121 WeakPolarHBondContact O-CD2 3.41Å
44	L	74.3	Confident	77.1	Confident	22 Å²	22	66.3 Å²	66.3	12%	0.115	32%	0.322	C	S	.	.	S	Bend	trans	-128.3	-19.8	-176	-68.4	175.5	0	0	0	112.7	D42 S61 V62 M63 Q136	D42-L44 PolarHBondContact O-N 3.23Å; D42-L44 VanDerWaalsContact O-N 3.15Å; D42-L44 PolarHBondContact OD1-N 3.14Å; L44-S61 CarbonylContact O-C 3.44Å; L44-V62 WeakPolarHBondContact O-CG2 3.34Å; L44-V62 PolarHBondContact O-N 3.38Å; L44-M63 HydrophobicContact CD2-SD 4.49Å; L44-Q136 HydrophobicContact CD1-CG 4.22Å
45	T	80	Confident	75.3	Confident	27 Å²	27	66.5 Å²	66.5	17%	0.166	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.4	-179	-57.8	0	0	0	0	110.9	L40 D42 T59	L40-T45 HydrophobicContact CD1-CG2 3.64Å; L40-T45 HydrophobicContact CG-CG2 4.2Å; L40-T45 PolarHBondContact N-O 2.8Å; D42-T45 WeakPolarHBondContact OD1-CB 3.42Å; D42-T45 PolarHBondContact OD1-N 3.04Å; D42-T45 WeakPolarHBondContact OD2-CB 3.5Å; D42-T45 PolarHBondContact OD2-OG1 2.99Å; T45-T59 HydrophobicContact CG2-CG2 4.12Å
46	I	88.9	Confident	74.2	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	120.2	169.7	-64	172.3	0	0	0	109.1	M17 F37 L39 T59 F60 V62 W114 V118	M17-I46 HydrophobicContact CE-CD1 4.16Å; F37-I46 HydrophobicContact CD1-CG2 4.24Å; L39-I46 HydrophobicContact CD1-CG1 3.9Å; I46-T59 CarbonylContact O-C 3.6Å; I46-T59 VanDerWaalsContact O-CA 3.28Å; I46-T59 WeakPolarHBondContact O-CA 3.45Å; I46-F60 HydrophobicContact CB-CD1 4.42Å; I46-F60 HydrophobicContact CB-CD2 4.26Å; I46-F60 HydrophobicContact CB-CE1 3.93Å; I46-F60 HydrophobicContact CB-CE2 3.77Å; I46-F60 HydrophobicContact CB-CZ 3.58Å; I46-F60 HydrophobicContact CD1-CE2 3.74Å; I46-F60 HydrophobicContact CD1-CZ 3.9Å; I46-F60 HydrophobicContact CG1-CE2 4.24Å; I46-F60 HydrophobicContact CG1-CZ 4.32Å; I46-F60 HydrophobicContact CG2-CE1 3.66Å; I46-F60 HydrophobicContact CG2-CE2 4.2Å; I46-F60 HydrophobicContact CG2-CZ 3.48Å; I46-F60 VanDerWaalsContact CG2-CZ 3.48Å; I46-F60 PolarHBondContact N-O 3Å; I46-F60 PolarHBondContact O-N 3.22Å; I46-V62 HydrophobicContact CD1-CG2 4Å; I46-V62 HydrophobicContact CG1-CG2 4.15Å; I46-W114 HydrophobicContact CD1-CZ3 4.46Å; I46-W114 HydrophobicContact CG2-CZ3 4.44Å; I46-V118 HydrophobicContact CD1-CG2 4.17Å
47	W	90.6	Very high	73.5	Confident	59 Å²	59	66.8 Å²	66.8	22%	0.223	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	144.1	176.2	175.1	99.5	0	0	0	110.5	H36 F37 R38 L40 K49 H57 T59	H36-W47 AromaticContact CD2-CZ3 3.87Å; F37-W47 CarbonylContact C-O 3.47Å; F37-W47 WeakPolarHBondContact CA-O 3.34Å; R38-W47 HydrophobicContact CB-CE3 4.23Å; R38-W47 PolarHBondContact N-O 3.3Å; R38-W47 PolarHBondContact O-N 3.31Å; L40-W47 HydrophobicContact CD1-CB 4.34Å; L40-W47 HydrophobicContact CD2-CB 3.71Å; L40-W47 HydrophobicContact CD2-CG 4.31Å; L40-W47 HydrophobicContact CG-CB 4.01Å; W47-K49 HydrophobicContact CH2-CB 3.79Å; W47-K49 HydrophobicContact CH2-CG 4.48Å; W47-K49 HydrophobicContact CZ2-CB 4.43Å; W47-K49 HydrophobicContact CZ3-CB 4.29Å; W47-H57 AromaticContact CD1-CD2 3.65Å; W47-H57 VanDerWaalsContact CE2-CB 3.47Å; W47-H57 HydrophobicContact CZ2-CB 3.64Å; W47-H57 AromaticContact NE1-CD2 3.3Å; W47-H57 PolarHBondContact NE1-CD2 2.84Å; W47-H57 VanDerWaalsContact NE1-CD2 3.3Å; W47-H57 AromaticContact NE1-CG 3.22Å; W47-T59 HydrophobicContact CB-CG2 4.09Å; W47-T59 HydrophobicContact CG-CG2 4.25Å
48	Y	89.4	Confident	73	Confident	34 Å²	34	68.4 Å²	68.4	13%	0.133	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	145.5	167	70.5	-85.6	0	0	0	114.2	K25 H36 F37 S50 H57 S58 F60	K25-Y48 PolarHBondContact NZ-OH 3.45Å; K25-Y48 VanDerWaalsContact NZ-OH 3.14Å; H36-Y48 CarbonylContact O-C 3.6Å; H36-Y48 WeakPolarHBondContact O-CA 3.42Å; H36-Y48 WeakPolarHBondContact O-CB 3.46Å; F37-Y48 HydrophobicContact CD1-CD1 4.18Å; F37-Y48 AromaticContact CD1-CG 3.96Å; F37-Y48 HydrophobicContact CD1-CG 3.96Å; F37-Y48 VanDerWaalsContact CE1-CB 3.49Å; F37-Y48 AromaticContact CE1-CD1 3.7Å; F37-Y48 HydrophobicContact CE1-CD1 3.7Å; F37-Y48 HydrophobicContact CE1-CD2 4.18Å; F37-Y48 HydrophobicContact CE1-CE1 4.44Å; F37-Y48 AromaticContact CE1-CG 3.53Å; F37-Y48 HydrophobicContact CE1-CG 3.53Å; F37-Y48 HydrophobicContact CZ-CD2 4.24Å; F37-Y48 HydrophobicContact CZ-CG 4.03Å; Y48-S50 PolarHBondContact O-N 3.1Å; Y48-H57 CarbonylContact O-C 3.52Å; Y48-H57 WeakPolarHBondContact O-CA 3.41Å; Y48-S58 VanDerWaalsContact CZ-CB 3.46Å; Y48-S58 PolarHBondContact N-O 3.04Å; Y48-S58 PolarHBondContact O-N 2.76Å; Y48-F60 HydrophobicContact CD1-CD1 4.31Å; Y48-F60 HydrophobicContact CD1-CE1 4.13Å; Y48-F60 HydrophobicContact CE1-CD1 4.11Å; Y48-F60 HydrophobicContact CE1-CE1 4.21Å
49	K	82.1	Confident	72.5	Confident	130 Å²	130	67.6 Å²	67.6	57%	0.565	36%	0.356	S	S	*	.			trans	-66.8	120.6	178.8	-167.5	176.3	-172.8	170.5	0	110.5	R35 H36 W47	R35-K49 WeakPolarHBondContact CD-O 3.42Å; H36-K49 PolarHBondContact O-N 2.91Å; W47-K49 HydrophobicContact CH2-CB 3.79Å; W47-K49 HydrophobicContact CH2-CG 4.48Å; W47-K49 HydrophobicContact CZ2-CB 4.43Å; W47-K49 HydrophobicContact CZ3-CB 4.29Å
50	S	71.7	Confident	72.3	Confident	8 Å²	8	68.5 Å²	68.5	6%	0.056	36%	0.359	C	S	.	.			trans	-132.9	151.9	-175.8	127.3	0	0	0	0	109.4	Y48 W52 G56 H57 S58	Y48-S50 PolarHBondContact O-N 3.1Å; S50-W52 PolarHBondContact OG-N 2.9Å; S50-G56 PolarHBondContact N-O 3.25Å; S50-G56 CarbonylContact O-C 3.54Å; S50-G56 VanDerWaalsContact O-CA 3.29Å; S50-G56 WeakPolarHBondContact O-CA 3.33Å; S50-H57 PolarHBondContact O-N 2.91Å; S50-S58 VanDerWaalsContact CB-OG 3.23Å; S50-S58 WeakPolarHBondContact CB-OG 3.21Å; S50-S58 PolarHBondContact OG-OG 3.44Å
51	R	58.6	Low	72.2	Confident	239 Å²	239	67.3 Å²	67.3	90%	0.902	36%	0.356	S	S	*	.			trans	-107.7	14.5	178	-80.5	-170.7	167.8	-176.6	-2.7	112.1
52	W	47.5	Very low	72.7	Confident	217 Å²	217	63 Å²	63	82%	0.822	34%	0.336	S	S	*	.	S	Bend	trans	-92.9	134.9	-172.5	-164.3	-136.8	0	0	0	112.4	S50 G54	S50-W52 PolarHBondContact OG-N 2.9Å; W52-G54 PolarHBondContact O-N 3.33Å
53	A	41.5	Very low	73.3	Confident	81 Å²	81	65.3 Å²	65.3	67%	0.669	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	45.8	171.4	0	0	0	0	0	116.9	K55	A53-K55 PolarHBondContact O-N 2.94Å
54	G	47.6	Very low	73.6	Confident	86 Å²	86	67.5 Å²	67.5	89%	0.887	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	-13	169.4	0	0	0	0	0	115.9	W52	W52-G54 PolarHBondContact O-N 3.33Å
55	K	53.4	Low	74.2	Confident	104 Å²	104	66.5 Å²	66.5	45%	0.452	35%	0.352	S	S	.	.			trans	-92.2	127	167.3	-71.1	-178.1	173.7	177.9	0	109.4	A53 H57 Q638	A53-K55 PolarHBondContact O-N 2.94Å; K55-H57 PolarHBondContact O-N 2.84Å; K55-Q638 VanDerWaalsContact CE-OE1 3.28Å
56	G	69	Low	74.5	Confident	48 Å²	48	68.4 Å²	68.4	50%	0.495	36%	0.359	S	S	.	.	S	Bend	trans	-71.1	9.2	178.2	0	0	0	0	0	115	S50	S50-G56 PolarHBondContact N-O 3.25Å; S50-G56 CarbonylContact O-C 3.54Å; S50-G56 VanDerWaalsContact O-CA 3.29Å; S50-G56 WeakPolarHBondContact O-CA 3.33Å
57	H	78.1	Confident	74.5	Confident	82 Å²	82	70 Å²	70	38%	0.38	37%	0.372	S	S	.	.			trans	-160.2	165.2	-175.4	62.8	-84.5	0	0	0	112.3	W47 Y48 S50 K55	W47-H57 AromaticContact CD1-CD2 3.65Å; W47-H57 VanDerWaalsContact CE2-CB 3.47Å; W47-H57 HydrophobicContact CZ2-CB 3.64Å; W47-H57 AromaticContact NE1-CD2 3.3Å; W47-H57 PolarHBondContact NE1-CD2 2.84Å; W47-H57 VanDerWaalsContact NE1-CD2 3.3Å; W47-H57 AromaticContact NE1-CG 3.22Å; Y48-H57 CarbonylContact O-C 3.52Å; Y48-H57 WeakPolarHBondContact O-CA 3.41Å; S50-H57 PolarHBondContact O-N 2.91Å; K55-H57 PolarHBondContact O-N 2.84Å
58	S	83.8	Confident	74.6	Confident	35 Å²	35	67.7 Å²	67.7	25%	0.245	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	154.2	173.5	-63.7	0	0	0	0	109.1	Y48 S50	Y48-S58 VanDerWaalsContact CZ-CB 3.46Å; Y48-S58 PolarHBondContact N-O 3.04Å; Y48-S58 PolarHBondContact O-N 2.76Å; S50-S58 VanDerWaalsContact CB-OG 3.23Å; S50-S58 WeakPolarHBondContact CB-OG 3.21Å; S50-S58 PolarHBondContact OG-OG 3.44Å
59	T	83.9	Confident	74.8	Confident	80 Å²	80	67.1 Å²	67.1	49%	0.491	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	155.5	179.8	52	0	0	0	0	109.9	T45 I46 W47	T45-T59 HydrophobicContact CG2-CG2 4.12Å; I46-T59 CarbonylContact O-C 3.6Å; I46-T59 VanDerWaalsContact O-CA 3.28Å; I46-T59 WeakPolarHBondContact O-CA 3.45Å; W47-T59 HydrophobicContact CB-CG2 4.09Å; W47-T59 HydrophobicContact CG-CG2 4.25Å
60	F	84.3	Confident	75.4	Confident	19 Å²	19	63.8 Å²	63.8	8%	0.083	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	155.7	166.5	60.3	-89.4	0	0	0	109.5	I46 Y48 V65 L92 F94 L101	I46-F60 HydrophobicContact CB-CD1 4.42Å; I46-F60 HydrophobicContact CB-CD2 4.26Å; I46-F60 HydrophobicContact CB-CE1 3.93Å; I46-F60 HydrophobicContact CB-CE2 3.77Å; I46-F60 HydrophobicContact CB-CZ 3.58Å; I46-F60 HydrophobicContact CD1-CE2 3.74Å; I46-F60 HydrophobicContact CD1-CZ 3.9Å; I46-F60 HydrophobicContact CG1-CE2 4.24Å; I46-F60 HydrophobicContact CG1-CZ 4.32Å; I46-F60 HydrophobicContact CG2-CE1 3.66Å; I46-F60 HydrophobicContact CG2-CE2 4.2Å; I46-F60 HydrophobicContact CG2-CZ 3.48Å; I46-F60 VanDerWaalsContact CG2-CZ 3.48Å; I46-F60 PolarHBondContact N-O 3Å; I46-F60 PolarHBondContact O-N 3.22Å; Y48-F60 HydrophobicContact CD1-CD1 4.31Å; Y48-F60 HydrophobicContact CD1-CE1 4.13Å; Y48-F60 HydrophobicContact CE1-CD1 4.11Å; Y48-F60 HydrophobicContact CE1-CE1 4.21Å; F60-V65 HydrophobicContact CD2-CG2 4.12Å; F60-V65 HydrophobicContact CE2-CG2 3.93Å; F60-L92 HydrophobicContact CE2-CD1 4.08Å; F60-L92 HydrophobicContact CZ-CD1 3.81Å; F60-F94 HydrophobicContact CB-CE1 4.16Å; F60-F94 HydrophobicContact CD1-CZ 4.4Å; F60-F94 AromaticContact CD2-CE1 3.51Å; F60-F94 HydrophobicContact CD2-CE1 3.51Å; F60-F94 AromaticContact CD2-CZ 3.7Å; F60-F94 HydrophobicContact CD2-CZ 3.7Å; F60-F94 HydrophobicContact CE2-CE1 4.01Å; F60-F94 AromaticContact CE2-CZ 3.83Å; F60-F94 HydrophobicContact CE2-CZ 3.83Å; F60-F94 AromaticContact CG-CE1 3.92Å; F60-F94 HydrophobicContact CG-CE1 3.92Å; F60-F94 AromaticContact CG-CZ 3.98Å; F60-F94 HydrophobicContact CG-CZ 3.98Å; F60-F94 HydrophobicContact CZ-CZ 4.25Å; F60-L101 HydrophobicContact CE1-CD2 3.93Å; F60-L101 HydrophobicContact CZ-CD2 4.04Å
61	S	81.6	Confident	76.4	Confident	31 Å²	31	63.8 Å²	63.8	22%	0.217	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	145.9	177.2	-173.7	0	0	0	0	110.2	L44 M63 D64	L44-S61 CarbonylContact O-C 3.44Å; S61-M63 PolarHBondContact O-N 2.56Å; S61-M63 WeakPolarHBondContact OG-CB 3.4Å; S61-M63 WeakPolarHBondContact OG-CG 3.24Å; S61-M63 PolarHBondContact OG-N 3Å; S61-D64 VanDerWaalsContact CB-OD2 3.29Å; S61-D64 WeakPolarHBondContact CB-OD2 3.3Å; S61-D64 PolarHBondContact N-OD2 3.48Å; S61-D64 WeakPolarHBondContact O-CB 3.49Å; S61-D64 PolarHBondContact O-N 3.46Å; S61-D64 VanDerWaalsContact O-N 3.1Å
62	V	83.3	Confident	77.9	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.006	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-62.5	-28.6	167.8	174.1	0	0	0	0	110.5	L39 L44 I46 D64 V65 L121 I122	L39-V62 HydrophobicContact CD1-CG2 4.47Å; L44-V62 WeakPolarHBondContact O-CG2 3.34Å; L44-V62 PolarHBondContact O-N 3.38Å; I46-V62 HydrophobicContact CD1-CG2 4Å; I46-V62 HydrophobicContact CG1-CG2 4.15Å; V62-D64 PolarHBondContact O-N 3.05Å; V62-D64 VanDerWaalsContact O-N 3.16Å; V62-V65 WeakPolarHBondContact O-CB 3.23Å; V62-V65 PolarHBondContact O-N 3.37Å; V62-L121 HydrophobicContact CB-CB 4.44Å; V62-L121 HydrophobicContact CG1-CB 3.69Å; V62-L121 HydrophobicContact CG2-CB 4.17Å; V62-L121 HydrophobicContact CG2-CD1 4.07Å; V62-I122 HydrophobicContact CG1-CG1 3.85Å
63	M	76.6	Confident	79.6	Confident	60 Å²	60	49.6 Å²	49.6	30%	0.296	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-60.5	-23.1	174.2	-53.2	-61.2	-67.8	0	0	112.5	L44 S61 V65 H95 A125	L44-M63 HydrophobicContact CD2-SD 4.49Å; S61-M63 PolarHBondContact O-N 2.56Å; S61-M63 WeakPolarHBondContact OG-CB 3.4Å; S61-M63 WeakPolarHBondContact OG-CG 3.24Å; S61-M63 PolarHBondContact OG-N 3Å; M63-V65 VanDerWaalsContact C-N 3.31Å; M63-H95 PolarHBondContact O-CD2 3.33Å; M63-A125 HydrophobicContact CE-CB 4.06Å; M63-A125 HydrophobicContact SD-CB 3.22Å; M63-A125 WeakPolarHBondContact SD-CB 3.48Å
64	D	80.5	Confident	81.6	Confident	55 Å²	55	46 Å²	46	29%	0.294	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-82.4	-12.1	178.7	-50	-32.6	0	0	0	111.7	S61 V62 F94 H95	S61-D64 VanDerWaalsContact CB-OD2 3.29Å; S61-D64 WeakPolarHBondContact CB-OD2 3.3Å; S61-D64 PolarHBondContact N-OD2 3.48Å; S61-D64 WeakPolarHBondContact O-CB 3.49Å; S61-D64 PolarHBondContact O-N 3.46Å; S61-D64 VanDerWaalsContact O-N 3.1Å; V62-D64 PolarHBondContact O-N 3.05Å; V62-D64 VanDerWaalsContact O-N 3.16Å; D64-F94 HydrophobicContact CB-CD1 3.84Å; D64-F94 HydrophobicContact CB-CE1 4.25Å; D64-F94 CarbonylContact O-C 3.46Å; D64-F94 VanDerWaalsContact O-CA 3.26Å; D64-F94 WeakPolarHBondContact O-CA 3.47Å; D64-F94 WeakPolarHBondContact O-CD1 3.45Å; D64-H95 PolarHBondContact O-N 3.37Å
65	V	85.8	Confident	83.1	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	115.2	-174.1	-171.5	0	0	0	0	110.2	F60 V62 M63 L92 V93 F94 V118 I122	F60-V65 HydrophobicContact CD2-CG2 4.12Å; F60-V65 HydrophobicContact CE2-CG2 3.93Å; V62-V65 WeakPolarHBondContact O-CB 3.23Å; V62-V65 PolarHBondContact O-N 3.37Å; M63-V65 VanDerWaalsContact C-N 3.31Å; V65-L92 HydrophobicContact CG1-CB 4.22Å; V65-V93 CarbonylContact C-O 3.43Å; V65-V93 WeakPolarHBondContact CG1-O 3.35Å; V65-F94 HydrophobicContact CG2-CD1 4.12Å; V65-F94 HydrophobicContact CG2-CE1 3.75Å; V65-F94 HydrophobicContact CG2-CZ 4.3Å; V65-V118 HydrophobicContact CG1-CG1 4.39Å; V65-I122 HydrophobicContact CB-CD1 4.07Å; V65-I122 HydrophobicContact CB-CG1 4.31Å; V65-I122 HydrophobicContact CG1-CD1 3.68Å; V65-I122 HydrophobicContact CG1-CG1 4.45Å
66	E	85.6	Confident	84.5	Confident	66 Å²	66	42.1 Å²	42.1	31%	0.308	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-46.7	177.6	-175.8	-170.9	147.4	0	0	111.7	V93 K327	E66-V93 HydrophobicContact CB-CG1 4.49Å; E66-V93 PolarHBondContact N-O 2.94Å; E66-K327 IonicContact OE1-NZ 2.67Å; E66-K327 PolarHBondContact OE1-NZ 2.81Å
67	A	89.1	Confident	85.5	Confident	33 Å²	33	39.8 Å²	39.8	27%	0.273	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	164.2	-171.2	0	0	0	0	0	113.2	V93	A67-V93 HydrophobicContact CB-CB 4.4Å; A67-V93 PolarHBondContact N-O 2.92Å; A67-V93 PolarHBondContact O-N 3.42Å
68	V	93.4	Very high	85.8	Confident	11 Å²	11	40.8 Å²	40.8	7%	0.067	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	119.1	170.6	-172.7	0	0	0	0	109.6	F90 T91 L92 I115 V118 R119 I122	V68-F90 HydrophobicContact CG1-CB 4.42Å; V68-F90 HydrophobicContact CG1-CD2 4.28Å; V68-T91 WeakPolarHBondContact CA-O 3.44Å; V68-L92 HydrophobicContact CG1-CD2 4.12Å; V68-L92 HydrophobicContact CG2-CD2 3.83Å; V68-I115 HydrophobicContact CG1-CB 4.35Å; V68-I115 HydrophobicContact CG1-CG1 4.08Å; V68-I115 HydrophobicContact CG1-CG2 4.1Å; V68-V118 HydrophobicContact CG2-CB 3.95Å; V68-V118 HydrophobicContact CG2-CG1 3.54Å; V68-R119 HydrophobicContact CB-CG 4.23Å; V68-R119 HydrophobicContact CG2-CG 4.13Å; V68-R119 PolarHBondContact O-NH2 3.46Å; V68-I122 HydrophobicContact CG2-CD1 4.21Å
69	R	93.6	Very high	85.7	Confident	22 Å²	22	41.4 Å²	41.4	8%	0.083	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	133.6	174.2	-64.3	-174	-165.9	161	13.6	109.9	Q73 F90 T91 V93 E320	R69-Q73 HydrophobicContact CB-CB 3.86Å; R69-F90 CarbonylContact O-C 3.54Å; R69-F90 VanDerWaalsContact O-CA 3.27Å; R69-F90 WeakPolarHBondContact O-CA 3.39Å; R69-F90 WeakPolarHBondContact O-CB 3.24Å; R69-T91 PolarHBondContact N-O 2.98Å; R69-T91 PolarHBondContact O-N 3.44Å; R69-V93 HydrophobicContact CG-CG2 3.94Å; R69-E320 IonicContact CZ-OE1 3.12Å; R69-E320 IonicContact CZ-OE2 3.75Å; R69-E320 IonicContact NH1-OE1 2.77Å; R69-E320 IonicContact NH1-OE2 3.03Å; R69-E320 PolarHBondContact NH1-OE2 3.34Å; R69-E320 IonicContact NH2-OE1 3.43Å; R69-E320 PolarHBondContact NH2-OE1 2.9Å; R69-E320 IonicContact NH2-OE2 2.81Å; R69-E320 PolarHBondContact NH2-OE2 2.86Å
70	E	94.6	Very high	86	Confident	60 Å²	60	37.7 Å²	37.7	28%	0.28	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	145.2	-176.9	-65.7	-176.5	-122	0	0	111.4	Q73 Q112 I115 R119	E70-Q73 WeakPolarHBondContact O-CG 3.11Å; E70-Q73 PolarHBondContact O-NE2 3.18Å; E70-Q112 PolarHBondContact OE2-NE2 2.91Å; E70-I115 HydrophobicContact CG-CD1 3.82Å; E70-I115 HydrophobicContact CG-CG1 4.29Å; E70-I115 HydrophobicContact CG-CG2 3.88Å; E70-R119 IonicContact OE1-CZ 3.93Å; E70-R119 IonicContact OE1-NH1 3.44Å; E70-R119 PolarHBondContact OE1-NH1 2.95Å; E70-R119 IonicContact OE1-NH2 3.12Å; E70-R119 PolarHBondContact OE1-NH2 2.81Å
71	G	92.3	Very high	86.2	Confident	8 Å²	8	38.7 Å²	38.7	8%	0.082	21%	0.212	C	C	.	.	S	Bend	trans	67.6	-146.2	177.1	0	0	0	0	0	113.7	Q73 A86 C89	G71-Q73 PolarHBondContact O-N 3.31Å; G71-Q73 VanDerWaalsContact O-N 3.07Å; G71-A86 VanDerWaalsContact CA-O 3.26Å; G71-A86 WeakPolarHBondContact CA-O 3.35Å; G71-C89 WeakPolarHBondContact CA-O 3.4Å; G71-C89 PolarHBondContact N-O 3.26Å
72	H	89.6	Confident	86.6	Confident	42 Å²	42	45.5 Å²	45.5	19%	0.194	24%	0.24	C	C	.	.	S	Bend	trans	-87.5	52.7	-176.5	-47.7	122	0	0	0	112	M77 L78 F84 A86	H72-M77 HydrophobicContact CB-CB 4.33Å; H72-M77 PolarHBondContact CD2-O 3.02Å; H72-M77 VanDerWaalsContact CD2-O 3.24Å; H72-L78 HydrophobicContact CB-CD2 3.72Å; H72-L78 HydrophobicContact CB-CG 4.09Å; H72-L78 VanDerWaalsContact O-CD2 3.26Å; H72-L78 WeakPolarHBondContact O-CD2 3.45Å; H72-L78 VanDerWaalsContact O-CG 3.23Å; H72-L78 WeakPolarHBondContact O-CG 3.28Å; H72-F84 PolarHBondContact CE1-O 3.46Å; H72-F84 VanDerWaalsContact CE1-O 3.29Å; H72-F84 PolarHBondContact NE2-O 3.2Å; H72-A86 VanDerWaalsContact CE1-CA 3.43Å; H72-A86 WeakPolarHBondContact CE1-CA 3.49Å; H72-A86 PolarHBondContact CE1-N 2.93Å; H72-A86 VanDerWaalsContact CE1-N 3.32Å
73	Q	83.4	Confident	87	Confident	116 Å²	116	49.6 Å²	49.6	54%	0.542	26%	0.26	S	S	.	.			trans	-94.5	-1.8	-179.1	-77.2	-178.3	13	0	0	113.8	R69 E70 G71	R69-Q73 HydrophobicContact CB-CB 3.86Å; E70-Q73 WeakPolarHBondContact O-CG 3.11Å; E70-Q73 PolarHBondContact O-NE2 3.18Å; G71-Q73 PolarHBondContact O-N 3.31Å; G71-Q73 VanDerWaalsContact O-N 3.07Å
74	S	83.8	Confident	87.9	Confident	5 Å²	5	48.4 Å²	48.4	4%	0.035	25%	0.253	C	S	.	.	S	Bend	trans	-111.2	154.2	167.4	81.7	0	0	0	0	110.2	V76 M77 L78 T91 D102	S74-V76 VanDerWaalsContact C-N 3.27Å; S74-V76 PolarHBondContact O-N 3.06Å; S74-M77 PolarHBondContact O-N 3.01Å; S74-M77 VanDerWaalsContact O-N 3.09Å; S74-M77 WeakPolarHBondContact OG-CB 3.49Å; S74-M77 VanDerWaalsContact OG-CG 3.25Å; S74-M77 WeakPolarHBondContact OG-CG 3.42Å; S74-M77 PolarHBondContact OG-N 3.45Å; S74-M77 VanDerWaalsContact OG-N 3.09Å; S74-L78 WeakPolarHBondContact O-CG 3.33Å; S74-L78 PolarHBondContact O-N 3.07Å; S74-T91 PolarHBondContact OG-OG1 2.93Å; S74-D102 WeakPolarHBondContact CB-OD1 3.31Å; S74-D102 PolarHBondContact OG-OD1 2.88Å
75	E	79	Confident	88.6	Confident	74 Å²	74	49 Å²	49	35%	0.346	26%	0.259	S	S	.	.	H	α-helix	trans	-57.6	-41.3	176.7	-174.1	-176.1	164.9	0	0	112	M77 L78 S79 S318	E75-M77 VanDerWaalsContact C-N 3.31Å; E75-M77 PolarHBondContact O-N 3.33Å; E75-L78 PolarHBondContact O-N 2.92Å; E75-S79 PolarHBondContact O-N 3.04Å; E75-S318 VanDerWaalsContact OE2-CA 3.29Å; E75-S318 WeakPolarHBondContact OE2-CA 3.23Å; E75-S318 VanDerWaalsContact OE2-CB 3.3Å; E75-S318 WeakPolarHBondContact OE2-CB 3.4Å; E75-S318 PolarHBondContact OE2-OG 3.45Å
76	V	84	Confident	88.9	Confident	35 Å²	35	51 Å²	51	21%	0.212	28%	0.277	C	S	.	.	H	α-helix	trans	-61.5	-42.5	176.2	176.1	0	0	0	0	110.5	V26 S74 S79 D102	V26-V76 HydrophobicContact CB-CG1 4.09Å; V26-V76 HydrophobicContact CG1-CG1 3.5Å; V26-V76 VanDerWaalsContact CG1-CG1 3.5Å; S74-V76 VanDerWaalsContact C-N 3.27Å; S74-V76 PolarHBondContact O-N 3.06Å; V76-S79 PolarHBondContact O-N 3.17Å; V76-S79 PolarHBondContact O-OG 3.24Å; V76-D102 WeakPolarHBondContact CB-OD2 3.36Å; V76-D102 HydrophobicContact CG1-CB 4.14Å
77	M	89.2	Confident	89.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-69.6	-38.9	177.5	-69.6	-55.9	-166.8	0	0	112.8	H72 S74 E75 S79 I80 A81 C89 F90 D102 L103 V104	H72-M77 HydrophobicContact CB-CB 4.33Å; H72-M77 PolarHBondContact CD2-O 3.02Å; H72-M77 VanDerWaalsContact CD2-O 3.24Å; S74-M77 PolarHBondContact O-N 3.01Å; S74-M77 VanDerWaalsContact O-N 3.09Å; S74-M77 WeakPolarHBondContact OG-CB 3.49Å; S74-M77 VanDerWaalsContact OG-CG 3.25Å; S74-M77 WeakPolarHBondContact OG-CG 3.42Å; S74-M77 PolarHBondContact OG-N 3.45Å; S74-M77 VanDerWaalsContact OG-N 3.09Å; E75-M77 VanDerWaalsContact C-N 3.31Å; E75-M77 PolarHBondContact O-N 3.33Å; M77-S79 VanDerWaalsContact C-N 3.27Å; M77-S79 PolarHBondContact O-N 2.83Å; M77-I80 WeakPolarHBondContact O-CG1 3.39Å; M77-I80 PolarHBondContact O-N 3.42Å; M77-I80 HydrophobicContact SD-CD1 3.8Å; M77-I80 HydrophobicContact SD-CG1 4.4Å; M77-A81 PolarHBondContact O-N 2.8Å; M77-C89 HydrophobicContact CE-CB 4.21Å; M77-C89 HydrophobicContact SD-CB 3.98Å; M77-F90 WeakPolarHBondContact CE-O 3.37Å; M77-D102 HydrophobicContact CE-CB 3.5Å; M77-D102 HydrophobicContact CG-CB 4.37Å; M77-D102 HydrophobicContact SD-CB 4.18Å; M77-L103 WeakPolarHBondContact CE-O 3.32Å; M77-V104 HydrophobicContact CE-CG2 4.15Å; M77-V104 HydrophobicContact SD-CG2 4.17Å
78	L	84.8	Confident	89.7	Confident	103 Å²	103	53.1 Å²	53.1	54%	0.539	28%	0.281	S	S	.	.	H	α-helix	trans	-59.4	-40	173	-74.6	165.9	0	0	0	111.4	H72 S74 E75 I80 A81	H72-L78 HydrophobicContact CB-CD2 3.72Å; H72-L78 HydrophobicContact CB-CG 4.09Å; H72-L78 VanDerWaalsContact O-CD2 3.26Å; H72-L78 WeakPolarHBondContact O-CD2 3.45Å; H72-L78 VanDerWaalsContact O-CG 3.23Å; H72-L78 WeakPolarHBondContact O-CG 3.28Å; S74-L78 WeakPolarHBondContact O-CG 3.33Å; S74-L78 PolarHBondContact O-N 3.07Å; E75-L78 PolarHBondContact O-N 2.92Å; L78-I80 PolarHBondContact O-N 3.13Å; L78-I80 VanDerWaalsContact O-N 3.08Å; L78-A81 VanDerWaalsContact O-CB 3.29Å; L78-A81 WeakPolarHBondContact O-CB 3.3Å; L78-A81 PolarHBondContact O-N 3.42Å; L78-A81 VanDerWaalsContact O-N 3.08Å
79	S	82.4	Confident	89.9	Confident	48 Å²	48	52.6 Å²	52.6	34%	0.336	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-16.9	179.8	82.8	0	0	0	0	114.6	E75 V76 M77	E75-S79 PolarHBondContact O-N 3.04Å; V76-S79 PolarHBondContact O-N 3.17Å; V76-S79 PolarHBondContact O-OG 3.24Å; M77-S79 VanDerWaalsContact C-N 3.27Å; M77-S79 PolarHBondContact O-N 2.83Å
80	I	88.6	Confident	90.1	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	12.1	178.4	67.8	171.5	0	0	0	112.6	V26 R29 K32 M77 L78 E82 E83 F84 V104	V26-I80 HydrophobicContact CG1-CD1 4.12Å; V26-I80 HydrophobicContact CG1-CG2 4.48Å; V26-I80 HydrophobicContact CG2-CD1 3.97Å; R29-I80 HydrophobicContact CB-CG2 4.47Å; R29-I80 HydrophobicContact CG-CG2 4.44Å; K32-I80 HydrophobicContact CD-CG2 4.48Å; M77-I80 WeakPolarHBondContact O-CG1 3.39Å; M77-I80 PolarHBondContact O-N 3.42Å; M77-I80 HydrophobicContact SD-CD1 3.8Å; M77-I80 HydrophobicContact SD-CG1 4.4Å; L78-I80 PolarHBondContact O-N 3.13Å; L78-I80 VanDerWaalsContact O-N 3.08Å; I80-E82 PolarHBondContact O-N 2.75Å; I80-E83 WeakPolarHBondContact O-CA 3.29Å; I80-E83 WeakPolarHBondContact O-CB 3.2Å; I80-E83 PolarHBondContact O-N 2.83Å; I80-F84 HydrophobicContact CB-CD2 4.22Å; I80-F84 HydrophobicContact CD1-CD2 3.76Å; I80-F84 HydrophobicContact CD1-CE2 4.34Å; I80-F84 HydrophobicContact CG1-CD2 4.25Å; I80-F84 PolarHBondContact O-N 3Å; I80-V104 HydrophobicContact CD1-CG2 3.93Å
81	A	89.1	Confident	90.1	Very high	40 Å²	40	48.7 Å²	48.7	33%	0.331	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-27.4	-174.6	0	0	0	0	0	113.7	M77 L78 E83	M77-A81 PolarHBondContact O-N 2.8Å; L78-A81 VanDerWaalsContact O-CB 3.29Å; L78-A81 WeakPolarHBondContact O-CB 3.3Å; L78-A81 PolarHBondContact O-N 3.42Å; L78-A81 VanDerWaalsContact O-N 3.08Å; A81-E83 VanDerWaalsContact C-N 3.33Å
82	E	89.2	Confident	90.2	Very high	174 Å²	174	48.4 Å²	48.4	81%	0.813	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-24.2	172.9	-62.8	-179.5	161.7	0	0	113.1	R29 I80	R29-E82 IonicContact NH2-OE2 3.6Å; I80-E82 PolarHBondContact O-N 2.75Å
83	E	93.2	Very high	90.1	Very high	88 Å²	88	46.5 Å²	46.5	41%	0.411	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-32.8	-176.1	-62.2	-175.2	-136.5	0	0	112.8	R29 K32 I80 A81	R29-E83 IonicContact NE-OE1 3.88Å; K32-E83 IonicContact NZ-OE1 2.92Å; K32-E83 PolarHBondContact NZ-OE1 3.41Å; K32-E83 IonicContact NZ-OE2 2.6Å; K32-E83 PolarHBondContact NZ-OE2 3.25Å; I80-E83 WeakPolarHBondContact O-CA 3.29Å; I80-E83 WeakPolarHBondContact O-CB 3.2Å; I80-E83 PolarHBondContact O-N 2.83Å; A81-E83 VanDerWaalsContact C-N 3.33Å
84	F	94.3	Very high	90.2	Very high	34 Å²	34	41.3 Å²	41.3	15%	0.149	23%	0.225	C	C	.	.	S	Bend	trans	-134.1	129.8	-177.1	-59.5	-81.7	0	0	0	111.2	K32 H72 I80 V104	K32-F84 HydrophobicContact CD-CE2 3.94Å; H72-F84 PolarHBondContact CE1-O 3.46Å; H72-F84 VanDerWaalsContact CE1-O 3.29Å; H72-F84 PolarHBondContact NE2-O 3.2Å; I80-F84 HydrophobicContact CB-CD2 4.22Å; I80-F84 HydrophobicContact CD1-CD2 3.76Å; I80-F84 HydrophobicContact CD1-CE2 4.34Å; I80-F84 HydrophobicContact CG1-CD2 4.25Å; I80-F84 PolarHBondContact O-N 3Å; F84-V104 HydrophobicContact CB-CG1 4.18Å; F84-V104 HydrophobicContact CD1-CG1 3.67Å; F84-V104 HydrophobicContact CE1-CG1 4.22Å; F84-V104 HydrophobicContact CG-CG1 3.91Å
85	P	94.9	Very high	90	Very high	67 Å²	67	44.6 Å²	44.6	44%	0.435	24%	0.239	S	C	.	.			trans	-64.9	151.3	175.5	27.5	-34.2	0	0	0	111.5	E87 L88 C89	P85-E87 VanDerWaalsContact C-N 3.26Å; P85-E87 HydrophobicContact CB-CG 4.22Å; P85-E87 HydrophobicContact CG-CG 4.38Å; P85-E87 PolarHBondContact O-N 2.73Å; P85-L88 HydrophobicContact CG-CD1 3.73Å; P85-L88 HydrophobicContact CG-CG 3.92Å; P85-L88 PolarHBondContact O-N 2.91Å; P85-L88 VanDerWaalsContact O-N 3.14Å; P85-C89 PolarHBondContact O-SG 3.44Å; P85-C89 VanDerWaalsContact O-SG 3.38Å
86	A	92.9	Very high	89.7	Confident	45 Å²	45	42.5 Å²	42.5	37%	0.372	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-58.8	-36.5	-173.5	0	0	0	0	0	112.7	G71 H72 L88 C89	G71-A86 VanDerWaalsContact CA-O 3.26Å; G71-A86 WeakPolarHBondContact CA-O 3.35Å; H72-A86 VanDerWaalsContact CE1-CA 3.43Å; H72-A86 WeakPolarHBondContact CE1-CA 3.49Å; H72-A86 PolarHBondContact CE1-N 2.93Å; H72-A86 VanDerWaalsContact CE1-N 3.32Å; A86-L88 PolarHBondContact O-N 3.25Å; A86-L88 VanDerWaalsContact O-N 3.07Å; A86-C89 PolarHBondContact O-N 3.29Å
87	E	95.8	Very high	89.2	Confident	118 Å²	118	42.7 Å²	42.7	55%	0.551	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-61.6	-16.2	-179.9	61.2	-170.2	-160.5	0	0	114.8	P85 P108 A111	P85-E87 VanDerWaalsContact C-N 3.26Å; P85-E87 HydrophobicContact CB-CG 4.22Å; P85-E87 HydrophobicContact CG-CG 4.38Å; P85-E87 PolarHBondContact O-N 2.73Å; E87-P108 HydrophobicContact CB-CB 4.27Å; E87-P108 HydrophobicContact CG-CB 4.2Å; E87-P108 HydrophobicContact CG-CG 3.95Å; E87-A111 VanDerWaalsContact O-CB 3.27Å; E87-A111 WeakPolarHBondContact O-CB 3.49Å
88	L	96.6	Very high	88.5	Confident	24 Å²	24	46.1 Å²	46.1	13%	0.126	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-93.8	-13.7	175.3	-58.8	-177.7	0	0	0	113.5	P85 A86 V104 A105 P108	P85-L88 HydrophobicContact CG-CD1 3.73Å; P85-L88 HydrophobicContact CG-CG 3.92Å; P85-L88 PolarHBondContact O-N 2.91Å; P85-L88 VanDerWaalsContact O-N 3.14Å; A86-L88 PolarHBondContact O-N 3.25Å; A86-L88 VanDerWaalsContact O-N 3.07Å; L88-V104 HydrophobicContact CB-CG1 3.96Å; L88-V104 CarbonylContact O-C 3.54Å; L88-V104 WeakPolarHBondContact O-CA 3.45Å; L88-A105 PolarHBondContact O-N 2.75Å; L88-P108 HydrophobicContact CD2-CB 4.42Å; L88-P108 HydrophobicContact CD2-CG 3.81Å
89	C	96.8	Very high	88.1	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.007	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	139.3	-166.5	-57.7	0	0	0	0	110.7	G71 M77 P85 A86	G71-C89 WeakPolarHBondContact CA-O 3.4Å; G71-C89 PolarHBondContact N-O 3.26Å; M77-C89 HydrophobicContact CE-CB 4.21Å; M77-C89 HydrophobicContact SD-CB 3.98Å; P85-C89 PolarHBondContact O-SG 3.44Å; P85-C89 VanDerWaalsContact O-SG 3.38Å; A86-C89 PolarHBondContact O-N 3.29Å
90	F	96.9	Very high	88.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	157.5	169.7	63.1	-80.4	0	0	0	111.6	L23 V68 R69 M77 L92 L103 A111 W114 I115	L23-F90 HydrophobicContact CD1-CZ 3.9Å; V68-F90 HydrophobicContact CG1-CB 4.42Å; V68-F90 HydrophobicContact CG1-CD2 4.28Å; R69-F90 CarbonylContact O-C 3.54Å; R69-F90 VanDerWaalsContact O-CA 3.27Å; R69-F90 WeakPolarHBondContact O-CA 3.39Å; R69-F90 WeakPolarHBondContact O-CB 3.24Å; M77-F90 WeakPolarHBondContact CE-O 3.37Å; F90-L92 HydrophobicContact CD2-CD2 4.06Å; F90-L92 HydrophobicContact CE2-CD2 4.11Å; F90-L103 HydrophobicContact CD1-CB 4.37Å; F90-L103 HydrophobicContact CD2-CB 4.33Å; F90-L103 HydrophobicContact CD2-CD1 4.48Å; F90-L103 HydrophobicContact CE1-CB 3.93Å; F90-L103 HydrophobicContact CE2-CB 3.9Å; F90-L103 HydrophobicContact CE2-CD1 3.6Å; F90-L103 HydrophobicContact CE2-CG 4.31Å; F90-L103 HydrophobicContact CZ-CB 3.68Å; F90-L103 HydrophobicContact CZ-CD1 3.81Å; F90-L103 HydrophobicContact CZ-CG 4.38Å; F90-L103 PolarHBondContact N-O 2.88Å; F90-L103 PolarHBondContact O-N 2.81Å; F90-L103 VanDerWaalsContact O-O 3.08Å; F90-A111 HydrophobicContact CD1-CB 4.34Å; F90-W114 HydrophobicContact CE1-CB 4.21Å; F90-W114 HydrophobicContact CE2-CB 4.08Å; F90-W114 HydrophobicContact CZ-CB 3.6Å; F90-W114 HydrophobicContact CZ-CG 4.15Å; F90-I115 HydrophobicContact CB-CD1 3.94Å; F90-I115 HydrophobicContact CB-CG1 3.71Å; F90-I115 HydrophobicContact CD1-CD1 4.48Å; F90-I115 HydrophobicContact CD1-CG1 4.27Å; F90-I115 HydrophobicContact CD2-CG1 4.23Å; F90-I115 HydrophobicContact CG-CD1 4.33Å; F90-I115 HydrophobicContact CG-CG1 3.84Å
91	T	95.1	Very high	88.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.4	-177.9	-54.6	0	0	0	0	109.7	V68 R69 S74 V93 N100 L101 D102	V68-T91 WeakPolarHBondContact CA-O 3.44Å; R69-T91 PolarHBondContact N-O 2.98Å; R69-T91 PolarHBondContact O-N 3.44Å; S74-T91 PolarHBondContact OG-OG1 2.93Å; T91-V93 HydrophobicContact CG2-CG2 4.46Å; T91-N100 HydrophobicContact CG2-CB 3.68Å; T91-L101 WeakPolarHBondContact CA-O 3.25Å; T91-D102 WeakPolarHBondContact CB-OD1 3.28Å; T91-D102 WeakPolarHBondContact CG2-OD1 3.48Å; T91-D102 PolarHBondContact OG1-OD1 2.93Å
92	L	94.1	Very high	88.8	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	121.1	167.3	-48.8	-173.7	0	0	0	108.7	F60 V65 V68 F90 F94 N100 L101 L103 V118	F60-L92 HydrophobicContact CE2-CD1 4.08Å; F60-L92 HydrophobicContact CZ-CD1 3.81Å; V65-L92 HydrophobicContact CG1-CB 4.22Å; V68-L92 HydrophobicContact CG1-CD2 4.12Å; V68-L92 HydrophobicContact CG2-CD2 3.83Å; F90-L92 HydrophobicContact CD2-CD2 4.06Å; F90-L92 HydrophobicContact CE2-CD2 4.11Å; L92-F94 HydrophobicContact CB-CE2 4.4Å; L92-N100 WeakPolarHBondContact O-CA 3.35Å; L92-L101 HydrophobicContact CB-CB 4.25Å; L92-L101 HydrophobicContact CD1-CD2 4.18Å; L92-L101 PolarHBondContact N-O 2.8Å; L92-L101 PolarHBondContact O-N 3.34Å; L92-L103 HydrophobicContact CD1-CD1 4.27Å; L92-L103 HydrophobicContact CG-CD1 4.34Å; L92-V118 HydrophobicContact CD2-CG1 4.13Å; L92-V118 HydrophobicContact CD2-CG2 4.4Å
93	V	88.6	Confident	89.1	Confident	3 Å²	3	34 Å²	34	2%	0.018	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	126.3	178.8	-178	0	0	0	0	107.9	V65 E66 A67 R69 T91 N100	V65-V93 CarbonylContact C-O 3.43Å; V65-V93 WeakPolarHBondContact CG1-O 3.35Å; E66-V93 HydrophobicContact CB-CG1 4.49Å; E66-V93 PolarHBondContact N-O 2.94Å; A67-V93 HydrophobicContact CB-CB 4.4Å; A67-V93 PolarHBondContact N-O 2.92Å; A67-V93 PolarHBondContact O-N 3.42Å; R69-V93 HydrophobicContact CG-CG2 3.94Å; T91-V93 HydrophobicContact CG2-CG2 4.46Å; V93-N100 WeakPolarHBondContact CA-OD1 3.34Å
94	F	85.8	Confident	89.3	Confident	7 Å²	7	29.8 Å²	29.8	3%	0.031	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	152.5	-179	-70.2	-89.8	0	0	0	111.7	F60 D64 V65 L92 Q98 G99 L101	F60-F94 HydrophobicContact CB-CE1 4.16Å; F60-F94 HydrophobicContact CD1-CZ 4.4Å; F60-F94 AromaticContact CD2-CE1 3.51Å; F60-F94 HydrophobicContact CD2-CE1 3.51Å; F60-F94 AromaticContact CD2-CZ 3.7Å; F60-F94 HydrophobicContact CD2-CZ 3.7Å; F60-F94 HydrophobicContact CE2-CE1 4.01Å; F60-F94 AromaticContact CE2-CZ 3.83Å; F60-F94 HydrophobicContact CE2-CZ 3.83Å; F60-F94 AromaticContact CG-CE1 3.92Å; F60-F94 HydrophobicContact CG-CE1 3.92Å; F60-F94 AromaticContact CG-CZ 3.98Å; F60-F94 HydrophobicContact CG-CZ 3.98Å; F60-F94 HydrophobicContact CZ-CZ 4.25Å; D64-F94 HydrophobicContact CB-CD1 3.84Å; D64-F94 HydrophobicContact CB-CE1 4.25Å; D64-F94 CarbonylContact O-C 3.46Å; D64-F94 VanDerWaalsContact O-CA 3.26Å; D64-F94 WeakPolarHBondContact O-CA 3.47Å; D64-F94 WeakPolarHBondContact O-CD1 3.45Å; V65-F94 HydrophobicContact CG2-CD1 4.12Å; V65-F94 HydrophobicContact CG2-CE1 3.75Å; V65-F94 HydrophobicContact CG2-CZ 4.3Å; L92-F94 HydrophobicContact CB-CE2 4.4Å; F94-Q98 HydrophobicContact CB-CB 3.7Å; F94-Q98 HydrophobicContact CB-CG 3.78Å; F94-Q98 HydrophobicContact CD1-CG 4.33Å; F94-Q98 HydrophobicContact CD2-CG 4.06Å; F94-Q98 HydrophobicContact CG-CB 4.29Å; F94-Q98 HydrophobicContact CG-CG 3.8Å; F94-Q98 VanDerWaalsContact CG-NE2 3.28Å; F94-G99 WeakPolarHBondContact CD2-O 3.48Å; F94-L101 HydrophobicContact CE2-CB 3.79Å
95	H	79.3	Confident	89.4	Confident	74 Å²	74	28.2 Å²	28.2	34%	0.343	17%	0.169	S	C	.	.	S	Bend	trans	-64.3	157.4	168.6	-71.5	-64.3	0	0	0	111.4	M63 D64 T733	M63-H95 PolarHBondContact O-CD2 3.33Å; D64-H95 PolarHBondContact O-N 3.37Å; H95-T733 HydrophobicContact CB-CG2 4.27Å
96	G	71.9	Confident	89.4	Confident	30 Å²	30	29.3 Å²	29.3	31%	0.309	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	72	-136.2	175.1	0	0	0	0	0	113.1
97	R	73.3	Confident	89.5	Confident	38 Å²	38	29 Å²	29	14%	0.143	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	10.5	-176.4	-60.8	171.3	-178.4	74	3	112.7	F571 D582 D731	R97-F571 PolarHBondContact NE-O 3.09Å; R97-D582 IonicContact CZ-OD2 2.9Å; R97-D582 IonicContact NH1-OD2 3.58Å; R97-D582 PolarHBondContact NH1-OD2 3.34Å; R97-D582 IonicContact NH2-OD1 3.13Å; R97-D582 IonicContact NH2-OD2 3.58Å; R97-D582 PolarHBondContact NH2-OD2 2.69Å; R97-D731 HydrophobicContact CB-CB 4.24Å; R97-D731 VanDerWaalsContact NH1-C 3.33Å; R97-D731 PolarHBondContact NH1-O 3.33Å
98	Q	75.6	Confident	89.5	Confident	73 Å²	73	25.2 Å²	25.2	34%	0.341	15%	0.152	S	C	.	.	P	Polyproline II helix	trans	-70.8	133.5	178.4	179.4	167.7	-35.9	0	0	110.6	F94	F94-Q98 HydrophobicContact CB-CB 3.7Å; F94-Q98 HydrophobicContact CB-CG 3.78Å; F94-Q98 HydrophobicContact CD1-CG 4.33Å; F94-Q98 HydrophobicContact CD2-CG 4.06Å; F94-Q98 HydrophobicContact CG-CB 4.29Å; F94-Q98 HydrophobicContact CG-CG 3.8Å; F94-Q98 VanDerWaalsContact CG-NE2 3.28Å
99	G	76.6	Confident	89.4	Confident	53 Å²	53	30.4 Å²	30.4	55%	0.546	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-66.2	146.9	178.9	0	0	0	0	0	112.9	F94	F94-G99 WeakPolarHBondContact CD2-O 3.48Å
100	N	87.1	Confident	89.4	Confident	38 Å²	38	32 Å²	32	20%	0.203	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-58.9	151.7	177.1	-69.6	-16.9	0	0	0	112.5	T91 L92 V93	T91-N100 HydrophobicContact CG2-CB 3.68Å; L92-N100 WeakPolarHBondContact O-CA 3.35Å; V93-N100 WeakPolarHBondContact CA-OD1 3.34Å
101	L	91.9	Very high	89.3	Confident	9 Å²	9	32 Å²	32	5%	0.047	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	103.3	173.4	178.7	64.2	0	0	0	110.7	K25 F37 F60 T91 L92 F94 L103	K25-L101 HydrophobicContact CD-CD1 3.6Å; K25-L101 HydrophobicContact CG-CD1 3.74Å; F37-L101 HydrophobicContact CE1-CD2 3.95Å; F37-L101 HydrophobicContact CZ-CD2 4.38Å; F60-L101 HydrophobicContact CE1-CD2 3.93Å; F60-L101 HydrophobicContact CZ-CD2 4.04Å; T91-L101 WeakPolarHBondContact CA-O 3.25Å; L92-L101 HydrophobicContact CB-CB 4.25Å; L92-L101 HydrophobicContact CD1-CD2 4.18Å; L92-L101 PolarHBondContact N-O 2.8Å; L92-L101 PolarHBondContact O-N 3.34Å; F94-L101 HydrophobicContact CE2-CB 3.79Å; L101-L103 HydrophobicContact CD1-CD2 4.12Å; L101-L103 HydrophobicContact CD2-CD1 4.14Å; L101-L103 HydrophobicContact CD2-CD2 4.32Å; L101-L103 HydrophobicContact CD2-CG 4.42Å; L101-L103 HydrophobicContact CG-CD1 4.22Å; L101-L103 HydrophobicContact CG-CD2 3.98Å; L101-L103 HydrophobicContact CG-CG 4Å
102	D	94.2	Very high	89.4	Confident	9 Å²	9	35.3 Å²	35.3	5%	0.048	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	122.5	177.8	-64.8	-64.8	0	0	0	111.7	V26 S74 V76 M77 T91	V26-D102 HydrophobicContact CB-CB 4.11Å; V26-D102 PolarHBondContact N-O 2.84Å; S74-D102 WeakPolarHBondContact CB-OD1 3.31Å; S74-D102 PolarHBondContact OG-OD1 2.88Å; V76-D102 WeakPolarHBondContact CB-OD2 3.36Å; V76-D102 HydrophobicContact CG1-CB 4.14Å; M77-D102 HydrophobicContact CE-CB 3.5Å; M77-D102 HydrophobicContact CG-CB 4.37Å; M77-D102 HydrophobicContact SD-CB 4.18Å; T91-D102 WeakPolarHBondContact CB-OD1 3.28Å; T91-D102 WeakPolarHBondContact CG2-OD1 3.48Å; T91-D102 PolarHBondContact OG1-OD1 2.93Å
103	L	96.6	Very high	89.4	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	138.6	-176.2	-59.2	174.3	0	0	0	112.2	L23 R24 K25 F37 M77 F90 L92 L101	L23-L103 HydrophobicContact CB-CD2 4.46Å; L23-L103 HydrophobicContact CD1-CD1 4.02Å; R24-L103 WeakPolarHBondContact O-CA 3.23Å; K25-L103 HydrophobicContact CB-CD2 4.23Å; F37-L103 HydrophobicContact CE1-CD2 4.19Å; F37-L103 HydrophobicContact CE2-CD2 3.6Å; F37-L103 HydrophobicContact CZ-CD2 3.44Å; F37-L103 VanDerWaalsContact CZ-CD2 3.44Å; M77-L103 WeakPolarHBondContact CE-O 3.32Å; F90-L103 HydrophobicContact CD1-CB 4.37Å; F90-L103 HydrophobicContact CD2-CB 4.33Å; F90-L103 HydrophobicContact CD2-CD1 4.48Å; F90-L103 HydrophobicContact CE1-CB 3.93Å; F90-L103 HydrophobicContact CE2-CB 3.9Å; F90-L103 HydrophobicContact CE2-CD1 3.6Å; F90-L103 HydrophobicContact CE2-CG 4.31Å; F90-L103 HydrophobicContact CZ-CB 3.68Å; F90-L103 HydrophobicContact CZ-CD1 3.81Å; F90-L103 HydrophobicContact CZ-CG 4.38Å; F90-L103 PolarHBondContact N-O 2.88Å; F90-L103 PolarHBondContact O-N 2.81Å; F90-L103 VanDerWaalsContact O-O 3.08Å; L92-L103 HydrophobicContact CD1-CD1 4.27Å; L92-L103 HydrophobicContact CG-CD1 4.34Å; L101-L103 HydrophobicContact CD1-CD2 4.12Å; L101-L103 HydrophobicContact CD2-CD1 4.14Å; L101-L103 HydrophobicContact CD2-CD2 4.32Å; L101-L103 HydrophobicContact CD2-CG 4.42Å; L101-L103 HydrophobicContact CG-CD1 4.22Å; L101-L103 HydrophobicContact CG-CD2 3.98Å; L101-L103 HydrophobicContact CG-CG 4Å
104	V	97.1	Very high	89.7	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	124.2	171.4	-176.9	0	0	0	0	108.7	R24 V26 M77 I80 F84 L88	R24-V104 HydrophobicContact CB-CB 4.23Å; R24-V104 PolarHBondContact N-O 2.83Å; R24-V104 PolarHBondContact O-N 3.4Å; V26-V104 HydrophobicContact CG2-CG2 3.79Å; M77-V104 HydrophobicContact CE-CG2 4.15Å; M77-V104 HydrophobicContact SD-CG2 4.17Å; I80-V104 HydrophobicContact CD1-CG2 3.93Å; F84-V104 HydrophobicContact CB-CG1 4.18Å; F84-V104 HydrophobicContact CD1-CG1 3.67Å; F84-V104 HydrophobicContact CE1-CG1 4.22Å; F84-V104 HydrophobicContact CG-CG1 3.91Å; L88-V104 HydrophobicContact CB-CG1 3.96Å; L88-V104 CarbonylContact O-C 3.54Å; L88-V104 WeakPolarHBondContact O-CA 3.45Å
105	A	96.6	Very high	90.2	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.008	20%	0.198	C	C	.	.			trans	-83.2	166.1	175.5	0	0	0	0	0	111.8	L23 L88 E110 A111	L23-A105 HydrophobicContact CD2-CB 3.87Å; L88-A105 PolarHBondContact O-N 2.75Å; A105-E110 HydrophobicContact CB-CB 4.13Å; A105-E110 HydrophobicContact CB-CG 4.15Å; A105-A111 HydrophobicContact CB-CB 3.74Å
106	D	94.1	Very high	91	Very high	90 Å²	90	34.7 Å²	34.7	48%	0.481	20%	0.196	S	C	.	.	S	Bend	trans	-86.3	-16.8	177.1	-74.5	-24.4	0	0	0	112.3	R24 E110	R24-D106 IonicContact NH1-OD1 3.78Å; D106-E110 PolarHBondContact N-OE2 2.64Å; D106-E110 VanDerWaalsContact N-OE2 3.14Å
107	S	96	Very high	92	Very high	39 Å²	39	33.3 Å²	33.3	27%	0.273	18%	0.182	S	C	.	.	S	Bend	trans	-142.3	157.4	171.9	95.1	0	0	0	0	113.3	E109 E110 A111	S107-E109 VanDerWaalsContact C-N 3.28Å; S107-E109 VanDerWaalsContact CB-OE2 3.29Å; S107-E109 WeakPolarHBondContact CB-OE2 3.2Å; S107-E109 PolarHBondContact O-N 3.33Å; S107-E109 PolarHBondContact OG-N 2.76Å; S107-E109 PolarHBondContact OG-OE2 3.09Å; S107-E110 PolarHBondContact O-N 3.15Å; S107-E110 PolarHBondContact OG-N 2.88Å; S107-A111 PolarHBondContact O-N 2.8Å
108	P	95.6	Very high	92.9	Very high	39 Å²	39	31.5 Å²	31.5	25%	0.253	18%	0.175	S	C	.	.	H	α-helix	trans	-62.6	-34.4	178.4	-23	34.8	0	0	0	112.8	E87 L88 A111 Q112	E87-P108 HydrophobicContact CB-CB 4.27Å; E87-P108 HydrophobicContact CG-CB 4.2Å; E87-P108 HydrophobicContact CG-CG 3.95Å; L88-P108 HydrophobicContact CD2-CB 4.42Å; L88-P108 HydrophobicContact CD2-CG 3.81Å; P108-A111 PolarHBondContact O-N 3.16Å; P108-Q112 WeakPolarHBondContact O-CB 3.42Å; P108-Q112 WeakPolarHBondContact O-CG 3.15Å; P108-Q112 PolarHBondContact O-N 2.87Å
109	E	95.1	Very high	93.7	Very high	133 Å²	133	32 Å²	32	62%	0.621	17%	0.174	S	C	*	.	H	α-helix	trans	-66.1	-40.1	176.9	-56.6	74.1	-159.2	0	0	111.1	S107 A113	S107-E109 VanDerWaalsContact C-N 3.28Å; S107-E109 VanDerWaalsContact CB-OE2 3.29Å; S107-E109 WeakPolarHBondContact CB-OE2 3.2Å; S107-E109 PolarHBondContact O-N 3.33Å; S107-E109 PolarHBondContact OG-N 2.76Å; S107-E109 PolarHBondContact OG-OE2 3.09Å; E109-A113 WeakPolarHBondContact O-CB 3.38Å; E109-A113 PolarHBondContact O-N 2.93Å
110	E	94.9	Very high	94.2	Very high	34 Å²	34	33.8 Å²	33.8	16%	0.159	17%	0.166	C	C	.	.	H	α-helix	trans	-67.5	-43.8	176	-175.6	178	-133.3	0	0	111.2	S21 L23 A105 D106 S107 Q112 A113 W114	S21-E110 WeakPolarHBondContact CB-OE1 3.39Å; S21-E110 PolarHBondContact OG-OE1 2.92Å; L23-E110 HydrophobicContact CD2-CG 4.33Å; A105-E110 HydrophobicContact CB-CB 4.13Å; A105-E110 HydrophobicContact CB-CG 4.15Å; D106-E110 PolarHBondContact N-OE2 2.64Å; D106-E110 VanDerWaalsContact N-OE2 3.14Å; S107-E110 PolarHBondContact O-N 3.15Å; S107-E110 PolarHBondContact OG-N 2.88Å; E110-Q112 PolarHBondContact O-N 2.84Å; E110-A113 PolarHBondContact O-N 3.36Å; E110-W114 PolarHBondContact O-N 3.02Å
111	A	95.9	Very high	94.2	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-57.2	-50.6	174.5	0	0	0	0	0	110.9	E87 F90 A105 S107 P108 A113 W114 I115	E87-A111 VanDerWaalsContact O-CB 3.27Å; E87-A111 WeakPolarHBondContact O-CB 3.49Å; F90-A111 HydrophobicContact CD1-CB 4.34Å; A105-A111 HydrophobicContact CB-CB 3.74Å; S107-A111 PolarHBondContact O-N 2.8Å; P108-A111 PolarHBondContact O-N 3.16Å; A111-A113 VanDerWaalsContact C-N 3.35Å; A111-A113 PolarHBondContact O-N 3.25Å; A111-W114 PolarHBondContact O-N 2.59Å; A111-I115 HydrophobicContact CB-CD1 4.49Å; A111-I115 WeakPolarHBondContact O-CD1 3.46Å; A111-I115 VanDerWaalsContact O-CG1 3.22Å; A111-I115 WeakPolarHBondContact O-CG1 3.34Å; A111-I115 PolarHBondContact O-N 2.63Å
112	Q	96.2	Very high	93.9	Very high	70 Å²	70	32.2 Å²	32.2	33%	0.327	16%	0.158	S	C	.	.	H	α-helix	trans	-62.9	-39.5	179	-78.2	-61	-30.6	0	0	112.5	E70 P108 E110 W114 I115 Q116	E70-Q112 PolarHBondContact OE2-NE2 2.91Å; P108-Q112 WeakPolarHBondContact O-CB 3.42Å; P108-Q112 WeakPolarHBondContact O-CG 3.15Å; P108-Q112 PolarHBondContact O-N 2.87Å; E110-Q112 PolarHBondContact O-N 2.84Å; Q112-W114 PolarHBondContact O-N 2.98Å; Q112-I115 PolarHBondContact O-N 3.35Å; Q112-Q116 WeakPolarHBondContact O-CB 3.44Å; Q112-Q116 VanDerWaalsContact O-CG 3.24Å; Q112-Q116 WeakPolarHBondContact O-CG 3.41Å; Q112-Q116 PolarHBondContact O-N 3.11Å
113	A	94.8	Very high	93.4	Very high	5 Å²	5	37.3 Å²	37.3	4%	0.041	18%	0.181	C	C	.	.	H	α-helix	trans	-59.4	-46	174.8	0	0	0	0	0	111.6	H13 L16 E109 E110 A111 G117	H13-A113 HydrophobicContact CB-CB 4.45Å; H13-A113 WeakPolarHBondContact CB-O 3.48Å; L16-A113 HydrophobicContact CD1-CB 3.94Å; L16-A113 HydrophobicContact CD2-CB 4.18Å; E109-A113 WeakPolarHBondContact O-CB 3.38Å; E109-A113 PolarHBondContact O-N 2.93Å; E110-A113 PolarHBondContact O-N 3.36Å; A111-A113 VanDerWaalsContact C-N 3.35Å; A111-A113 PolarHBondContact O-N 3.25Å; A113-G117 PolarHBondContact O-N 3.47Å
114	W	96.1	Very high	92.6	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	19%	0.189	C	C	.	.	H	α-helix	trans	-65.6	-42.6	176.7	-85.5	86.8	0	0	0	113	M17 S21 L23 F37 I46 F90 E110 A111 Q112 V118	M17-W114 HydrophobicContact CB-CH2 4.23Å; M17-W114 HydrophobicContact CB-CZ2 4.29Å; M17-W114 HydrophobicContact CB-CZ3 4.49Å; M17-W114 HydrophobicContact CE-CE3 3.85Å; M17-W114 HydrophobicContact CE-CH2 4.42Å; M17-W114 HydrophobicContact CE-CZ3 3.69Å; M17-W114 HydrophobicContact CG-CD2 3.85Å; M17-W114 HydrophobicContact CG-CE3 3.9Å; M17-W114 HydrophobicContact CG-CG 4.42Å; M17-W114 HydrophobicContact CG-CH2 4.16Å; M17-W114 HydrophobicContact CG-CZ2 4.12Å; M17-W114 HydrophobicContact CG-CZ3 4.07Å; M17-W114 HydrophobicContact SD-CE3 4.21Å; M17-W114 HydrophobicContact SD-CZ3 4.5Å; S21-W114 PolarHBondContact OG-NE1 2.71Å; L23-W114 HydrophobicContact CD1-CD2 3.93Å; L23-W114 HydrophobicContact CD1-CE3 4.37Å; L23-W114 HydrophobicContact CD1-CG 4.19Å; L23-W114 HydrophobicContact CD1-CZ2 4.42Å; F37-W114 HydrophobicContact CB-CH2 3.59Å; F37-W114 HydrophobicContact CB-CZ2 3.9Å; F37-W114 HydrophobicContact CB-CZ3 4.28Å; I46-W114 HydrophobicContact CD1-CZ3 4.46Å; I46-W114 HydrophobicContact CG2-CZ3 4.44Å; F90-W114 HydrophobicContact CE1-CB 4.21Å; F90-W114 HydrophobicContact CE2-CB 4.08Å; F90-W114 HydrophobicContact CZ-CB 3.6Å; F90-W114 HydrophobicContact CZ-CG 4.15Å; E110-W114 PolarHBondContact O-N 3.02Å; A111-W114 PolarHBondContact O-N 2.59Å; Q112-W114 PolarHBondContact O-N 2.98Å; W114-V118 HydrophobicContact CE3-CG2 4.26Å; W114-V118 WeakPolarHBondContact O-CB 3.15Å; W114-V118 VanDerWaalsContact O-CG2 3.29Å; W114-V118 WeakPolarHBondContact O-CG2 3.11Å; W114-V118 PolarHBondContact O-N 3.35Å
115	I	95.6	Very high	91.4	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-59.7	-52.2	178.3	-69	156.2	0	0	0	110.5	V68 E70 F90 A111 Q112 R119	V68-I115 HydrophobicContact CG1-CB 4.35Å; V68-I115 HydrophobicContact CG1-CG1 4.08Å; V68-I115 HydrophobicContact CG1-CG2 4.1Å; E70-I115 HydrophobicContact CG-CD1 3.82Å; E70-I115 HydrophobicContact CG-CG1 4.29Å; E70-I115 HydrophobicContact CG-CG2 3.88Å; F90-I115 HydrophobicContact CB-CD1 3.94Å; F90-I115 HydrophobicContact CB-CG1 3.71Å; F90-I115 HydrophobicContact CD1-CD1 4.48Å; F90-I115 HydrophobicContact CD1-CG1 4.27Å; F90-I115 HydrophobicContact CD2-CG1 4.23Å; F90-I115 HydrophobicContact CG-CD1 4.33Å; F90-I115 HydrophobicContact CG-CG1 3.84Å; A111-I115 HydrophobicContact CB-CD1 4.49Å; A111-I115 WeakPolarHBondContact O-CD1 3.46Å; A111-I115 VanDerWaalsContact O-CG1 3.22Å; A111-I115 WeakPolarHBondContact O-CG1 3.34Å; A111-I115 PolarHBondContact O-N 2.63Å; Q112-I115 PolarHBondContact O-N 3.35Å; I115-R119 WeakPolarHBondContact O-CB 3.49Å; I115-R119 VanDerWaalsContact O-CG 3.32Å; I115-R119 WeakPolarHBondContact O-CG 3.38Å; I115-R119 PolarHBondContact O-N 3.07Å
116	Q	94.9	Very high	90.1	Very high	64 Å²	64	45 Å²	45	30%	0.299	22%	0.217	S	C	.	.	H	α-helix	trans	-69.3	-39.9	-177.4	-62.5	-59.4	-28.7	0	0	111.5	Q112 R119 K120	Q112-Q116 WeakPolarHBondContact O-CB 3.44Å; Q112-Q116 VanDerWaalsContact O-CG 3.24Å; Q112-Q116 WeakPolarHBondContact O-CG 3.41Å; Q112-Q116 PolarHBondContact O-N 3.11Å; Q116-R119 PolarHBondContact O-N 3.43Å; Q116-K120 WeakPolarHBondContact O-CG 3.48Å; Q116-K120 PolarHBondContact O-N 2.96Å
117	G	93	Very high	89	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.1	-51.1	176.7	0	0	0	0	0	112	M17 A113 R119 K120 L121	M17-G117 VanDerWaalsContact SD-CA 3.57Å; A113-G117 PolarHBondContact O-N 3.47Å; G117-R119 PolarHBondContact O-N 3.21Å; G117-K120 PolarHBondContact O-N 2.96Å; G117-L121 VanDerWaalsContact O-CG 3.32Å; G117-L121 WeakPolarHBondContact O-CG 3.29Å; G117-L121 PolarHBondContact O-N 3.44Å
118	V	92.1	Very high	87.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.5	-43.2	177.8	175.5	0	0	0	0	111.5	M17 I46 V65 V68 L92 W114 K120 L121 I122	M17-V118 HydrophobicContact CE-CG2 3.57Å; M17-V118 HydrophobicContact SD-CG2 4.23Å; I46-V118 HydrophobicContact CD1-CG2 4.17Å; V65-V118 HydrophobicContact CG1-CG1 4.39Å; V68-V118 HydrophobicContact CG2-CB 3.95Å; V68-V118 HydrophobicContact CG2-CG1 3.54Å; L92-V118 HydrophobicContact CD2-CG1 4.13Å; L92-V118 HydrophobicContact CD2-CG2 4.4Å; W114-V118 HydrophobicContact CE3-CG2 4.26Å; W114-V118 WeakPolarHBondContact O-CB 3.15Å; W114-V118 VanDerWaalsContact O-CG2 3.29Å; W114-V118 WeakPolarHBondContact O-CG2 3.11Å; W114-V118 PolarHBondContact O-N 3.35Å; V118-K120 VanDerWaalsContact C-N 3.31Å; V118-K120 PolarHBondContact O-N 3.46Å; V118-L121 PolarHBondContact O-N 2.84Å; V118-L121 VanDerWaalsContact O-N 3.15Å; V118-I122 HydrophobicContact CG1-CD1 3.8Å; V118-I122 HydrophobicContact CG1-CG1 4.21Å; V118-I122 WeakPolarHBondContact O-CG1 3.47Å; V118-I122 PolarHBondContact O-N 3.42Å
119	R	92.4	Very high	86.2	Confident	85 Å²	85	46 Å²	46	32%	0.321	22%	0.22	S	C	.	.	H	α-helix	trans	-58.3	-41.4	176.1	-78.8	177.5	177.1	156.2	2	112.9	V68 E70 I115 Q116 G117 I122 H123	V68-R119 HydrophobicContact CB-CG 4.23Å; V68-R119 HydrophobicContact CG2-CG 4.13Å; V68-R119 PolarHBondContact O-NH2 3.46Å; E70-R119 IonicContact OE1-CZ 3.93Å; E70-R119 IonicContact OE1-NH1 3.44Å; E70-R119 PolarHBondContact OE1-NH1 2.95Å; E70-R119 IonicContact OE1-NH2 3.12Å; E70-R119 PolarHBondContact OE1-NH2 2.81Å; I115-R119 WeakPolarHBondContact O-CB 3.49Å; I115-R119 VanDerWaalsContact O-CG 3.32Å; I115-R119 WeakPolarHBondContact O-CG 3.38Å; I115-R119 PolarHBondContact O-N 3.07Å; Q116-R119 PolarHBondContact O-N 3.43Å; G117-R119 PolarHBondContact O-N 3.21Å; R119-I122 PolarHBondContact O-N 2.87Å; R119-H123 WeakPolarHBondContact O-CB 3.39Å; R119-H123 PolarHBondContact O-N 3.45Å
120	K	88.8	Confident	84.5	Confident	89 Å²	89	43.5 Å²	43.5	39%	0.387	21%	0.208	S	C	.	.	H	α-helix	trans	-64.6	-41.6	175.6	-76.6	-175.7	179.2	-163	0	111.9	D11 Q116 G117 V118 H123 K124	D11-K120 IonicContact OD2-NZ 3.86Å; D11-K120 PolarHBondContact OD2-NZ 3.01Å; Q116-K120 WeakPolarHBondContact O-CG 3.48Å; Q116-K120 PolarHBondContact O-N 2.96Å; G117-K120 PolarHBondContact O-N 2.96Å; V118-K120 VanDerWaalsContact C-N 3.31Å; V118-K120 PolarHBondContact O-N 3.46Å; K120-H123 PolarHBondContact O-N 3.2Å; K120-K124 WeakPolarHBondContact O-CB 3.36Å; K120-K124 PolarHBondContact O-N 3.22Å
121	L	86.7	Confident	83	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-66.9	-39.2	177.7	-62.7	173.6	0	0	0	111.7	V8 V14 M17 L39 G43 V62 G117 V118 K124 A125	V8-L121 HydrophobicContact CG1-CD2 3.9Å; V14-L121 HydrophobicContact CG2-CD2 4.3Å; M17-L121 HydrophobicContact CE-CD1 3.73Å; M17-L121 HydrophobicContact SD-CD1 4.45Å; L39-L121 HydrophobicContact CD1-CD1 3.7Å; L39-L121 HydrophobicContact CD2-CD1 3.61Å; L39-L121 HydrophobicContact CD2-CD2 4.39Å; L39-L121 HydrophobicContact CG-CD1 4.3Å; G43-L121 WeakPolarHBondContact O-CD2 3.41Å; V62-L121 HydrophobicContact CB-CB 4.44Å; V62-L121 HydrophobicContact CG1-CB 3.69Å; V62-L121 HydrophobicContact CG2-CB 4.17Å; V62-L121 HydrophobicContact CG2-CD1 4.07Å; G117-L121 VanDerWaalsContact O-CG 3.32Å; G117-L121 WeakPolarHBondContact O-CG 3.29Å; G117-L121 PolarHBondContact O-N 3.44Å; V118-L121 PolarHBondContact O-N 2.84Å; V118-L121 VanDerWaalsContact O-N 3.15Å; L121-K124 PolarHBondContact O-N 3.01Å; L121-A125 VanDerWaalsContact O-CB 3.23Å; L121-A125 WeakPolarHBondContact O-CB 3.44Å; L121-A125 PolarHBondContact O-N 2.85Å
122	I	84.8	Confident	81.6	Confident	12 Å²	12	48.8 Å²	48.8	6%	0.062	23%	0.233	C	C	.	.	H	α-helix	trans	-61	-47.4	172.1	-67.2	168.1	0	0	0	110.3	V62 V65 V68 V118 R119 A125 Q126	V62-I122 HydrophobicContact CG1-CG1 3.85Å; V65-I122 HydrophobicContact CB-CD1 4.07Å; V65-I122 HydrophobicContact CB-CG1 4.31Å; V65-I122 HydrophobicContact CG1-CD1 3.68Å; V65-I122 HydrophobicContact CG1-CG1 4.45Å; V68-I122 HydrophobicContact CG2-CD1 4.21Å; V118-I122 HydrophobicContact CG1-CD1 3.8Å; V118-I122 HydrophobicContact CG1-CG1 4.21Å; V118-I122 WeakPolarHBondContact O-CG1 3.47Å; V118-I122 PolarHBondContact O-N 3.42Å; R119-I122 PolarHBondContact O-N 2.87Å; I122-A125 WeakPolarHBondContact O-CB 3.25Å; I122-A125 PolarHBondContact O-N 3.49Å; I122-Q126 HydrophobicContact CG2-CG 4.44Å; I122-Q126 WeakPolarHBondContact O-CB 3.4Å; I122-Q126 VanDerWaalsContact O-CG 3.29Å; I122-Q126 WeakPolarHBondContact O-CG 3.3Å; I122-Q126 PolarHBondContact O-N 3.02Å
123	H	83.5	Confident	80.1	Confident	117 Å²	117	49.5 Å²	49.5	54%	0.542	23%	0.232	S	C	.	.	H	α-helix	trans	-61.3	-47.5	178.6	-174.9	63.9	0	0	0	111.4	R119 K120 A125 Q126 T127	R119-H123 WeakPolarHBondContact O-CB 3.39Å; R119-H123 PolarHBondContact O-N 3.45Å; K120-H123 PolarHBondContact O-N 3.2Å; H123-A125 VanDerWaalsContact C-N 3.33Å; H123-A125 PolarHBondContact O-N 2.9Å; H123-Q126 PolarHBondContact O-N 2.95Å; H123-Q126 VanDerWaalsContact O-N 3.07Å; H123-T127 VanDerWaalsContact CE1-CG2 3.44Å; H123-T127 WeakPolarHBondContact CE1-CG2 3.11Å; H123-T127 WeakPolarHBondContact O-CG2 3.22Å; H123-T127 PolarHBondContact O-N 2.9Å; H123-T127 PolarHBondContact O-OG1 3.02Å; H123-T127 VanDerWaalsContact O-OG1 3.09Å
124	K	80.1	Confident	78.7	Confident	39 Å²	39	53.4 Å²	53.4	17%	0.17	25%	0.25	C	C	.	.	H	α-helix	trans	-54.4	-51	174.3	-175.2	-170.4	177.5	-176.6	0	110.6	V8 K120 L121 Q126 T127 M128	V8-K124 HydrophobicContact CB-CD 4.14Å; V8-K124 HydrophobicContact CG1-CD 4.13Å; V8-K124 HydrophobicContact CG2-CD 3.97Å; V8-K124 HydrophobicContact CG2-CG 4.44Å; K120-K124 WeakPolarHBondContact O-CB 3.36Å; K120-K124 PolarHBondContact O-N 3.22Å; L121-K124 PolarHBondContact O-N 3.01Å; K124-Q126 PolarHBondContact O-N 3.23Å; K124-T127 PolarHBondContact O-N 2.82Å; K124-T127 PolarHBondContact O-OG1 3.47Å; K124-M128 HydrophobicContact CD-SD 4.45Å; K124-M128 HydrophobicContact CG-CG 4.15Å; K124-M128 HydrophobicContact CG-SD 4.05Å; K124-M128 WeakPolarHBondContact O-CG 3.28Å; K124-M128 PolarHBondContact O-N 2.98Å
125	A	72.3	Confident	77.3	Confident	4 Å²	4	56.6 Å²	56.6	3%	0.033	27%	0.267	C	S	.	.	H	α-helix	trans	-55.7	-34	177.6	0	0	0	0	0	114	M63 L121 I122 H123 R133	M63-A125 HydrophobicContact CE-CB 4.06Å; M63-A125 HydrophobicContact SD-CB 3.22Å; M63-A125 WeakPolarHBondContact SD-CB 3.48Å; L121-A125 VanDerWaalsContact O-CB 3.23Å; L121-A125 WeakPolarHBondContact O-CB 3.44Å; L121-A125 PolarHBondContact O-N 2.85Å; I122-A125 WeakPolarHBondContact O-CB 3.25Å; I122-A125 PolarHBondContact O-N 3.49Å; H123-A125 VanDerWaalsContact C-N 3.33Å; H123-A125 PolarHBondContact O-N 2.9Å; A125-R133 PolarHBondContact O-NH2 3.47Å
126	Q	69.8	Low	76	Confident	120 Å²	120	57.9 Å²	57.9	56%	0.561	27%	0.273	S	S	*	.	H	α-helix	trans	-83	-29.6	179.5	-72.5	173.1	-10.7	0	0	113.5	I122 H123 K124	I122-Q126 HydrophobicContact CG2-CG 4.44Å; I122-Q126 WeakPolarHBondContact O-CB 3.4Å; I122-Q126 VanDerWaalsContact O-CG 3.29Å; I122-Q126 WeakPolarHBondContact O-CG 3.3Å; I122-Q126 PolarHBondContact O-N 3.02Å; H123-Q126 PolarHBondContact O-N 2.95Å; H123-Q126 VanDerWaalsContact O-N 3.07Å; K124-Q126 PolarHBondContact O-N 3.23Å
127	T	71.1	Confident	74.8	Confident	85 Å²	85	59 Å²	59	52%	0.521	28%	0.275	S	S	.	.	H	α-helix	trans	-96.3	-13.9	-177.8	59.8	0	0	0	0	114.1	H123 K124 D129	H123-T127 VanDerWaalsContact CE1-CG2 3.44Å; H123-T127 WeakPolarHBondContact CE1-CG2 3.11Å; H123-T127 WeakPolarHBondContact O-CG2 3.22Å; H123-T127 PolarHBondContact O-N 2.9Å; H123-T127 PolarHBondContact O-OG1 3.02Å; H123-T127 VanDerWaalsContact O-OG1 3.09Å; K124-T127 PolarHBondContact O-N 2.82Å; K124-T127 PolarHBondContact O-OG1 3.47Å; T127-D129 PolarHBondContact O-N 3.26Å
128	M	68.3	Low	73.8	Confident	19 Å²	19	59.4 Å²	59.4	9%	0.094	28%	0.277	C	S	.	.			trans	-58.5	127.6	173.9	-78.6	166.9	74.3	0	0	109.8	K124 E132 R133 Q136	K124-M128 HydrophobicContact CD-SD 4.45Å; K124-M128 HydrophobicContact CG-CG 4.15Å; K124-M128 HydrophobicContact CG-SD 4.05Å; K124-M128 WeakPolarHBondContact O-CG 3.28Å; K124-M128 PolarHBondContact O-N 2.98Å; M128-E132 WeakPolarHBondContact CA-OE2 3.15Å; M128-E132 HydrophobicContact CB-CB 4.38Å; M128-E132 HydrophobicContact CE-CB 4.38Å; M128-E132 WeakPolarHBondContact CE-O 3.38Å; M128-E132 HydrophobicContact CG-CB 4.49Å; M128-R133 HydrophobicContact CB-CG 3.9Å; M128-R133 HydrophobicContact CE-CG 4Å; M128-Q136 HydrophobicContact CE-CB 3.75Å; M128-Q136 HydrophobicContact CE-CG 4.12Å
129	D	63.3	Low	72.8	Confident	85 Å²	85	66 Å²	66	46%	0.455	30%	0.302	S	S	.	.			trans	-70.6	169.6	170	69.9	42.1	0	0	0	111	T127 Q131 E132 R133	T127-D129 PolarHBondContact O-N 3.26Å; D129-Q131 VanDerWaalsContact C-N 3.25Å; D129-Q131 PolarHBondContact O-N 3.41Å; D129-Q131 WeakPolarHBondContact OD1-CA 3.4Å; D129-Q131 WeakPolarHBondContact OD1-CB 3.29Å; D129-Q131 PolarHBondContact OD1-N 3.32Å; D129-E132 PolarHBondContact O-N 2.99Å; D129-E132 WeakPolarHBondContact OD1-CB 3.35Å; D129-E132 WeakPolarHBondContact OD1-CG 2.99Å; D129-E132 PolarHBondContact OD1-N 3.26Å; D129-R133 WeakPolarHBondContact O-CB 3.47Å; D129-R133 WeakPolarHBondContact O-CG 3.18Å; D129-R133 PolarHBondContact O-N 3.42Å
130	E	60.1	Low	71.8	Confident	80 Å²	80	62.1 Å²	62.1	37%	0.374	29%	0.288	S	S	.	.	H	α-helix	trans	-65.3	-31.8	-175.5	-166.3	60.5	-156.5	0	0	112	R133 Q134	E130-R133 PolarHBondContact O-N 2.98Å; E130-Q134 WeakPolarHBondContact O-CG 3.49Å; E130-Q134 PolarHBondContact O-N 2.94Å
131	Q	62.9	Low	71.1	Confident	60 Å²	60	59.5 Å²	59.5	28%	0.28	28%	0.275	S	S	.	.	H	α-helix	trans	-70.4	-46.6	178	-171.3	64.3	28.2	0	0	110.9	D129 R133 Q134 D135	D129-Q131 VanDerWaalsContact C-N 3.25Å; D129-Q131 PolarHBondContact O-N 3.41Å; D129-Q131 WeakPolarHBondContact OD1-CA 3.4Å; D129-Q131 WeakPolarHBondContact OD1-CB 3.29Å; D129-Q131 PolarHBondContact OD1-N 3.32Å; Q131-R133 VanDerWaalsContact C-N 3.26Å; Q131-R133 PolarHBondContact O-N 2.83Å; Q131-Q134 PolarHBondContact O-N 2.7Å; Q131-D135 WeakPolarHBondContact O-CB 3.43Å; Q131-D135 PolarHBondContact O-N 3.5Å
132	E	66.1	Low	70.6	Confident	86 Å²	86	60.1 Å²	60.1	40%	0.402	28%	0.278	S	S	.	.	H	α-helix	trans	-60.9	-36.9	174.9	-73	-174	152.6	0	0	111.7	M128 D129 Q136	M128-E132 WeakPolarHBondContact CA-OE2 3.15Å; M128-E132 HydrophobicContact CB-CB 4.38Å; M128-E132 HydrophobicContact CE-CB 4.38Å; M128-E132 WeakPolarHBondContact CE-O 3.38Å; M128-E132 HydrophobicContact CG-CB 4.49Å; D129-E132 PolarHBondContact O-N 2.99Å; D129-E132 WeakPolarHBondContact OD1-CB 3.35Å; D129-E132 WeakPolarHBondContact OD1-CG 2.99Å; D129-E132 PolarHBondContact OD1-N 3.26Å; E132-Q136 WeakPolarHBondContact O-CB 3.35Å; E132-Q136 PolarHBondContact O-N 2.85Å
133	R	65.9	Low	70	Confident	84 Å²	84	63.5 Å²	63.5	32%	0.317	29%	0.294	S	S	.	.	H	α-helix	trans	-63.3	-48.5	173	-80.8	177.1	165.3	-178.8	0.5	111.7	A125 M128 D129 E130 Q131 W137	A125-R133 PolarHBondContact O-NH2 3.47Å; M128-R133 HydrophobicContact CB-CG 3.9Å; M128-R133 HydrophobicContact CE-CG 4Å; D129-R133 WeakPolarHBondContact O-CB 3.47Å; D129-R133 WeakPolarHBondContact O-CG 3.18Å; D129-R133 PolarHBondContact O-N 3.42Å; E130-R133 PolarHBondContact O-N 2.98Å; Q131-R133 VanDerWaalsContact C-N 3.26Å; Q131-R133 PolarHBondContact O-N 2.83Å; R133-W137 WeakPolarHBondContact O-CB 3.32Å; R133-W137 PolarHBondContact O-N 3.34Å
134	Q	64.3	Low	69.5	Low	87 Å²	87	62 Å²	62	41%	0.407	29%	0.285	S	S	.	.	H	α-helix	trans	-62.8	-45.9	177.1	-73	-170.5	18.3	0	0	111.4	E130 Q131 Q136 W137 V138	E130-Q134 WeakPolarHBondContact O-CG 3.49Å; E130-Q134 PolarHBondContact O-N 2.94Å; Q131-Q134 PolarHBondContact O-N 2.7Å; Q134-Q136 PolarHBondContact O-N 3.22Å; Q134-W137 WeakPolarHBondContact O-CB 3.25Å; Q134-W137 PolarHBondContact O-N 2.73Å; Q134-V138 VanDerWaalsContact O-CG2 3.26Å; Q134-V138 WeakPolarHBondContact O-CG2 3.14Å; Q134-V138 PolarHBondContact O-N 3.07Å
135	D	68	Low	69.2	Low	68 Å²	68	60.3 Å²	60.3	36%	0.364	28%	0.279	S	S	.	.	H	α-helix	trans	-62.8	-45	179.3	-79.7	-6.1	0	0	0	112.2	Q131 W137 V138 R139	Q131-D135 WeakPolarHBondContact O-CB 3.43Å; Q131-D135 PolarHBondContact O-N 3.5Å; D135-W137 VanDerWaalsContact C-N 3.33Å; D135-V138 PolarHBondContact O-N 3.18Å; D135-R139 VanDerWaalsContact O-CG 3.23Å; D135-R139 WeakPolarHBondContact O-CG 3.42Å; D135-R139 PolarHBondContact O-N 3.22Å
136	Q	68.4	Low	69.4	Low	29 Å²	29	61 Å²	61	14%	0.136	28%	0.282	C	S	.	.	H	α-helix	trans	-63.2	-42.4	175.1	-175.5	63	63.3	0	0	110.7	L44 M128 E132 Q134 V138 R139 D140	L44-Q136 HydrophobicContact CD1-CG 4.22Å; M128-Q136 HydrophobicContact CE-CB 3.75Å; M128-Q136 HydrophobicContact CE-CG 4.12Å; E132-Q136 WeakPolarHBondContact O-CB 3.35Å; E132-Q136 PolarHBondContact O-N 2.85Å; Q134-Q136 PolarHBondContact O-N 3.22Å; Q136-V138 PolarHBondContact O-N 3.42Å; Q136-R139 WeakPolarHBondContact O-CB 3.4Å; Q136-R139 PolarHBondContact O-N 3.19Å; Q136-D140 PolarHBondContact NE2-OD1 3.5Å; Q136-D140 PolarHBondContact O-N 2.86Å
137	W	68.9	Low	69.6	Low	88 Å²	88	61.4 Å²	61.4	33%	0.333	28%	0.282	S	S	.	.	H	α-helix	trans	-61.9	-43.7	177.8	-174.8	-106.3	0	0	0	112.7	R133 Q134 D135 D140 W141	R133-W137 WeakPolarHBondContact O-CB 3.32Å; R133-W137 PolarHBondContact O-N 3.34Å; Q134-W137 WeakPolarHBondContact O-CB 3.25Å; Q134-W137 PolarHBondContact O-N 2.73Å; D135-W137 VanDerWaalsContact C-N 3.33Å; W137-D140 PolarHBondContact O-N 2.64Å; W137-W141 AromaticContact CD1-CD1 3.67Å; W137-W141 AromaticContact CD1-NE1 3.69Å; W137-W141 AromaticContact CE2-NE1 3.36Å; W137-W141 AromaticContact CZ2-NE1 3.77Å; W137-W141 AromaticContact NE1-CD1 3.58Å; W137-W141 AromaticContact NE1-NE1 3.09Å; W137-W141 VanDerWaalsContact O-CD1 3.28Å; W137-W141 PolarHBondContact O-N 3.09Å
138	V	71.3	Confident	69.8	Low	9 Å²	9	61.4 Å²	61.4	6%	0.055	28%	0.279	C	S	.	.	H	α-helix	trans	-61.9	-45.3	175.3	173.7	0	0	0	0	110.1	Q134 D135 Q136 D140 W141 F142 F194 V195 Y198	Q134-V138 VanDerWaalsContact O-CG2 3.26Å; Q134-V138 WeakPolarHBondContact O-CG2 3.14Å; Q134-V138 PolarHBondContact O-N 3.07Å; D135-V138 PolarHBondContact O-N 3.18Å; Q136-V138 PolarHBondContact O-N 3.42Å; V138-D140 VanDerWaalsContact C-N 3.31Å; V138-D140 PolarHBondContact O-N 3.28Å; V138-W141 PolarHBondContact O-N 2.88Å; V138-F142 PolarHBondContact O-N 3.35Å; V138-F194 HydrophobicContact CG1-CD1 4.01Å; V138-F194 HydrophobicContact CG1-CE1 3.69Å; V138-F194 WeakPolarHBondContact O-CE1 3.22Å; V138-V195 HydrophobicContact CG1-CG2 3.91Å; V138-Y198 HydrophobicContact CG1-CD1 4.43Å; V138-Y198 HydrophobicContact CG1-CG 4.26Å; V138-Y198 HydrophobicContact CG2-CD1 3.42Å; V138-Y198 VanDerWaalsContact CG2-CD1 3.42Å; V138-Y198 HydrophobicContact CG2-CD2 4.28Å; V138-Y198 HydrophobicContact CG2-CE1 3.34Å; V138-Y198 HydrophobicContact CG2-CE2 4.2Å; V138-Y198 HydrophobicContact CG2-CG 3.9Å
139	R	72.3	Confident	70.2	Confident	138 Å²	138	67 Å²	67	52%	0.521	30%	0.302	S	S	.	.	H	α-helix	trans	-60.8	-39.3	175.6	-70.8	171.2	-174.6	-145.4	3.7	112.3	D135 Q136 W141 F142 Q143 I191	D135-R139 VanDerWaalsContact O-CG 3.23Å; D135-R139 WeakPolarHBondContact O-CG 3.42Å; D135-R139 PolarHBondContact O-N 3.22Å; Q136-R139 WeakPolarHBondContact O-CB 3.4Å; Q136-R139 PolarHBondContact O-N 3.19Å; R139-W141 VanDerWaalsContact C-N 3.33Å; R139-W141 PolarHBondContact O-N 3.03Å; R139-F142 WeakPolarHBondContact O-CB 3.48Å; R139-F142 PolarHBondContact O-N 3.48Å; R139-Q143 WeakPolarHBondContact O-CG 3.28Å; R139-Q143 PolarHBondContact O-N 3.48Å; R139-I191 HydrophobicContact CG-CD1 4.34Å
140	D	71.1	Confident	71	Confident	4 Å²	4	67.1 Å²	67.1	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-64.8	-38.6	177.4	-67.1	-10	0	0	0	111.5	D42 Q136 W137 V138 Q143 K144	D42-D140 HydrophobicContact CB-CB 4.43Å; D42-D140 WeakPolarHBondContact CB-OD1 3.42Å; Q136-D140 PolarHBondContact NE2-OD1 3.5Å; Q136-D140 PolarHBondContact O-N 2.86Å; W137-D140 PolarHBondContact O-N 2.64Å; V138-D140 VanDerWaalsContact C-N 3.31Å; V138-D140 PolarHBondContact O-N 3.28Å; D140-Q143 PolarHBondContact O-N 3.34Å; D140-K144 WeakPolarHBondContact O-CB 3.38Å; D140-K144 VanDerWaalsContact O-CG 3.26Å; D140-K144 WeakPolarHBondContact O-CG 3.48Å; D140-K144 PolarHBondContact O-N 3.47Å
141	W	73.6	Confident	71.9	Confident	33 Å²	33	65.2 Å²	65.2	13%	0.125	31%	0.305	C	S	.	.	H	α-helix	trans	-64.5	-41.4	173.6	-83.3	116	0	0	0	112.4	W137 V138 R139 K144 A145 L161 M164 M165 F194	W137-W141 AromaticContact CD1-CD1 3.67Å; W137-W141 AromaticContact CD1-NE1 3.69Å; W137-W141 AromaticContact CE2-NE1 3.36Å; W137-W141 AromaticContact CZ2-NE1 3.77Å; W137-W141 AromaticContact NE1-CD1 3.58Å; W137-W141 AromaticContact NE1-NE1 3.09Å; W137-W141 VanDerWaalsContact O-CD1 3.28Å; W137-W141 PolarHBondContact O-N 3.09Å; V138-W141 PolarHBondContact O-N 2.88Å; R139-W141 VanDerWaalsContact C-N 3.33Å; R139-W141 PolarHBondContact O-N 3.03Å; W141-K144 HydrophobicContact CE3-CD 4.39Å; W141-K144 PolarHBondContact O-N 3.26Å; W141-A145 WeakPolarHBondContact O-CB 3.18Å; W141-A145 PolarHBondContact O-N 3Å; W141-L161 HydrophobicContact CB-CD1 4.15Å; W141-L161 HydrophobicContact CD2-CD1 3.96Å; W141-L161 HydrophobicContact CE3-CD1 3.26Å; W141-L161 HydrophobicContact CG-CD1 4.36Å; W141-L161 HydrophobicContact CZ3-CD1 3.92Å; W141-M164 HydrophobicContact CH2-CB 4.31Å; W141-M164 HydrophobicContact CZ3-CB 3.76Å; W141-M164 HydrophobicContact CZ3-CE 4.1Å; W141-M165 HydrophobicContact CD2-CG 3.78Å; W141-M165 HydrophobicContact CD2-SD 4.18Å; W141-M165 HydrophobicContact CE3-CG 3.78Å; W141-M165 HydrophobicContact CE3-SD 4.43Å; W141-M165 HydrophobicContact CG-SD 4.37Å; W141-M165 HydrophobicContact CH2-CB 4.47Å; W141-M165 HydrophobicContact CH2-CG 3.7Å; W141-M165 HydrophobicContact CZ2-CG 3.74Å; W141-M165 HydrophobicContact CZ3-CG 3.73Å; W141-F194 HydrophobicContact CB-CZ 4.25Å
142	F	76.3	Confident	73	Confident	15 Å²	15	65.8 Å²	65.8	7%	0.066	31%	0.307	C	S	.	.	H	α-helix	trans	-57.4	-51.6	173.7	-174.5	-97.9	0	0	0	111	V138 R139 K144 A145 D146 G151 M153 I191 F194	V138-F142 PolarHBondContact O-N 3.35Å; R139-F142 WeakPolarHBondContact O-CB 3.48Å; R139-F142 PolarHBondContact O-N 3.48Å; F142-K144 VanDerWaalsContact C-N 3.34Å; F142-K144 PolarHBondContact O-N 3.06Å; F142-A145 PolarHBondContact O-N 3.2Å; F142-A145 VanDerWaalsContact O-N 3.11Å; F142-D146 WeakPolarHBondContact O-CB 3.48Å; F142-D146 PolarHBondContact O-N 2.97Å; F142-G151 WeakPolarHBondContact CZ-O 3.42Å; F142-M153 HydrophobicContact CD2-CG 3.95Å; F142-M153 HydrophobicContact CD2-SD 3.55Å; F142-M153 VanDerWaalsContact CD2-SD 3.55Å; F142-M153 HydrophobicContact CE2-CB 4.23Å; F142-M153 HydrophobicContact CE2-CG 3.76Å; F142-M153 HydrophobicContact CE2-SD 3.96Å; F142-M153 HydrophobicContact CG-SD 4.37Å; F142-M153 HydrophobicContact CZ-CG 4.47Å; F142-I191 HydrophobicContact CB-CD1 3.72Å; F142-I191 HydrophobicContact CD1-CD1 3.68Å; F142-I191 HydrophobicContact CD2-CD1 3.91Å; F142-I191 HydrophobicContact CE1-CB 4.49Å; F142-I191 HydrophobicContact CE1-CD1 4.24Å; F142-I191 HydrophobicContact CE2-CD1 4.42Å; F142-I191 HydrophobicContact CG-CD1 3.48Å; F142-I191 VanDerWaalsContact CG-CD1 3.48Å; F142-I191 HydrophobicContact CZ-CB 4.41Å; F142-F194 HydrophobicContact CB-CD1 3.71Å; F142-F194 HydrophobicContact CB-CE1 3.75Å; F142-F194 HydrophobicContact CB-CG 4.41Å; F142-F194 HydrophobicContact CB-CZ 4.49Å; F142-F194 HydrophobicContact CD2-CB 3.57Å; F142-F194 AromaticContact CD2-CD1 3.57Å; F142-F194 HydrophobicContact CD2-CD1 3.57Å; F142-F194 HydrophobicContact CD2-CD2 4.08Å; F142-F194 HydrophobicContact CD2-CE1 4.29Å; F142-F194 AromaticContact CD2-CG 3.43Å; F142-F194 HydrophobicContact CD2-CG 3.43Å; F142-F194 VanDerWaalsContact CD2-CG 3.43Å; F142-F194 HydrophobicContact CE2-CB 3.81Å; F142-F194 HydrophobicContact CE2-CG 4.15Å; F142-F194 HydrophobicContact CG-CD1 4.08Å; F142-F194 HydrophobicContact CG-CG 4.37Å
143	Q	72.8	Confident	73.8	Confident	84 Å²	84	61.7 Å²	61.7	39%	0.393	29%	0.288	S	S	.	.	H	α-helix	trans	-63.3	-36.2	179.5	-69.1	178.9	10.7	0	0	113.1	R139 D140 A145	R139-Q143 WeakPolarHBondContact O-CG 3.28Å; R139-Q143 PolarHBondContact O-N 3.48Å; D140-Q143 PolarHBondContact O-N 3.34Å; Q143-A145 VanDerWaalsContact C-N 3.29Å; Q143-A145 PolarHBondContact O-N 3.11Å
144	K	72	Confident	75	Confident	85 Å²	85	60.2 Å²	60.2	37%	0.37	29%	0.286	S	S	.	.	H	α-helix	trans	-68.1	-30.8	175.7	-77.4	170	-173.9	163.9	0	112.3	D140 W141 F142 M164	D140-K144 WeakPolarHBondContact O-CB 3.38Å; D140-K144 VanDerWaalsContact O-CG 3.26Å; D140-K144 WeakPolarHBondContact O-CG 3.48Å; D140-K144 PolarHBondContact O-N 3.47Å; W141-K144 HydrophobicContact CE3-CD 4.39Å; W141-K144 PolarHBondContact O-N 3.26Å; F142-K144 VanDerWaalsContact C-N 3.34Å; F142-K144 PolarHBondContact O-N 3.06Å; K144-M164 HydrophobicContact CB-CE 4.07Å
145	A	73.8	Confident	76.1	Confident	4 Å²	4	57.7 Å²	57.7	3%	0.033	27%	0.274	C	S	.	.	H	α-helix	trans	-85.1	-36.9	-179.1	0	0	0	0	0	113.4	W141 F142 Q143 K147 M153 L161	W141-A145 WeakPolarHBondContact O-CB 3.18Å; W141-A145 PolarHBondContact O-N 3Å; F142-A145 PolarHBondContact O-N 3.2Å; F142-A145 VanDerWaalsContact O-N 3.11Å; Q143-A145 VanDerWaalsContact C-N 3.29Å; Q143-A145 PolarHBondContact O-N 3.11Å; A145-K147 VanDerWaalsContact C-N 3.35Å; A145-K147 PolarHBondContact O-N 3.42Å; A145-M153 HydrophobicContact CB-CE 3.57Å; A145-M153 HydrophobicContact CB-CG 4.35Å; A145-M153 HydrophobicContact CB-SD 3.63Å; A145-L161 HydrophobicContact CB-CB 3.89Å; A145-L161 HydrophobicContact CB-CD1 4.11Å; A145-L161 HydrophobicContact CB-CD2 4.18Å; A145-L161 HydrophobicContact CB-CG 4.27Å
146	D	77.6	Confident	76.9	Confident	19 Å²	19	62.5 Å²	62.5	10%	0.102	29%	0.291	C	S	.	.			trans	-69	86.3	174.7	178.9	4.2	0	0	0	110.2	F142 N148 K149 D150 G151	F142-D146 WeakPolarHBondContact O-CB 3.48Å; F142-D146 PolarHBondContact O-N 2.97Å; D146-N148 PolarHBondContact OD1-OD1 3.01Å; D146-K149 WeakPolarHBondContact OD1-CA 3.45Å; D146-K149 PolarHBondContact OD1-N 3.11Å; D146-K149 WeakPolarHBondContact OD2-CA 3.38Å; D146-D150 PolarHBondContact OD1-N 3.02Å; D146-D150 PolarHBondContact OD2-N 2.82Å; D146-G151 VanDerWaalsContact OD2-CA 3.31Å; D146-G151 WeakPolarHBondContact OD2-CA 3.48Å; D146-G151 PolarHBondContact OD2-N 3.48Å
147	K	72.7	Confident	77.8	Confident	128 Å²	128	62 Å²	62	56%	0.557	29%	0.289	S	S	*	.	S	Bend	trans	-81.3	-32.5	-173.7	-86.5	174.4	168.7	-76.8	0	113	A145 K149 E157 K160	A145-K147 VanDerWaalsContact C-N 3.35Å; A145-K147 PolarHBondContact O-N 3.42Å; K147-K149 VanDerWaalsContact C-N 3.26Å; K147-E157 PolarHBondContact N-OE1 3.21Å; K147-K160 HydrophobicContact CD-CD 4.17Å; K147-K160 VanDerWaalsContact CE-CD 3.43Å
148	N	76.1	Confident	78.5	Confident	85 Å²	85	57.8 Å²	57.8	46%	0.455	27%	0.273	S	S	.	.	S	Bend	trans	-84.6	-6.9	179.3	64.3	-0.8	0	0	0	111.7	D146 D150	D146-N148 PolarHBondContact OD1-OD1 3.01Å; N148-D150 VanDerWaalsContact ND2-CG 3.3Å; N148-D150 PolarHBondContact ND2-OD2 3.18Å; N148-D150 PolarHBondContact O-N 3.01Å; N148-D150 PolarHBondContact OD1-N 3.18Å; N148-D150 PolarHBondContact OD1-OD1 3.06Å; N148-D150 PolarHBondContact OD1-OD2 2.89Å
149	K	76.2	Confident	79.1	Confident	135 Å²	135	60.7 Å²	60.7	59%	0.587	29%	0.285	S	S	*	.			trans	58.2	35.2	179.1	-58.8	-164.4	174.1	-148.9	0	111.8	E41 D146 K147 G151	E41-K149 IonicContact OE1-NZ 2.91Å; E41-K149 PolarHBondContact OE1-NZ 2.92Å; E41-K149 IonicContact OE2-NZ 2.91Å; E41-K149 PolarHBondContact OE2-NZ 2.87Å; D146-K149 WeakPolarHBondContact OD1-CA 3.45Å; D146-K149 PolarHBondContact OD1-N 3.11Å; D146-K149 WeakPolarHBondContact OD2-CA 3.38Å; K147-K149 VanDerWaalsContact C-N 3.26Å; K149-G151 VanDerWaalsContact C-N 3.28Å
150	D	79.9	Confident	79.4	Confident	88 Å²	88	58 Å²	58	47%	0.471	28%	0.277	S	S	.	.	S	Bend	trans	-87.4	-1.5	179.2	74.5	11	0	0	0	112.9	D146 N148 K152	D146-D150 PolarHBondContact OD1-N 3.02Å; D146-D150 PolarHBondContact OD2-N 2.82Å; N148-D150 VanDerWaalsContact ND2-CG 3.3Å; N148-D150 PolarHBondContact ND2-OD2 3.18Å; N148-D150 PolarHBondContact O-N 3.01Å; N148-D150 PolarHBondContact OD1-N 3.18Å; N148-D150 PolarHBondContact OD1-OD1 3.06Å; N148-D150 PolarHBondContact OD1-OD2 2.89Å; D150-K152 VanDerWaalsContact C-N 3.3Å; D150-K152 WeakPolarHBondContact OD1-CA 3.46Å; D150-K152 PolarHBondContact OD1-N 3.22Å; D150-K152 VanDerWaalsContact OD1-O 3.05Å
151	G	78.8	Confident	79.9	Confident	41 Å²	41	57.8 Å²	57.8	42%	0.423	28%	0.276	S	S	.	.	S	Bend	trans	79.5	11.1	179	0	0	0	0	0	113.4	F142 D146 K149	F142-G151 WeakPolarHBondContact CZ-O 3.42Å; D146-G151 VanDerWaalsContact OD2-CA 3.31Å; D146-G151 WeakPolarHBondContact OD2-CA 3.48Å; D146-G151 PolarHBondContact OD2-N 3.48Å; K149-G151 VanDerWaalsContact C-N 3.28Å
152	K	85.9	Confident	80.2	Confident	71 Å²	71	56.5 Å²	56.5	31%	0.309	27%	0.272	S	S	.	.	S	Bend	trans	-137	162.8	179.6	-50.1	-165.1	-175.6	-157.3	0	110.5	D150 L189 E190	D150-K152 VanDerWaalsContact C-N 3.3Å; D150-K152 WeakPolarHBondContact OD1-CA 3.46Å; D150-K152 PolarHBondContact OD1-N 3.22Å; D150-K152 VanDerWaalsContact OD1-O 3.05Å; K152-L189 CarbonylContact C-O 3.58Å; K152-L189 WeakPolarHBondContact CA-O 3.42Å; K152-E190 HydrophobicContact CD-CG 4Å; K152-E190 VanDerWaalsContact CE-OE1 3.27Å; K152-E190 WeakPolarHBondContact CE-OE1 3.41Å; K152-E190 HydrophobicContact CG-CG 4.13Å; K152-E190 IonicContact NZ-OE1 2.73Å; K152-E190 PolarHBondContact NZ-OE1 3.3Å
153	M	84.9	Confident	80.1	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	111.9	177.9	-87	-175.1	63.6	0	0	111.2	F142 A145 V158 L161 S188 L189 F194	F142-M153 HydrophobicContact CD2-CG 3.95Å; F142-M153 HydrophobicContact CD2-SD 3.55Å; F142-M153 VanDerWaalsContact CD2-SD 3.55Å; F142-M153 HydrophobicContact CE2-CB 4.23Å; F142-M153 HydrophobicContact CE2-CG 3.76Å; F142-M153 HydrophobicContact CE2-SD 3.96Å; F142-M153 HydrophobicContact CG-SD 4.37Å; F142-M153 HydrophobicContact CZ-CG 4.47Å; A145-M153 HydrophobicContact CB-CE 3.57Å; A145-M153 HydrophobicContact CB-CG 4.35Å; A145-M153 HydrophobicContact CB-SD 3.63Å; M153-V158 HydrophobicContact CB-CG2 4.32Å; M153-V158 HydrophobicContact CE-CB 4.23Å; M153-V158 HydrophobicContact CE-CG2 3.42Å; M153-V158 VanDerWaalsContact CE-CG2 3.42Å; M153-L161 HydrophobicContact CE-CB 4.09Å; M153-L161 HydrophobicContact CE-CD2 3.48Å; M153-L161 VanDerWaalsContact CE-CD2 3.48Å; M153-L161 HydrophobicContact CE-CG 4.42Å; M153-L161 HydrophobicContact SD-CD2 4.31Å; M153-S188 CarbonylContact O-C 3.58Å; M153-S188 VanDerWaalsContact O-CA 3.31Å; M153-S188 WeakPolarHBondContact O-CA 3.49Å; M153-L189 HydrophobicContact CB-CB 4.29Å; M153-L189 PolarHBondContact N-O 2.77Å; M153-L189 PolarHBondContact O-N 3.1Å; M153-F194 HydrophobicContact CE-CD2 4.03Å; M153-F194 HydrophobicContact CE-CE2 3.87Å; M153-F194 HydrophobicContact SD-CD2 3.52Å; M153-F194 VanDerWaalsContact SD-CD2 3.52Å; M153-F194 HydrophobicContact SD-CE2 3.68Å; M153-F194 HydrophobicContact SD-CG 4.18Å; M153-F194 HydrophobicContact SD-CZ 4.4Å
154	N	89.3	Confident	80	Confident	54 Å²	54	60.7 Å²	60.7	29%	0.289	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	167.5	170.9	63	61.9	0	0	0	111.6	K156 E157 V158	N154-K156 PolarHBondContact O-N 3Å; N154-K156 VanDerWaalsContact O-N 3.12Å; N154-K156 WeakPolarHBondContact OD1-CA 3.43Å; N154-K156 VanDerWaalsContact OD1-CB 3.27Å; N154-K156 WeakPolarHBondContact OD1-CB 3.28Å; N154-K156 PolarHBondContact OD1-N 3.3Å; N154-E157 PolarHBondContact N-OE2 2.98Å; N154-E157 PolarHBondContact ND2-OE2 3.35Å; N154-E157 WeakPolarHBondContact O-CB 3.5Å; N154-E157 PolarHBondContact O-N 3.47Å; N154-E157 PolarHBondContact OD1-N 3.39Å; N154-V158 PolarHBondContact O-N 3.5Å
155	F	87.7	Confident	79.9	Confident	33 Å²	33	57 Å²	57	15%	0.145	28%	0.275	C	S	.	.	H	α-helix	trans	-59.1	-29.4	-177.8	-174.9	-122	0	0	0	114	V158 K159 E171 A174 L175 F178	F155-V158 PolarHBondContact O-N 2.59Å; F155-K159 HydrophobicContact CD1-CD 4.33Å; F155-K159 HydrophobicContact CE1-CD 3.72Å; F155-K159 HydrophobicContact CE1-CG 4.15Å; F155-K159 HydrophobicContact CE2-CG 4.16Å; F155-K159 HydrophobicContact CZ-CD 3.86Å; F155-K159 HydrophobicContact CZ-CG 3.92Å; F155-K159 WeakPolarHBondContact O-CG 3.48Å; F155-K159 PolarHBondContact O-N 2.95Å; F155-E171 HydrophobicContact CE1-CG 3.94Å; F155-E171 HydrophobicContact CZ-CG 4.07Å; F155-A174 HydrophobicContact CE2-CB 3.99Å; F155-A174 HydrophobicContact CZ-CB 4.13Å; F155-L175 HydrophobicContact CD1-CD1 4.16Å; F155-L175 HydrophobicContact CD2-CD1 4.12Å; F155-L175 HydrophobicContact CE1-CB 4.32Å; F155-L175 HydrophobicContact CE1-CD1 4.09Å; F155-L175 VanDerWaalsContact CE2-CA 3.46Å; F155-L175 HydrophobicContact CE2-CB 3.97Å; F155-L175 HydrophobicContact CE2-CD1 4.09Å; F155-L175 HydrophobicContact CG-CD1 4.18Å; F155-L175 HydrophobicContact CZ-CB 3.68Å; F155-L175 HydrophobicContact CZ-CD1 4.06Å; F155-L175 HydrophobicContact CZ-CG 4.46Å; F155-F178 HydrophobicContact CB-CD1 4.47Å; F155-F178 HydrophobicContact CB-CD2 4.46Å; F155-F178 HydrophobicContact CB-CE1 4.31Å; F155-F178 HydrophobicContact CB-CE2 4.25Å; F155-F178 HydrophobicContact CB-CZ 4.19Å; F155-F178 HydrophobicContact CD2-CB 3.9Å; F155-F178 HydrophobicContact CD2-CD1 4.25Å; F155-F178 HydrophobicContact CD2-CD2 4.05Å; F155-F178 AromaticContact CD2-CG 3.8Å; F155-F178 HydrophobicContact CD2-CG 3.8Å; F155-F178 HydrophobicContact CE2-CB 4.21Å
156	K	86.3	Confident	79.8	Confident	169 Å²	169	56.9 Å²	56.9	74%	0.735	27%	0.273	S	S	*	.	H	α-helix	trans	-69.8	-37	177.2	-170.5	-178.3	179.8	-179.4	0	111.4	N154 K160	N154-K156 PolarHBondContact O-N 3Å; N154-K156 VanDerWaalsContact O-N 3.12Å; N154-K156 WeakPolarHBondContact OD1-CA 3.43Å; N154-K156 VanDerWaalsContact OD1-CB 3.27Å; N154-K156 WeakPolarHBondContact OD1-CB 3.28Å; N154-K156 PolarHBondContact OD1-N 3.3Å; K156-K160 PolarHBondContact O-N 2.9Å
157	E	85.5	Confident	79.6	Confident	18 Å²	18	56.4 Å²	56.4	8%	0.084	27%	0.271	C	S	.	.	H	α-helix	trans	-69.7	-40.5	174	-73.2	164.4	150.9	0	0	111.4	K147 N154 K159 K160 L161	K147-E157 PolarHBondContact N-OE1 3.21Å; N154-E157 PolarHBondContact N-OE2 2.98Å; N154-E157 PolarHBondContact ND2-OE2 3.35Å; N154-E157 WeakPolarHBondContact O-CB 3.5Å; N154-E157 PolarHBondContact O-N 3.47Å; N154-E157 PolarHBondContact OD1-N 3.39Å; E157-K159 PolarHBondContact O-N 3.4Å; E157-K160 CarbonylContact O-C 3.53Å; E157-K160 WeakPolarHBondContact O-CB 3.35Å; E157-K160 PolarHBondContact O-N 3.19Å; E157-K160 VanDerWaalsContact O-N 3.09Å; E157-L161 WeakPolarHBondContact O-CB 3.45Å; E157-L161 PolarHBondContact O-N 3.28Å
158	V	84.8	Confident	79.6	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.2	-46.7	173.1	172.3	0	0	0	0	111.7	M153 N154 F155 K160 L161 L162 F178 L189 F197	M153-V158 HydrophobicContact CB-CG2 4.32Å; M153-V158 HydrophobicContact CE-CB 4.23Å; M153-V158 HydrophobicContact CE-CG2 3.42Å; M153-V158 VanDerWaalsContact CE-CG2 3.42Å; N154-V158 PolarHBondContact O-N 3.5Å; F155-V158 PolarHBondContact O-N 2.59Å; V158-K160 PolarHBondContact O-N 3.34Å; V158-L161 WeakPolarHBondContact O-CB 3.35Å; V158-L161 PolarHBondContact O-N 2.97Å; V158-L161 VanDerWaalsContact O-N 3.12Å; V158-L162 HydrophobicContact CG1-CD1 4.36Å; V158-L162 HydrophobicContact CG1-CG 4.5Å; V158-L162 WeakPolarHBondContact O-CG 3.44Å; V158-L162 PolarHBondContact O-N 3.23Å; V158-F178 HydrophobicContact CB-CD2 4.3Å; V158-F178 HydrophobicContact CG1-CD2 4.49Å; V158-F178 HydrophobicContact CG2-CD2 3.78Å; V158-F178 HydrophobicContact CG2-CE2 3.93Å; V158-L189 HydrophobicContact CG2-CD1 4.1Å; V158-F197 HydrophobicContact CG1-CE1 3.99Å; V158-F197 HydrophobicContact CG1-CE2 3.93Å; V158-F197 HydrophobicContact CG1-CZ 3.46Å; V158-F197 VanDerWaalsContact CG1-CZ 3.46Å
159	K	82.9	Confident	79.6	Confident	70 Å²	70	54.6 Å²	54.6	30%	0.304	26%	0.262	S	S	.	.	H	α-helix	trans	-59.3	-34.4	175	-76.3	-168.8	-68.9	-172.9	0	112.9	F155 E157 E171	F155-K159 HydrophobicContact CD1-CD 4.33Å; F155-K159 HydrophobicContact CE1-CD 3.72Å; F155-K159 HydrophobicContact CE1-CG 4.15Å; F155-K159 HydrophobicContact CE2-CG 4.16Å; F155-K159 HydrophobicContact CZ-CD 3.86Å; F155-K159 HydrophobicContact CZ-CG 3.92Å; F155-K159 WeakPolarHBondContact O-CG 3.48Å; F155-K159 PolarHBondContact O-N 2.95Å; E157-K159 PolarHBondContact O-N 3.4Å; K159-E171 HydrophobicContact CD-CG 4.43Å; K159-E171 IonicContact NZ-OE1 2.81Å; K159-E171 PolarHBondContact NZ-OE1 3.43Å
160	K	79.9	Confident	79.7	Confident	81 Å²	81	52.4 Å²	52.4	35%	0.352	26%	0.257	S	S	.	.	H	α-helix	trans	-73.6	-40.2	176.3	-171.8	171.5	178	135.1	0	111.3	K147 K156 E157 V158 K163 M164	K147-K160 HydrophobicContact CD-CD 4.17Å; K147-K160 VanDerWaalsContact CE-CD 3.43Å; K156-K160 PolarHBondContact O-N 2.9Å; E157-K160 CarbonylContact O-C 3.53Å; E157-K160 WeakPolarHBondContact O-CB 3.35Å; E157-K160 PolarHBondContact O-N 3.19Å; E157-K160 VanDerWaalsContact O-N 3.09Å; V158-K160 PolarHBondContact O-N 3.34Å; K160-K163 PolarHBondContact O-N 3.41Å; K160-M164 HydrophobicContact CG-SD 4.14Å; K160-M164 VanDerWaalsContact O-CG 3.31Å; K160-M164 WeakPolarHBondContact O-CG 3.27Å; K160-M164 PolarHBondContact O-N 3.12Å
161	L	81.4	Confident	79.7	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.3	-48.4	176.5	173.6	63.6	0	0	0	111.5	W141 A145 M153 E157 V158 K163 M164 M165 F194	W141-L161 HydrophobicContact CB-CD1 4.15Å; W141-L161 HydrophobicContact CD2-CD1 3.96Å; W141-L161 HydrophobicContact CE3-CD1 3.26Å; W141-L161 HydrophobicContact CG-CD1 4.36Å; W141-L161 HydrophobicContact CZ3-CD1 3.92Å; A145-L161 HydrophobicContact CB-CB 3.89Å; A145-L161 HydrophobicContact CB-CD1 4.11Å; A145-L161 HydrophobicContact CB-CD2 4.18Å; A145-L161 HydrophobicContact CB-CG 4.27Å; M153-L161 HydrophobicContact CE-CB 4.09Å; M153-L161 HydrophobicContact CE-CD2 3.48Å; M153-L161 VanDerWaalsContact CE-CD2 3.48Å; M153-L161 HydrophobicContact CE-CG 4.42Å; M153-L161 HydrophobicContact SD-CD2 4.31Å; E157-L161 WeakPolarHBondContact O-CB 3.45Å; E157-L161 PolarHBondContact O-N 3.28Å; V158-L161 WeakPolarHBondContact O-CB 3.35Å; V158-L161 PolarHBondContact O-N 2.97Å; V158-L161 VanDerWaalsContact O-N 3.12Å; L161-K163 VanDerWaalsContact C-N 3.26Å; L161-K163 PolarHBondContact O-N 2.84Å; L161-M164 CarbonylContact O-C 3.6Å; L161-M164 WeakPolarHBondContact O-CA 3.49Å; L161-M164 WeakPolarHBondContact O-CB 3.45Å; L161-M164 PolarHBondContact O-N 3.07Å; L161-M165 HydrophobicContact CD1-CG 3.79Å; L161-M165 HydrophobicContact CD1-SD 3.53Å; L161-M165 VanDerWaalsContact CD1-SD 3.53Å; L161-M165 HydrophobicContact CD2-SD 4.02Å; L161-M165 HydrophobicContact CG-CG 4.24Å; L161-M165 HydrophobicContact CG-SD 3.58Å; L161-M165 VanDerWaalsContact CG-SD 3.58Å; L161-M165 WeakPolarHBondContact O-CG 3.48Å; L161-M165 PolarHBondContact O-N 2.85Å; L161-F194 HydrophobicContact CD2-CD2 4.46Å; L161-F194 HydrophobicContact CD2-CE2 3.26Å; L161-F194 HydrophobicContact CD2-CZ 3.55Å
162	L	79.2	Confident	79.7	Confident	6 Å²	6	57.4 Å²	57.4	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-53.3	-46.8	177.4	-70.9	173.7	0	0	0	111.2	V158 M164 M165 N166 V167 M169 A174 F197 L201	V158-L162 HydrophobicContact CG1-CD1 4.36Å; V158-L162 HydrophobicContact CG1-CG 4.5Å; V158-L162 WeakPolarHBondContact O-CG 3.44Å; V158-L162 PolarHBondContact O-N 3.23Å; L162-M164 VanDerWaalsContact C-N 3.33Å; L162-M164 PolarHBondContact O-N 3.16Å; L162-M165 CarbonylContact O-C 3.57Å; L162-M165 PolarHBondContact O-N 2.94Å; L162-N166 PolarHBondContact O-N 3.06Å; L162-V167 CarbonylContact C-O 3.51Å; L162-V167 HydrophobicContact CB-CB 4.2Å; L162-V167 HydrophobicContact CD2-CB 4.19Å; L162-V167 HydrophobicContact CD2-CG1 4.15Å; L162-V167 HydrophobicContact CD2-CG2 4.33Å; L162-V167 WeakPolarHBondContact O-CB 3.49Å; L162-V167 PolarHBondContact O-N 3.25Å; L162-M169 HydrophobicContact CD1-CB 4.3Å; L162-M169 HydrophobicContact CD1-SD 4.32Å; L162-A174 HydrophobicContact CD1-CB 3.81Å; L162-F197 HydrophobicContact CD2-CE1 4.36Å; L162-F197 HydrophobicContact CD2-CZ 4.17Å; L162-L201 HydrophobicContact CD2-CD1 3.92Å; L162-L201 HydrophobicContact CD2-CD2 3.69Å; L162-L201 HydrophobicContact CD2-CG 4.48Å
163	K	74.4	Confident	79.4	Confident	122 Å²	122	58.2 Å²	58.2	53%	0.53	28%	0.279	S	S	.	.	H	α-helix	trans	-61.7	-38.8	173.7	-70.1	-177.1	178.2	-170.9	0	112.5	K160 L161 M165 N166 K635	K160-K163 PolarHBondContact O-N 3.41Å; L161-K163 VanDerWaalsContact C-N 3.26Å; L161-K163 PolarHBondContact O-N 2.84Å; K163-M165 VanDerWaalsContact C-N 3.33Å; K163-N166 PolarHBondContact O-N 3Å; K163-K635 WeakPolarHBondContact O-CE 3.48Å; K163-K635 PolarHBondContact O-NZ 2.8Å
164	M	70.8	Confident	79.3	Confident	65 Å²	65	58.3 Å²	58.3	32%	0.32	28%	0.279	S	S	.	.	H	α-helix	trans	-66.9	-35.3	177	-69.7	170.4	53.8	0	0	112.1	W141 K144 K160 L161 L162 N166 K635	W141-M164 HydrophobicContact CH2-CB 4.31Å; W141-M164 HydrophobicContact CZ3-CB 3.76Å; W141-M164 HydrophobicContact CZ3-CE 4.1Å; K144-M164 HydrophobicContact CB-CE 4.07Å; K160-M164 HydrophobicContact CG-SD 4.14Å; K160-M164 VanDerWaalsContact O-CG 3.31Å; K160-M164 WeakPolarHBondContact O-CG 3.27Å; K160-M164 PolarHBondContact O-N 3.12Å; L161-M164 CarbonylContact O-C 3.6Å; L161-M164 WeakPolarHBondContact O-CA 3.49Å; L161-M164 WeakPolarHBondContact O-CB 3.45Å; L161-M164 PolarHBondContact O-N 3.07Å; L162-M164 VanDerWaalsContact C-N 3.33Å; L162-M164 PolarHBondContact O-N 3.16Å; M164-N166 PolarHBondContact O-N 2.91Å; M164-K635 WeakPolarHBondContact O-CE 3.43Å
165	M	70.4	Confident	79.1	Confident	8 Å²	8	59.2 Å²	59.2	4%	0.039	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	8.9	177.4	-67.6	174.2	61.9	0	0	113.9	W141 L161 L162 K163 V167 Y198 L201 F672	W141-M165 HydrophobicContact CD2-CG 3.78Å; W141-M165 HydrophobicContact CD2-SD 4.18Å; W141-M165 HydrophobicContact CE3-CG 3.78Å; W141-M165 HydrophobicContact CE3-SD 4.43Å; W141-M165 HydrophobicContact CG-SD 4.37Å; W141-M165 HydrophobicContact CH2-CB 4.47Å; W141-M165 HydrophobicContact CH2-CG 3.7Å; W141-M165 HydrophobicContact CZ2-CG 3.74Å; W141-M165 HydrophobicContact CZ3-CG 3.73Å; L161-M165 HydrophobicContact CD1-CG 3.79Å; L161-M165 HydrophobicContact CD1-SD 3.53Å; L161-M165 VanDerWaalsContact CD1-SD 3.53Å; L161-M165 HydrophobicContact CD2-SD 4.02Å; L161-M165 HydrophobicContact CG-CG 4.24Å; L161-M165 HydrophobicContact CG-SD 3.58Å; L161-M165 VanDerWaalsContact CG-SD 3.58Å; L161-M165 WeakPolarHBondContact O-CG 3.48Å; L161-M165 PolarHBondContact O-N 2.85Å; L162-M165 CarbonylContact O-C 3.57Å; L162-M165 PolarHBondContact O-N 2.94Å; K163-M165 VanDerWaalsContact C-N 3.33Å; M165-V167 VanDerWaalsContact C-N 3.32Å; M165-V167 HydrophobicContact CB-CG2 4.25Å; M165-V167 PolarHBondContact O-N 2.92Å; M165-Y198 HydrophobicContact CE-CD2 3.85Å; M165-Y198 HydrophobicContact CE-CE2 3.49Å; M165-Y198 VanDerWaalsContact CE-CE2 3.49Å; M165-L201 HydrophobicContact CE-CD2 3.85Å; M165-L201 HydrophobicContact SD-CD2 4.49Å; M165-F672 HydrophobicContact CB-CD2 4.07Å; M165-F672 HydrophobicContact CB-CE2 4.2Å; M165-F672 HydrophobicContact CE-CD2 4.09Å; M165-F672 HydrophobicContact CE-CE1 4.19Å; M165-F672 HydrophobicContact CE-CE2 3.18Å; M165-F672 HydrophobicContact CE-CZ 3.24Å; M165-F672 WeakPolarHBondContact O-CD2 3.49Å
166	N	70.4	Confident	79	Confident	2 Å²	2	63.1 Å²	63.1	1%	0.011	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	29.2	178.5	-139.9	15.2	0	0	0	113.9	L162 K163 M164 L633 K635 I643 V644 G671 F672	L162-N166 PolarHBondContact O-N 3.06Å; K163-N166 PolarHBondContact O-N 3Å; M164-N166 PolarHBondContact O-N 2.91Å; N166-L633 PolarHBondContact ND2-O 3.12Å; N166-K635 HydrophobicContact CB-CG 4.24Å; N166-I643 WeakPolarHBondContact O-CG2 3.48Å; N166-I643 WeakPolarHBondContact OD1-CA 3.39Å; N166-I643 WeakPolarHBondContact OD1-CG2 3.37Å; N166-V644 WeakPolarHBondContact ND2-CG2 3.39Å; N166-V644 PolarHBondContact OD1-N 2.66Å; N166-V644 VanDerWaalsContact OD1-N 3.09Å; N166-G671 PolarHBondContact O-N 3.07Å; N166-F672 PolarHBondContact O-N 3.43Å
167	V	74.3	Confident	78.9	Confident	9 Å²	9	56.6 Å²	56.6	6%	0.055	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-105.7	123.3	175.3	-174.6	0	0	0	0	109.7	L162 M165 M169 F672	L162-V167 CarbonylContact C-O 3.51Å; L162-V167 HydrophobicContact CB-CB 4.2Å; L162-V167 HydrophobicContact CD2-CB 4.19Å; L162-V167 HydrophobicContact CD2-CG1 4.15Å; L162-V167 HydrophobicContact CD2-CG2 4.33Å; L162-V167 WeakPolarHBondContact O-CB 3.49Å; L162-V167 PolarHBondContact O-N 3.25Å; M165-V167 VanDerWaalsContact C-N 3.32Å; M165-V167 HydrophobicContact CB-CG2 4.25Å; M165-V167 PolarHBondContact O-N 2.92Å; V167-M169 HydrophobicContact CG1-CB 4.2Å; V167-M169 HydrophobicContact CG1-CE 4.19Å; V167-F672 HydrophobicContact CB-CB 4.34Å; V167-F672 HydrophobicContact CG2-CB 3.26Å; V167-F672 HydrophobicContact CG2-CD1 3.61Å; V167-F672 HydrophobicContact CG2-CD2 4.05Å; V167-F672 HydrophobicContact CG2-CE1 4.46Å; V167-F672 HydrophobicContact CG2-CG 3.35Å
168	E	72.7	Confident	79	Confident	120 Å²	120	56.1 Å²	56.1	56%	0.561	27%	0.273	S	S	*	.			trans	-94.3	124.5	157.5	-161.6	167.9	-151.4	0	0	109.5	I643 N669	E168-I643 HydrophobicContact CB-CD1 3.51Å; E168-I643 HydrophobicContact CG-CD1 4.08Å; E168-N669 HydrophobicContact CB-CB 3.75Å; E168-N669 VanDerWaalsContact CB-O 3.28Å; E168-N669 WeakPolarHBondContact CB-O 3.32Å; E168-N669 HydrophobicContact CG-CB 4.45Å; E168-N669 PolarHBondContact N-O 3.31Å; E168-N669 WeakPolarHBondContact OE2-CB 3.32Å; E168-N669 PolarHBondContact OE2-ND2 3.18Å
169	M	76.9	Confident	79.1	Confident	54 Å²	54	60.2 Å²	60.2	27%	0.266	30%	0.298	S	S	.	.			trans	-138.3	136.2	176.9	-170.1	176	-69.1	0	0	108.3	L162 V167 N173 A174 L177 L201	L162-M169 HydrophobicContact CD1-CB 4.3Å; L162-M169 HydrophobicContact CD1-SD 4.32Å; V167-M169 HydrophobicContact CG1-CB 4.2Å; V167-M169 HydrophobicContact CG1-CE 4.19Å; M169-N173 HydrophobicContact CG-CB 3.78Å; M169-N173 HydrophobicContact SD-CB 4.02Å; M169-A174 HydrophobicContact CG-CB 4.14Å; M169-A174 WeakPolarHBondContact SD-CA 3.44Å; M169-A174 HydrophobicContact SD-CB 3.85Å; M169-A174 PolarHBondContact SD-N 3.33Å; M169-A174 VanDerWaalsContact SD-N 3.42Å; M169-L177 HydrophobicContact CE-CD1 3.69Å; M169-L177 HydrophobicContact SD-CD1 3.78Å; M169-L201 HydrophobicContact CE-CD1 3.69Å
170	N	77	Confident	79.3	Confident	89 Å²	89	61.4 Å²	61.4	48%	0.476	31%	0.305	S	S	.	.			trans	-63.5	155.8	173.1	69.1	35.9	0	0	0	110.2	D172 N173 A174	N170-D172 VanDerWaalsContact C-N 3.28Å; N170-D172 PolarHBondContact O-N 3.32Å; N170-N173 PolarHBondContact ND2-ND2 3.43Å; N170-N173 PolarHBondContact O-N 3.17Å; N170-N173 WeakPolarHBondContact OD1-CB 3.44Å; N170-N173 PolarHBondContact OD1-N 3.21Å; N170-N173 PolarHBondContact OD1-ND2 2.89Å; N170-N173 PolarHBondContact OD1-OD1 3.34Å; N170-A174 WeakPolarHBondContact O-CB 3.4Å; N170-A174 PolarHBondContact O-N 2.72Å; N170-A174 VanDerWaalsContact O-N 3.07Å
171	E	80.7	Confident	79.6	Confident	109 Å²	109	57.5 Å²	57.5	51%	0.509	29%	0.289	S	S	.	.	H	α-helix	trans	-64.2	-34.7	-172.4	-173.1	158.7	-160.8	0	0	112.3	F155 K159 A174 L175	F155-E171 HydrophobicContact CE1-CG 3.94Å; F155-E171 HydrophobicContact CZ-CG 4.07Å; K159-E171 HydrophobicContact CD-CG 4.43Å; K159-E171 IonicContact NZ-OE1 2.81Å; K159-E171 PolarHBondContact NZ-OE1 3.43Å; E171-A174 PolarHBondContact O-N 3.46Å; E171-L175 WeakPolarHBondContact O-CB 3.47Å; E171-L175 PolarHBondContact O-N 3.29Å
172	D	78.9	Confident	79.9	Confident	126 Å²	126	58 Å²	58	67%	0.674	29%	0.291	S	S	*	.	H	α-helix	trans	-66.6	-44.3	-179.6	-62.7	-32.4	0	0	0	112.2	N170 L175 H176	N170-D172 VanDerWaalsContact C-N 3.28Å; N170-D172 PolarHBondContact O-N 3.32Å; D172-L175 PolarHBondContact O-N 3.14Å; D172-H176 WeakPolarHBondContact O-CB 3.18Å; D172-H176 PolarHBondContact O-N 3.16Å
173	N	79.4	Confident	80.2	Confident	88 Å²	88	65.1 Å²	65.1	47%	0.471	32%	0.322	S	S	.	.	H	α-helix	trans	-70	-40.6	177.4	-69.6	-5.1	0	0	0	111.4	M169 N170 L175 H176 L177	M169-N173 HydrophobicContact CG-CB 3.78Å; M169-N173 HydrophobicContact SD-CB 4.02Å; N170-N173 PolarHBondContact ND2-ND2 3.43Å; N170-N173 PolarHBondContact O-N 3.17Å; N170-N173 WeakPolarHBondContact OD1-CB 3.44Å; N170-N173 PolarHBondContact OD1-N 3.21Å; N170-N173 PolarHBondContact OD1-ND2 2.89Å; N170-N173 PolarHBondContact OD1-OD1 3.34Å; N173-L175 VanDerWaalsContact C-N 3.3Å; N173-L175 PolarHBondContact O-N 3.41Å; N173-H176 WeakPolarHBondContact O-CB 3.38Å; N173-H176 PolarHBondContact O-N 2.77Å; N173-L177 PolarHBondContact O-N 2.79Å
174	A	82.1	Confident	80.7	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.008	33%	0.328	C	S	.	.	H	α-helix	trans	-62.9	-41.5	175.9	0	0	0	0	0	110.8	F155 L162 M169 N170 E171 F178	F155-A174 HydrophobicContact CE2-CB 3.99Å; F155-A174 HydrophobicContact CZ-CB 4.13Å; L162-A174 HydrophobicContact CD1-CB 3.81Å; M169-A174 HydrophobicContact CG-CB 4.14Å; M169-A174 WeakPolarHBondContact SD-CA 3.44Å; M169-A174 HydrophobicContact SD-CB 3.85Å; M169-A174 PolarHBondContact SD-N 3.33Å; M169-A174 VanDerWaalsContact SD-N 3.42Å; N170-A174 WeakPolarHBondContact O-CB 3.4Å; N170-A174 PolarHBondContact O-N 2.72Å; N170-A174 VanDerWaalsContact O-N 3.07Å; E171-A174 PolarHBondContact O-N 3.46Å; A174-F178 VanDerWaalsContact O-CB 3.25Å; A174-F178 WeakPolarHBondContact O-CB 3.33Å; A174-F178 PolarHBondContact O-N 3.19Å
175	L	86.2	Confident	81.2	Confident	73 Å²	73	69.3 Å²	69.3	38%	0.382	35%	0.352	S	S	.	.	H	α-helix	trans	-66.5	-40.1	176.2	-174.6	62.9	0	0	0	110.8	F155 E171 D172 N173 F178 T179	F155-L175 HydrophobicContact CD1-CD1 4.16Å; F155-L175 HydrophobicContact CD2-CD1 4.12Å; F155-L175 HydrophobicContact CE1-CB 4.32Å; F155-L175 HydrophobicContact CE1-CD1 4.09Å; F155-L175 VanDerWaalsContact CE2-CA 3.46Å; F155-L175 HydrophobicContact CE2-CB 3.97Å; F155-L175 HydrophobicContact CE2-CD1 4.09Å; F155-L175 HydrophobicContact CG-CD1 4.18Å; F155-L175 HydrophobicContact CZ-CB 3.68Å; F155-L175 HydrophobicContact CZ-CD1 4.06Å; F155-L175 HydrophobicContact CZ-CG 4.46Å; E171-L175 WeakPolarHBondContact O-CB 3.47Å; E171-L175 PolarHBondContact O-N 3.29Å; D172-L175 PolarHBondContact O-N 3.14Å; N173-L175 VanDerWaalsContact C-N 3.3Å; N173-L175 PolarHBondContact O-N 3.41Å; L175-F178 HydrophobicContact CD1-CD1 4.48Å; L175-F178 WeakPolarHBondContact O-CB 3.46Å; L175-F178 PolarHBondContact O-N 3.44Å; L175-T179 WeakPolarHBondContact O-CB 3.31Å; L175-T179 PolarHBondContact O-N 2.89Å; L175-T179 PolarHBondContact O-OG1 3.38Å
176	H	85.3	Confident	81.9	Confident	115 Å²	115	71.7 Å²	71.7	53%	0.532	37%	0.37	S	S	.	.	H	α-helix	trans	-59.8	-51.4	176.4	-177.2	57.7	0	0	0	112.1	D172 N173 F178 T179 M180	D172-H176 WeakPolarHBondContact O-CB 3.18Å; D172-H176 PolarHBondContact O-N 3.16Å; N173-H176 WeakPolarHBondContact O-CB 3.38Å; N173-H176 PolarHBondContact O-N 2.77Å; H176-F178 VanDerWaalsContact C-N 3.31Å; H176-F178 PolarHBondContact O-N 3.35Å; H176-T179 PolarHBondContact O-N 2.89Å; H176-M180 PolarHBondContact NE2-SD 3.39Å; H176-M180 VanDerWaalsContact NE2-SD 3.38Å; H176-M180 WeakPolarHBondContact O-CG 3.21Å; H176-M180 PolarHBondContact O-N 3.15Å
177	L	84.1	Confident	82.6	Confident	32 Å²	32	73.8 Å²	73.8	17%	0.168	39%	0.391	C	S	.	.	H	α-helix	trans	-60.7	-41.1	176.1	-70.6	178	0	0	0	111.8	M169 N173 M180 A181 F197 M200 L201	M169-L177 HydrophobicContact CE-CD1 3.69Å; M169-L177 HydrophobicContact SD-CD1 3.78Å; N173-L177 PolarHBondContact O-N 2.79Å; L177-M180 PolarHBondContact O-N 3.22Å; L177-A181 WeakPolarHBondContact O-CB 3.33Å; L177-A181 PolarHBondContact O-N 2.88Å; L177-F197 HydrophobicContact CB-CD2 4.01Å; L177-F197 HydrophobicContact CB-CE2 3.59Å; L177-M200 HydrophobicContact CD2-CB 4.14Å; L177-M200 WeakPolarHBondContact O-CE 3.19Å; L177-L201 HydrophobicContact CD1-CD1 4.43Å
178	F	87.2	Confident	83.3	Confident	9 Å²	9	74.2 Å²	74.2	4%	0.039	40%	0.395	C	S	.	.	H	α-helix	trans	-59.7	-48.7	175.7	178.8	-92.1	0	0	0	111.7	F155 V158 A174 L175 H176 A181 D182 L189	F155-F178 HydrophobicContact CB-CD1 4.47Å; F155-F178 HydrophobicContact CB-CD2 4.46Å; F155-F178 HydrophobicContact CB-CE1 4.31Å; F155-F178 HydrophobicContact CB-CE2 4.25Å; F155-F178 HydrophobicContact CB-CZ 4.19Å; F155-F178 HydrophobicContact CD2-CB 3.9Å; F155-F178 HydrophobicContact CD2-CD1 4.25Å; F155-F178 HydrophobicContact CD2-CD2 4.05Å; F155-F178 AromaticContact CD2-CG 3.8Å; F155-F178 HydrophobicContact CD2-CG 3.8Å; F155-F178 HydrophobicContact CE2-CB 4.21Å; V158-F178 HydrophobicContact CB-CD2 4.3Å; V158-F178 HydrophobicContact CG1-CD2 4.49Å; V158-F178 HydrophobicContact CG2-CD2 3.78Å; V158-F178 HydrophobicContact CG2-CE2 3.93Å; A174-F178 VanDerWaalsContact O-CB 3.25Å; A174-F178 WeakPolarHBondContact O-CB 3.33Å; A174-F178 PolarHBondContact O-N 3.19Å; L175-F178 HydrophobicContact CD1-CD1 4.48Å; L175-F178 WeakPolarHBondContact O-CB 3.46Å; L175-F178 PolarHBondContact O-N 3.44Å; H176-F178 VanDerWaalsContact C-N 3.31Å; H176-F178 PolarHBondContact O-N 3.35Å; F178-A181 PolarHBondContact O-N 3.01Å; F178-D182 WeakPolarHBondContact O-CB 3.39Å; F178-D182 PolarHBondContact O-N 2.82Å; F178-L189 HydrophobicContact CD2-CD1 3.71Å; F178-L189 HydrophobicContact CD2-CD2 4.26Å; F178-L189 HydrophobicContact CD2-CG 3.82Å; F178-L189 HydrophobicContact CE2-CD1 3.91Å; F178-L189 HydrophobicContact CE2-CD2 4.17Å; F178-L189 HydrophobicContact CE2-CG 3.56Å; F178-L189 HydrophobicContact CZ-CG 4.28Å
179	T	87.6	Confident	83.9	Confident	85 Å²	85	68.5 Å²	68.5	52%	0.521	37%	0.368	S	S	.	.	H	α-helix	trans	-67.1	-37.2	-180	-60	0	0	0	0	111.9	L175 H176 A181 D182	L175-T179 WeakPolarHBondContact O-CB 3.31Å; L175-T179 PolarHBondContact O-N 2.89Å; L175-T179 PolarHBondContact O-OG1 3.38Å; H176-T179 PolarHBondContact O-N 2.89Å; T179-A181 VanDerWaalsContact C-N 3.28Å; T179-A181 PolarHBondContact O-N 3.47Å; T179-D182 PolarHBondContact O-N 3.43Å
180	M	86.4	Confident	84.4	Confident	95 Å²	95	69.8 Å²	69.8	47%	0.468	37%	0.373	S	S	.	.	H	α-helix	trans	-63	-36.7	172.9	-75	-174	66.2	0	0	112.2	H176 L177 M200	H176-M180 PolarHBondContact NE2-SD 3.39Å; H176-M180 VanDerWaalsContact NE2-SD 3.38Å; H176-M180 WeakPolarHBondContact O-CG 3.21Å; H176-M180 PolarHBondContact O-N 3.15Å; L177-M180 PolarHBondContact O-N 3.22Å; M180-M200 HydrophobicContact CB-CE 3.99Å; M180-M200 HydrophobicContact CB-SD 4.07Å; M180-M200 HydrophobicContact CE-SD 4.05Å
181	A	86.5	Confident	84.5	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-75.7	-34.6	177.8	0	0	0	0	0	113.1	L177 F178 T179 K183 L189 Q193 F197 M200	L177-A181 WeakPolarHBondContact O-CB 3.33Å; L177-A181 PolarHBondContact O-N 2.88Å; F178-A181 PolarHBondContact O-N 3.01Å; T179-A181 VanDerWaalsContact C-N 3.28Å; T179-A181 PolarHBondContact O-N 3.47Å; A181-K183 PolarHBondContact O-N 3.05Å; A181-L189 HydrophobicContact CB-CD1 4.28Å; A181-L189 HydrophobicContact CB-CD2 3.72Å; A181-Q193 WeakPolarHBondContact O-CB 3.5Å; A181-F197 HydrophobicContact CB-CB 3.61Å; A181-F197 HydrophobicContact CB-CD2 4.23Å; A181-F197 HydrophobicContact CB-CG 4.43Å; A181-M200 HydrophobicContact CB-CE 3.72Å
182	D	88.3	Confident	84.5	Confident	11 Å²	11	70.5 Å²	70.5	6%	0.059	38%	0.376	C	S	.	.			trans	-76.1	64.9	179.3	-171.8	14.2	0	0	0	112.3	F178 T179 C184 E185 S186 G187 L189 Q193	F178-D182 WeakPolarHBondContact O-CB 3.39Å; F178-D182 PolarHBondContact O-N 2.82Å; T179-D182 PolarHBondContact O-N 3.43Å; D182-C184 PolarHBondContact O-N 3.48Å; D182-E185 PolarHBondContact O-N 3.4Å; D182-E185 PolarHBondContact OD1-N 2.94Å; D182-S186 PolarHBondContact OD1-N 2.85Å; D182-S186 PolarHBondContact OD1-OG 2.89Å; D182-S186 PolarHBondContact OD2-N 2.84Å; D182-G187 WeakPolarHBondContact OD2-CA 3.46Å; D182-G187 PolarHBondContact OD2-N 2.84Å; D182-L189 HydrophobicContact CB-CD2 3.77Å; D182-Q193 PolarHBondContact OD1-NE2 2.94Å; D182-Q193 VanDerWaalsContact OD1-NE2 3.1Å
183	K	85.1	Confident	84.9	Confident	154 Å²	154	65.3 Å²	65.3	67%	0.67	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-20.7	178.2	-65.5	-174.4	179.5	176.1	0	114.6	A181 Q193	A181-K183 PolarHBondContact O-N 3.05Å; K183-Q193 VanDerWaalsContact N-NE2 3.18Å
184	C	83.7	Confident	85.1	Confident	96 Å²	96	61.1 Å²	61.1	65%	0.649	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-1	-179.3	-62.4	0	0	0	0	112.8	D182 S186	D182-C184 PolarHBondContact O-N 3.48Å; C184-S186 PolarHBondContact O-N 2.83Å; C184-S186 VanDerWaalsContact O-N 3.11Å
185	E	83.1	Confident	84.9	Confident	179 Å²	179	63 Å²	63	84%	0.836	34%	0.336	S	S	*	.			trans	49.8	34.5	-176.6	-59.1	-178.9	-174.8	0	0	112.9	D182 G187	D182-E185 PolarHBondContact O-N 3.4Å; D182-E185 PolarHBondContact OD1-N 2.94Å; E185-G187 VanDerWaalsContact C-N 3.3Å; E185-G187 PolarHBondContact O-N 3.47Å
186	S	84.6	Confident	84.5	Confident	59 Å²	59	62.1 Å²	62.1	41%	0.413	33%	0.33	S	S	.	.	S	Bend	trans	-80.1	-13.8	-173.4	75	0	0	0	0	113.3	D182 C184 S188	D182-S186 PolarHBondContact OD1-N 2.85Å; D182-S186 PolarHBondContact OD1-OG 2.89Å; D182-S186 PolarHBondContact OD2-N 2.84Å; C184-S186 PolarHBondContact O-N 2.83Å; C184-S186 VanDerWaalsContact O-N 3.11Å; S186-S188 VanDerWaalsContact C-N 3.25Å; S186-S188 PolarHBondContact OG-N 3.37Å; S186-S188 PolarHBondContact OG-O 3.4Å; S186-S188 PolarHBondContact OG-OG 2.7Å
187	G	85.4	Confident	84.5	Confident	45 Å²	45	56.7 Å²	56.7	46%	0.464	31%	0.305	S	S	.	.	S	Bend	trans	77.3	11.8	-169.4	0	0	0	0	0	113.2	D182 E185	D182-G187 WeakPolarHBondContact OD2-CA 3.46Å; D182-G187 PolarHBondContact OD2-N 2.84Å; E185-G187 VanDerWaalsContact C-N 3.3Å; E185-G187 PolarHBondContact O-N 3.47Å
188	S	87.6	Confident	84.2	Confident	18 Å²	18	56 Å²	56	13%	0.126	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	155.2	-179.2	60.7	0	0	0	0	111.2	M153 S186 Q193	M153-S188 CarbonylContact O-C 3.58Å; M153-S188 VanDerWaalsContact O-CA 3.31Å; M153-S188 WeakPolarHBondContact O-CA 3.49Å; S186-S188 VanDerWaalsContact C-N 3.25Å; S186-S188 PolarHBondContact OG-N 3.37Å; S186-S188 PolarHBondContact OG-O 3.4Å; S186-S188 PolarHBondContact OG-OG 2.7Å; S188-Q193 PolarHBondContact O-OE1 3.11Å
189	L	86.6	Confident	83.7	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	117.4	174.1	-56.1	177.4	0	0	0	109.5	K152 M153 V158 F178 A181 D182 Q193 F194 F197	K152-L189 CarbonylContact C-O 3.58Å; K152-L189 WeakPolarHBondContact CA-O 3.42Å; M153-L189 HydrophobicContact CB-CB 4.29Å; M153-L189 PolarHBondContact N-O 2.77Å; M153-L189 PolarHBondContact O-N 3.1Å; V158-L189 HydrophobicContact CG2-CD1 4.1Å; F178-L189 HydrophobicContact CD2-CD1 3.71Å; F178-L189 HydrophobicContact CD2-CD2 4.26Å; F178-L189 HydrophobicContact CD2-CG 3.82Å; F178-L189 HydrophobicContact CE2-CD1 3.91Å; F178-L189 HydrophobicContact CE2-CD2 4.17Å; F178-L189 HydrophobicContact CE2-CG 3.56Å; F178-L189 HydrophobicContact CZ-CG 4.28Å; A181-L189 HydrophobicContact CB-CD1 4.28Å; A181-L189 HydrophobicContact CB-CD2 3.72Å; D182-L189 HydrophobicContact CB-CD2 3.77Å; L189-Q193 HydrophobicContact CB-CB 4.15Å; L189-Q193 HydrophobicContact CD2-CB 3.92Å; L189-F194 HydrophobicContact CB-CB 4.35Å; L189-F197 HydrophobicContact CD1-CB 3.88Å; L189-F197 HydrophobicContact CD1-CD2 4.21Å; L189-F197 HydrophobicContact CD1-CG 4.02Å
190	E	86.1	Confident	83.4	Confident	81 Å²	81	58.4 Å²	58.4	38%	0.379	31%	0.306	S	S	.	.			trans	-73.1	167.7	162.8	-62.5	-174.9	179.1	0	0	109.9	K152 E192 Q193 F194	K152-E190 HydrophobicContact CD-CG 4Å; K152-E190 VanDerWaalsContact CE-OE1 3.27Å; K152-E190 WeakPolarHBondContact CE-OE1 3.41Å; K152-E190 HydrophobicContact CG-CG 4.13Å; K152-E190 IonicContact NZ-OE1 2.73Å; K152-E190 PolarHBondContact NZ-OE1 3.3Å; E190-E192 VanDerWaalsContact C-N 3.26Å; E190-E192 PolarHBondContact O-N 3.19Å; E190-E192 VanDerWaalsContact O-N 3.13Å; E190-Q193 CarbonylContact O-C 3.5Å; E190-Q193 PolarHBondContact O-N 3.07Å; E190-F194 PolarHBondContact O-N 2.82Å
191	I	80.3	Confident	83.1	Confident	61 Å²	61	54.7 Å²	54.7	31%	0.313	29%	0.288	S	S	.	.	H	α-helix	trans	-53	-41.1	-171.8	-172.4	64.1	0	0	0	113.5	R139 F142 F194 V195	R139-I191 HydrophobicContact CG-CD1 4.34Å; F142-I191 HydrophobicContact CB-CD1 3.72Å; F142-I191 HydrophobicContact CD1-CD1 3.68Å; F142-I191 HydrophobicContact CD2-CD1 3.91Å; F142-I191 HydrophobicContact CE1-CB 4.49Å; F142-I191 HydrophobicContact CE1-CD1 4.24Å; F142-I191 HydrophobicContact CE2-CD1 4.42Å; F142-I191 HydrophobicContact CG-CD1 3.48Å; F142-I191 VanDerWaalsContact CG-CD1 3.48Å; F142-I191 HydrophobicContact CZ-CB 4.41Å; I191-F194 HydrophobicContact CD1-CD1 4.47Å; I191-F194 WeakPolarHBondContact O-CB 3.23Å; I191-F194 PolarHBondContact O-N 2.96Å; I191-V195 WeakPolarHBondContact O-CG2 3.43Å; I191-V195 PolarHBondContact O-N 2.81Å
192	E	81.1	Confident	82.6	Confident	153 Å²	153	56.3 Å²	56.3	72%	0.715	30%	0.298	S	S	*	.	H	α-helix	trans	-67	-41.2	179.4	-67.7	152.9	-168.5	0	0	111.9	E190 F194 V195 H196	E190-E192 VanDerWaalsContact C-N 3.26Å; E190-E192 PolarHBondContact O-N 3.19Å; E190-E192 VanDerWaalsContact O-N 3.13Å; E192-F194 VanDerWaalsContact C-N 3.32Å; E192-V195 PolarHBondContact O-N 3.11Å; E192-H196 PolarHBondContact O-N 3.02Å; E192-H196 VanDerWaalsContact O-N 3.15Å
193	Q	85.4	Confident	82.3	Confident	16 Å²	16	61.5 Å²	61.5	8%	0.075	32%	0.322	C	S	.	.	H	α-helix	trans	-69.5	-33.4	175.2	-62.6	175.1	-58.4	0	0	111.1	A181 D182 K183 S188 L189 E190 H196 F197	A181-Q193 WeakPolarHBondContact O-CB 3.5Å; D182-Q193 PolarHBondContact OD1-NE2 2.94Å; D182-Q193 VanDerWaalsContact OD1-NE2 3.1Å; K183-Q193 VanDerWaalsContact N-NE2 3.18Å; S188-Q193 PolarHBondContact O-OE1 3.11Å; L189-Q193 HydrophobicContact CB-CB 4.15Å; L189-Q193 HydrophobicContact CD2-CB 3.92Å; E190-Q193 CarbonylContact O-C 3.5Å; E190-Q193 PolarHBondContact O-N 3.07Å; Q193-H196 PolarHBondContact O-N 3.26Å; Q193-F197 PolarHBondContact O-N 2.98Å
194	F	84.3	Confident	82.3	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-67.6	-42	174.1	175.2	-102.6	0	0	0	112.5	V138 W141 F142 M153 L161 L189 E190 I191 E192 H196 F197 Y198	V138-F194 HydrophobicContact CG1-CD1 4.01Å; V138-F194 HydrophobicContact CG1-CE1 3.69Å; V138-F194 WeakPolarHBondContact O-CE1 3.22Å; W141-F194 HydrophobicContact CB-CZ 4.25Å; F142-F194 HydrophobicContact CB-CD1 3.71Å; F142-F194 HydrophobicContact CB-CE1 3.75Å; F142-F194 HydrophobicContact CB-CG 4.41Å; F142-F194 HydrophobicContact CB-CZ 4.49Å; F142-F194 HydrophobicContact CD2-CB 3.57Å; F142-F194 AromaticContact CD2-CD1 3.57Å; F142-F194 HydrophobicContact CD2-CD1 3.57Å; F142-F194 HydrophobicContact CD2-CD2 4.08Å; F142-F194 HydrophobicContact CD2-CE1 4.29Å; F142-F194 AromaticContact CD2-CG 3.43Å; F142-F194 HydrophobicContact CD2-CG 3.43Å; F142-F194 VanDerWaalsContact CD2-CG 3.43Å; F142-F194 HydrophobicContact CE2-CB 3.81Å; F142-F194 HydrophobicContact CE2-CG 4.15Å; F142-F194 HydrophobicContact CG-CD1 4.08Å; F142-F194 HydrophobicContact CG-CG 4.37Å; M153-F194 HydrophobicContact CE-CD2 4.03Å; M153-F194 HydrophobicContact CE-CE2 3.87Å; M153-F194 HydrophobicContact SD-CD2 3.52Å; M153-F194 VanDerWaalsContact SD-CD2 3.52Å; M153-F194 HydrophobicContact SD-CE2 3.68Å; M153-F194 HydrophobicContact SD-CG 4.18Å; M153-F194 HydrophobicContact SD-CZ 4.4Å; L161-F194 HydrophobicContact CD2-CD2 4.46Å; L161-F194 HydrophobicContact CD2-CE2 3.26Å; L161-F194 HydrophobicContact CD2-CZ 3.55Å; L189-F194 HydrophobicContact CB-CB 4.35Å; E190-F194 PolarHBondContact O-N 2.82Å; I191-F194 HydrophobicContact CD1-CD1 4.47Å; I191-F194 WeakPolarHBondContact O-CB 3.23Å; I191-F194 PolarHBondContact O-N 2.96Å; E192-F194 VanDerWaalsContact C-N 3.32Å; F194-H196 PolarHBondContact O-N 3.29Å; F194-F197 HydrophobicContact CD2-CD1 4.36Å; F194-F197 HydrophobicContact CE2-CD1 4.23Å; F194-F197 WeakPolarHBondContact O-CB 3.42Å; F194-F197 PolarHBondContact O-N 2.87Å; F194-Y198 WeakPolarHBondContact O-CB 3.43Å; F194-Y198 PolarHBondContact O-N 2.75Å
195	V	77.8	Confident	82.6	Confident	42 Å²	42	54.6 Å²	54.6	26%	0.255	28%	0.284	S	S	.	.	H	α-helix	trans	-56.7	-44.7	172.3	170.8	0	0	0	0	109.6	V138 I191 E192 Y198 Q199	V138-V195 HydrophobicContact CG1-CG2 3.91Å; I191-V195 WeakPolarHBondContact O-CG2 3.43Å; I191-V195 PolarHBondContact O-N 2.81Å; E192-V195 PolarHBondContact O-N 3.11Å; V195-Y198 PolarHBondContact O-N 2.82Å; V195-Q199 HydrophobicContact CG1-CG 4.49Å; V195-Q199 WeakPolarHBondContact O-CG 3.31Å; V195-Q199 PolarHBondContact O-N 2.93Å
196	H	79	Confident	83.1	Confident	54 Å²	54	47.3 Å²	47.3	25%	0.25	25%	0.25	C	S	.	.	H	α-helix	trans	-63.4	-42.5	176.4	-169.7	47.8	0	0	0	113	E192 Q193 F194 Y198 Q199 M200	E192-H196 PolarHBondContact O-N 3.02Å; E192-H196 VanDerWaalsContact O-N 3.15Å; Q193-H196 PolarHBondContact O-N 3.26Å; F194-H196 PolarHBondContact O-N 3.29Å; H196-Y198 VanDerWaalsContact C-N 3.31Å; H196-Y198 PolarHBondContact O-N 2.79Å; H196-Q199 PolarHBondContact O-N 2.99Å; H196-M200 WeakPolarHBondContact O-CG 3.29Å; H196-M200 PolarHBondContact O-N 3.4Å; H196-M200 VanDerWaalsContact O-N 3.07Å
197	F	84.1	Confident	83.5	Confident	1 Å²	1	44.6 Å²	44.6	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-56.6	-45.6	172.1	174.9	-93.5	0	0	0	111.8	V158 L162 L177 A181 L189 Q193 F194 M200 L201	V158-F197 HydrophobicContact CG1-CE1 3.99Å; V158-F197 HydrophobicContact CG1-CE2 3.93Å; V158-F197 HydrophobicContact CG1-CZ 3.46Å; V158-F197 VanDerWaalsContact CG1-CZ 3.46Å; L162-F197 HydrophobicContact CD2-CE1 4.36Å; L162-F197 HydrophobicContact CD2-CZ 4.17Å; L177-F197 HydrophobicContact CB-CD2 4.01Å; L177-F197 HydrophobicContact CB-CE2 3.59Å; A181-F197 HydrophobicContact CB-CB 3.61Å; A181-F197 HydrophobicContact CB-CD2 4.23Å; A181-F197 HydrophobicContact CB-CG 4.43Å; L189-F197 HydrophobicContact CD1-CB 3.88Å; L189-F197 HydrophobicContact CD1-CD2 4.21Å; L189-F197 HydrophobicContact CD1-CG 4.02Å; Q193-F197 PolarHBondContact O-N 2.98Å; F194-F197 HydrophobicContact CD2-CD1 4.36Å; F194-F197 HydrophobicContact CE2-CD1 4.23Å; F194-F197 WeakPolarHBondContact O-CB 3.42Å; F194-F197 PolarHBondContact O-N 2.87Å; F197-M200 PolarHBondContact O-N 3.34Å; F197-L201 HydrophobicContact CE1-CD2 4.26Å; F197-L201 WeakPolarHBondContact O-CB 3.34Å; F197-L201 PolarHBondContact O-N 3.33Å
198	Y	79.2	Confident	83.9	Confident	18 Å²	18	47.7 Å²	47.7	7%	0.071	23%	0.229	C	C	.	.	H	α-helix	trans	-66.6	-40.9	-179.8	-178.4	-87.6	0	0	0	112.1	V138 M165 F194 V195 H196 M200 L201 T202 Q632 F672	V138-Y198 HydrophobicContact CG1-CD1 4.43Å; V138-Y198 HydrophobicContact CG1-CG 4.26Å; V138-Y198 HydrophobicContact CG2-CD1 3.42Å; V138-Y198 VanDerWaalsContact CG2-CD1 3.42Å; V138-Y198 HydrophobicContact CG2-CD2 4.28Å; V138-Y198 HydrophobicContact CG2-CE1 3.34Å; V138-Y198 HydrophobicContact CG2-CE2 4.2Å; V138-Y198 HydrophobicContact CG2-CG 3.9Å; M165-Y198 HydrophobicContact CE-CD2 3.85Å; M165-Y198 HydrophobicContact CE-CE2 3.49Å; M165-Y198 VanDerWaalsContact CE-CE2 3.49Å; F194-Y198 WeakPolarHBondContact O-CB 3.43Å; F194-Y198 PolarHBondContact O-N 2.75Å; V195-Y198 PolarHBondContact O-N 2.82Å; H196-Y198 VanDerWaalsContact C-N 3.31Å; H196-Y198 PolarHBondContact O-N 2.79Å; Y198-M200 VanDerWaalsContact C-N 3.33Å; Y198-M200 PolarHBondContact O-N 3.43Å; Y198-L201 WeakPolarHBondContact O-CB 3.49Å; Y198-L201 PolarHBondContact O-N 3.21Å; Y198-L201 VanDerWaalsContact O-N 3.16Å; Y198-T202 HydrophobicContact CD1-CG2 4.03Å; Y198-T202 HydrophobicContact CE1-CG2 3.56Å; Y198-T202 HydrophobicContact CE2-CG2 4.11Å; Y198-T202 HydrophobicContact CG-CG2 4.49Å; Y198-T202 WeakPolarHBondContact O-CB 3.43Å; Y198-T202 PolarHBondContact O-N 3.07Å; Y198-T202 PolarHBondContact O-OG1 2.77Å; Y198-Q632 PolarHBondContact OH-NE2 3.31Å; Y198-F672 HydrophobicContact CE2-CZ 4.37Å
199	Q	76.5	Confident	84.2	Confident	110 Å²	110	52.5 Å²	52.5	51%	0.514	25%	0.248	S	C	.	.	H	α-helix	trans	-58.7	-44.6	173.7	-74.5	172	-20.6	0	0	111.5	V195 H196 L201 T202 Q203	V195-Q199 HydrophobicContact CG1-CG 4.49Å; V195-Q199 WeakPolarHBondContact O-CG 3.31Å; V195-Q199 PolarHBondContact O-N 2.93Å; H196-Q199 PolarHBondContact O-N 2.99Å; Q199-L201 VanDerWaalsContact C-N 3.33Å; Q199-L201 PolarHBondContact O-N 3.47Å; Q199-T202 PolarHBondContact O-N 3.46Å; Q199-T202 PolarHBondContact O-OG1 2.84Å; Q199-Q203 PolarHBondContact O-N 3.24Å; Q199-Q203 VanDerWaalsContact O-N 3.11Å
200	M	81.1	Confident	84.6	Confident	33 Å²	33	53 Å²	53	16%	0.163	25%	0.25	C	S	.	.	H	α-helix	trans	-63.7	-38.8	174.6	-67.6	-173	-67.4	0	0	112.1	L177 M180 A181 H196 F197 Y198 T202	L177-M200 HydrophobicContact CD2-CB 4.14Å; L177-M200 WeakPolarHBondContact O-CE 3.19Å; M180-M200 HydrophobicContact CB-CE 3.99Å; M180-M200 HydrophobicContact CB-SD 4.07Å; M180-M200 HydrophobicContact CE-SD 4.05Å; A181-M200 HydrophobicContact CB-CE 3.72Å; H196-M200 WeakPolarHBondContact O-CG 3.29Å; H196-M200 PolarHBondContact O-N 3.4Å; H196-M200 VanDerWaalsContact O-N 3.07Å; F197-M200 PolarHBondContact O-N 3.34Å; Y198-M200 VanDerWaalsContact C-N 3.33Å; Y198-M200 PolarHBondContact O-N 3.43Å; M200-T202 VanDerWaalsContact C-N 3.3Å; M200-T202 PolarHBondContact O-N 3.48Å
201	L	80.3	Confident	85.1	Confident	17 Å²	17	49.2 Å²	49.2	9%	0.089	23%	0.233	C	C	.	.	H	α-helix	trans	-68.5	-29.1	177.9	-175.6	67	0	0	0	113	L162 M165 M169 L177 F197 Y198 Q199 F672 N673	L162-L201 HydrophobicContact CD2-CD1 3.92Å; L162-L201 HydrophobicContact CD2-CD2 3.69Å; L162-L201 HydrophobicContact CD2-CG 4.48Å; M165-L201 HydrophobicContact CE-CD2 3.85Å; M165-L201 HydrophobicContact SD-CD2 4.49Å; M169-L201 HydrophobicContact CE-CD1 3.69Å; L177-L201 HydrophobicContact CD1-CD1 4.43Å; F197-L201 HydrophobicContact CE1-CD2 4.26Å; F197-L201 WeakPolarHBondContact O-CB 3.34Å; F197-L201 PolarHBondContact O-N 3.33Å; Y198-L201 WeakPolarHBondContact O-CB 3.49Å; Y198-L201 PolarHBondContact O-N 3.21Å; Y198-L201 VanDerWaalsContact O-N 3.16Å; Q199-L201 VanDerWaalsContact C-N 3.33Å; Q199-L201 PolarHBondContact O-N 3.47Å; L201-F672 HydrophobicContact CD2-CE1 3.97Å; L201-F672 HydrophobicContact CD2-CZ 4.29Å; L201-F672 HydrophobicContact CG-CD1 4.32Å; L201-F672 HydrophobicContact CG-CE1 3.77Å; L201-F672 HydrophobicContact CG-CZ 4.5Å; L201-N673 PolarHBondContact O-ND2 3.23Å
202	T	75.8	Confident	85.8	Confident	34 Å²	34	49 Å²	49	21%	0.209	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	6.8	-177.7	50.7	0	0	0	0	113.5	Y198 Q199 M200 R204 F672	Y198-T202 HydrophobicContact CD1-CG2 4.03Å; Y198-T202 HydrophobicContact CE1-CG2 3.56Å; Y198-T202 HydrophobicContact CE2-CG2 4.11Å; Y198-T202 HydrophobicContact CG-CG2 4.49Å; Y198-T202 WeakPolarHBondContact O-CB 3.43Å; Y198-T202 PolarHBondContact O-N 3.07Å; Y198-T202 PolarHBondContact O-OG1 2.77Å; Q199-T202 PolarHBondContact O-N 3.46Å; Q199-T202 PolarHBondContact O-OG1 2.84Å; M200-T202 VanDerWaalsContact C-N 3.3Å; M200-T202 PolarHBondContact O-N 3.48Å; T202-R204 WeakPolarHBondContact O-CG 3.41Å; T202-R204 PolarHBondContact O-N 2.99Å; T202-F672 HydrophobicContact CG2-CE1 3.77Å; T202-F672 HydrophobicContact CG2-CZ 3.62Å
203	Q	81.1	Confident	86.5	Confident	120 Å²	120	47.6 Å²	47.6	56%	0.561	23%	0.228	S	C	*	.			trans	-57.4	131.2	175.8	-173.5	172.7	-8	0	0	110.8	Q199	Q199-Q203 PolarHBondContact O-N 3.24Å; Q199-Q203 VanDerWaalsContact O-N 3.11Å
204	R	86.4	Confident	86.9	Confident	18 Å²	18	48.8 Å²	48.8	7%	0.068	23%	0.232	C	C	.	.			trans	-108.9	82.6	-175.8	-63.4	-64.3	-61.8	-97.7	-19.3	110.1	T202 E206 V207 W208 S629	T202-R204 WeakPolarHBondContact O-CG 3.41Å; T202-R204 PolarHBondContact O-N 2.99Å; R204-E206 IonicContact CZ-OE1 3.59Å; R204-E206 IonicContact NE-OE1 2.69Å; R204-E206 PolarHBondContact NE-OE1 3Å; R204-E206 IonicContact NE-OE2 3.49Å; R204-E206 IonicContact NH2-OE1 3.67Å; R204-E206 PolarHBondContact NH2-OE1 3.31Å; R204-E206 PolarHBondContact O-N 3.26Å; R204-V207 HydrophobicContact CB-CB 3.93Å; R204-V207 HydrophobicContact CB-CG2 3.9Å; R204-V207 PolarHBondContact O-N 2.52Å; R204-V207 VanDerWaalsContact O-N 3.1Å; R204-W208 PolarHBondContact O-N 2.83Å; R204-S629 PolarHBondContact NH2-OG 2.65Å
205	D	89.9	Confident	87.5	Confident	87 Å²	87	49.2 Å²	49.2	47%	0.465	24%	0.235	S	C	.	.	H	α-helix	trans	-57.8	-34.4	-177.2	-73.6	-16.5	0	0	0	113.2	K209	D205-K209 WeakPolarHBondContact O-CB 3.5Å; D205-K209 WeakPolarHBondContact O-CG 3.31Å; D205-K209 PolarHBondContact O-N 3.38Å
206	E	93.2	Very high	88.1	Confident	26 Å²	26	50.6 Å²	50.6	12%	0.121	26%	0.258	C	S	.	.	H	α-helix	trans	-69.6	-36.3	177	75.6	-77.3	-162.3	0	0	112.7	R204 V210 I628 S629 F741	R204-E206 IonicContact CZ-OE1 3.59Å; R204-E206 IonicContact NE-OE1 2.69Å; R204-E206 PolarHBondContact NE-OE1 3Å; R204-E206 IonicContact NE-OE2 3.49Å; R204-E206 IonicContact NH2-OE1 3.67Å; R204-E206 PolarHBondContact NH2-OE1 3.31Å; R204-E206 PolarHBondContact O-N 3.26Å; E206-V210 WeakPolarHBondContact O-CG2 3.26Å; E206-V210 PolarHBondContact O-N 3.13Å; E206-I628 HydrophobicContact CB-CG2 3.92Å; E206-I628 HydrophobicContact CG-CG2 3.67Å; E206-S629 WeakPolarHBondContact OE1-CB 3.47Å; E206-S629 PolarHBondContact OE1-OG 2.64Å; E206-F741 HydrophobicContact CG-CD1 4.05Å; E206-F741 HydrophobicContact CG-CE1 4.22Å
207	V	93.4	Very high	88.6	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.018	27%	0.271	C	S	.	.	H	α-helix	trans	-73.8	-40.4	174.9	178.5	0	0	0	0	109.7	R204 K209 V210 F211 F268 Q269 L272 F741	R204-V207 HydrophobicContact CB-CB 3.93Å; R204-V207 HydrophobicContact CB-CG2 3.9Å; R204-V207 PolarHBondContact O-N 2.52Å; R204-V207 VanDerWaalsContact O-N 3.1Å; V207-K209 VanDerWaalsContact C-N 3.33Å; V207-K209 PolarHBondContact O-N 3.42Å; V207-V210 PolarHBondContact O-N 2.99Å; V207-F211 PolarHBondContact O-N 3.13Å; V207-F268 HydrophobicContact CG1-CD1 4.04Å; V207-F268 HydrophobicContact CG1-CE1 4.07Å; V207-Q269 HydrophobicContact CG1-CG 3.88Å; V207-L272 HydrophobicContact CG1-CD1 3.81Å; V207-F741 HydrophobicContact CG2-CD1 4.33Å; V207-F741 HydrophobicContact CG2-CE1 3.95Å; V207-F741 HydrophobicContact CG2-CZ 4.19Å
208	W	93.1	Very high	88.8	Confident	109 Å²	109	53.8 Å²	53.8	41%	0.413	28%	0.282	S	S	.	.	H	α-helix	trans	-58.9	-42.7	174.3	177.5	79.9	0	0	0	111.8	R204 F211 Q212	R204-W208 PolarHBondContact O-N 2.83Å; W208-F211 WeakPolarHBondContact O-CB 3.36Å; W208-F211 PolarHBondContact O-N 3.36Å; W208-Q212 HydrophobicContact CD2-CG 3.76Å; W208-Q212 HydrophobicContact CE3-CG 4.17Å; W208-Q212 HydrophobicContact CG-CG 4.33Å; W208-Q212 HydrophobicContact CH2-CG 3.9Å; W208-Q212 HydrophobicContact CZ2-CG 3.47Å; W208-Q212 VanDerWaalsContact CZ2-CG 3.47Å; W208-Q212 HydrophobicContact CZ3-CG 4.23Å; W208-Q212 VanDerWaalsContact O-CG 3.26Å; W208-Q212 WeakPolarHBondContact O-CG 3.31Å; W208-Q212 PolarHBondContact O-N 3.44Å
209	K	93.6	Very high	89.3	Confident	120 Å²	120	60 Å²	60	52%	0.522	31%	0.312	S	S	.	.	H	α-helix	trans	-58.9	-48.7	175.4	-77.3	166.5	-172.4	171.6	0	112.1	D205 V207 F211 Q212 D213	D205-K209 WeakPolarHBondContact O-CB 3.5Å; D205-K209 WeakPolarHBondContact O-CG 3.31Å; D205-K209 PolarHBondContact O-N 3.38Å; V207-K209 VanDerWaalsContact C-N 3.33Å; V207-K209 PolarHBondContact O-N 3.42Å; K209-F211 VanDerWaalsContact C-N 3.27Å; K209-F211 PolarHBondContact O-N 2.95Å; K209-Q212 PolarHBondContact O-N 2.77Å; K209-Q212 VanDerWaalsContact O-N 3.14Å; K209-D213 VanDerWaalsContact O-CG 3.28Å; K209-D213 PolarHBondContact O-N 3.34Å
210	V	95	Very high	90.1	Very high	9 Å²	9	58 Å²	58	6%	0.055	30%	0.3	C	S	.	.	H	α-helix	trans	-58.7	-42.5	176.7	175.2	0	0	0	0	110.8	E206 V207 D213 Y214 F229 F268 Y722	E206-V210 WeakPolarHBondContact O-CG2 3.26Å; E206-V210 PolarHBondContact O-N 3.13Å; V207-V210 PolarHBondContact O-N 2.99Å; V210-D213 PolarHBondContact O-N 3.37Å; V210-Y214 WeakPolarHBondContact O-CD2 3.19Å; V210-F229 HydrophobicContact CG1-CD2 4.23Å; V210-F229 HydrophobicContact CG1-CE2 3.56Å; V210-F229 HydrophobicContact CG1-CZ 4.41Å; V210-F268 HydrophobicContact CG1-CE1 4.39Å; V210-F268 HydrophobicContact CG1-CZ 4.22Å; V210-Y722 HydrophobicContact CG1-CD2 4Å; V210-Y722 HydrophobicContact CG1-CE2 3.81Å; V210-Y722 HydrophobicContact CG2-CD1 4.25Å; V210-Y722 HydrophobicContact CG2-CE1 3.68Å; V210-Y722 HydrophobicContact CG2-CE2 4.04Å
211	F	96.3	Very high	90.9	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.009	29%	0.292	C	S	.	.	H	α-helix	trans	-61.7	-45.1	175.6	176.8	-85.6	0	0	0	112.3	V207 W208 K209 D213 Y214 S215 E219 L221 L265 F268	V207-F211 PolarHBondContact O-N 3.13Å; W208-F211 WeakPolarHBondContact O-CB 3.36Å; W208-F211 PolarHBondContact O-N 3.36Å; K209-F211 VanDerWaalsContact C-N 3.27Å; K209-F211 PolarHBondContact O-N 2.95Å; F211-D213 VanDerWaalsContact C-N 3.32Å; F211-D213 PolarHBondContact O-N 3.28Å; F211-Y214 PolarHBondContact O-N 3.21Å; F211-S215 WeakPolarHBondContact O-CB 3.12Å; F211-S215 PolarHBondContact O-N 3.1Å; F211-E219 WeakPolarHBondContact CZ-O 3.32Å; F211-L221 HydrophobicContact CD2-CD1 3.62Å; F211-L221 HydrophobicContact CD2-CG 3.83Å; F211-L221 HydrophobicContact CE2-CB 4.45Å; F211-L221 HydrophobicContact CE2-CD1 3.73Å; F211-L221 HydrophobicContact CE2-CG 3.55Å; F211-L221 HydrophobicContact CZ-CG 4.13Å; F211-L265 HydrophobicContact CB-CD1 3.73Å; F211-L265 HydrophobicContact CD1-CD1 4.15Å; F211-L265 HydrophobicContact CD2-CB 4.4Å; F211-L265 HydrophobicContact CD2-CD1 3.94Å; F211-L265 HydrophobicContact CE1-CB 4.45Å; F211-L265 HydrophobicContact CE2-CB 4.22Å; F211-L265 HydrophobicContact CG-CD1 3.68Å; F211-L265 HydrophobicContact CZ-CB 4.24Å; F211-F268 HydrophobicContact CB-CD1 4.12Å; F211-F268 HydrophobicContact CB-CE1 4.21Å; F211-F268 HydrophobicContact CD2-CB 3.97Å; F211-F268 AromaticContact CD2-CD1 3.96Å; F211-F268 HydrophobicContact CD2-CD1 3.96Å; F211-F268 AromaticContact CD2-CG 4Å; F211-F268 HydrophobicContact CD2-CG 4Å; F211-F268 HydrophobicContact CE2-CB 4.33Å
212	Q	95.3	Very high	91.6	Very high	56 Å²	56	58.6 Å²	58.6	26%	0.262	31%	0.306	S	S	.	.	H	α-helix	trans	-66.4	-31.2	179.9	-70	-66.9	-51.2	0	0	113.2	W208 K209 Y214 G218	W208-Q212 HydrophobicContact CD2-CG 3.76Å; W208-Q212 HydrophobicContact CE3-CG 4.17Å; W208-Q212 HydrophobicContact CG-CG 4.33Å; W208-Q212 HydrophobicContact CH2-CG 3.9Å; W208-Q212 HydrophobicContact CZ2-CG 3.47Å; W208-Q212 VanDerWaalsContact CZ2-CG 3.47Å; W208-Q212 HydrophobicContact CZ3-CG 4.23Å; W208-Q212 VanDerWaalsContact O-CG 3.26Å; W208-Q212 WeakPolarHBondContact O-CG 3.31Å; W208-Q212 PolarHBondContact O-N 3.44Å; K209-Q212 PolarHBondContact O-N 2.77Å; K209-Q212 VanDerWaalsContact O-N 3.14Å; Q212-Y214 PolarHBondContact O-N 3.12Å; Q212-Y214 VanDerWaalsContact O-N 3.14Å; Q212-G218 PolarHBondContact NE2-O 3.17Å
213	D	95.1	Very high	92.6	Very high	124 Å²	124	59.1 Å²	59.1	66%	0.663	31%	0.307	S	S	*	.	H	α-helix	trans	-62.4	-20.8	177.9	-70.7	-25.1	0	0	0	112.3	K209 V210 F211	K209-D213 VanDerWaalsContact O-CG 3.28Å; K209-D213 PolarHBondContact O-N 3.34Å; V210-D213 PolarHBondContact O-N 3.37Å; F211-D213 VanDerWaalsContact C-N 3.32Å; F211-D213 PolarHBondContact O-N 3.28Å
214	Y	95.5	Very high	93.3	Very high	41 Å²	41	60.5 Å²	60.5	16%	0.161	31%	0.314	C	S	.	.	H	α-helix	trans	-114.9	-20.3	-178.8	-70.9	-89.7	0	0	0	114.2	V210 F211 Q212 E225 T228 F229 L232 E233	V210-Y214 WeakPolarHBondContact O-CD2 3.19Å; F211-Y214 PolarHBondContact O-N 3.21Å; Q212-Y214 PolarHBondContact O-N 3.12Å; Q212-Y214 VanDerWaalsContact O-N 3.14Å; Y214-E225 WeakPolarHBondContact O-CB 3.37Å; Y214-E225 VanDerWaalsContact O-CG 3.27Å; Y214-E225 WeakPolarHBondContact O-CG 3.35Å; Y214-T228 HydrophobicContact CD1-CG2 4.32Å; Y214-T228 HydrophobicContact CE1-CG2 4.11Å; Y214-F229 HydrophobicContact CD1-CB 3.89Å; Y214-F229 HydrophobicContact CD2-CB 4.34Å; Y214-F229 AromaticContact CD2-CD2 3.96Å; Y214-F229 HydrophobicContact CD2-CD2 3.96Å; Y214-F229 HydrophobicContact CE1-CB 4.19Å; Y214-F229 AromaticContact CE2-CD2 3.93Å; Y214-F229 HydrophobicContact CE2-CD2 3.93Å; Y214-F229 HydrophobicContact CG-CB 3.99Å; Y214-F229 HydrophobicContact CG-CD2 4.46Å; Y214-L232 HydrophobicContact CE1-CD1 4.39Å; Y214-E233 HydrophobicContact CE2-CG 3.75Å; Y214-E233 VanDerWaalsContact OH-CD 3.31Å; Y214-E233 WeakPolarHBondContact OH-CG 3.21Å; Y214-E233 PolarHBondContact OH-OE1 2.86Å
215	S	95.7	Very high	93.8	Very high	10 Å²	10	61.7 Å²	61.7	7%	0.07	32%	0.32	C	S	.	.			trans	-83.4	114.5	179.8	175.9	0	0	0	0	111.4	F211 D217 G218 E219 R220	F211-S215 WeakPolarHBondContact O-CB 3.12Å; F211-S215 PolarHBondContact O-N 3.1Å; S215-D217 VanDerWaalsContact C-N 3.34Å; S215-D217 PolarHBondContact O-N 3.49Å; S215-D217 PolarHBondContact OG-OD1 3.07Å; S215-D217 VanDerWaalsContact OG-OD1 3.11Å; S215-G218 VanDerWaalsContact OG-CA 3.31Å; S215-G218 WeakPolarHBondContact OG-CA 3.37Å; S215-G218 PolarHBondContact OG-N 2.95Å; S215-E219 PolarHBondContact OG-N 2.88Å; S215-R220 WeakPolarHBondContact CB-O 3.46Å; S215-R220 PolarHBondContact OG-O 3.25Å
216	G	90.4	Very high	94.1	Very high	70 Å²	70	57.5 Å²	57.5	72%	0.722	30%	0.298	S	S	*	.	S	Bend	trans	-70.2	-26.6	179.3	0	0	0	0	0	114.5	E225	G216-E225 WeakPolarHBondContact CA-OE1 3.39Å; G216-E225 PolarHBondContact N-OE1 2.85Å
217	D	90.1	Very high	94.3	Very high	99 Å²	99	58.4 Å²	58.4	53%	0.529	30%	0.302	S	S	.	.	S	Bend	trans	-101.2	-11.3	178.3	67.8	8.1	0	0	0	113.8	S215 E219 R220	S215-D217 VanDerWaalsContact C-N 3.34Å; S215-D217 PolarHBondContact O-N 3.49Å; S215-D217 PolarHBondContact OG-OD1 3.07Å; S215-D217 VanDerWaalsContact OG-OD1 3.11Å; D217-E219 PolarHBondContact O-N 2.82Å; D217-E219 PolarHBondContact OD1-N 2.61Å; D217-R220 PolarHBondContact OD1-N 2.95Å
218	G	88.2	Confident	94.4	Very high	24 Å²	24	59.9 Å²	59.9	25%	0.247	31%	0.311	C	S	.	.	S	Bend	trans	75.3	2.5	-177.2	0	0	0	0	0	114.5	Q212 S215	Q212-G218 PolarHBondContact NE2-O 3.17Å; S215-G218 VanDerWaalsContact OG-CA 3.31Å; S215-G218 WeakPolarHBondContact OG-CA 3.37Å; S215-G218 PolarHBondContact OG-N 2.95Å
219	E	88.4	Confident	94.6	Very high	147 Å²	147	54.8 Å²	54.8	69%	0.687	29%	0.292	S	S	*	.	S	Bend	trans	-115	-37	-178.3	-65.4	-170.2	172	0	0	112.3	F211 S215 D217	F211-E219 WeakPolarHBondContact CZ-O 3.32Å; S215-E219 PolarHBondContact OG-N 2.88Å; D217-E219 PolarHBondContact O-N 2.82Å; D217-E219 PolarHBondContact OD1-N 2.61Å
220	R	94.4	Very high	94.7	Very high	69 Å²	69	49 Å²	49	26%	0.26	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	155.4	-175.2	-62	-173.8	-179.3	-167	4	111.8	S215 D217 E260 S262 M263	S215-R220 WeakPolarHBondContact CB-O 3.46Å; S215-R220 PolarHBondContact OG-O 3.25Å; D217-R220 PolarHBondContact OD1-N 2.95Å; R220-E260 IonicContact CZ-OE2 3.18Å; R220-E260 IonicContact NH1-OE2 2.75Å; R220-E260 PolarHBondContact NH1-OE2 2.92Å; R220-S262 PolarHBondContact NH1-OG 3.01Å; R220-M263 CarbonylContact C-O 3.58Å; R220-M263 WeakPolarHBondContact CA-O 3.15Å
221	L	96.8	Very high	94.7	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120.3	164.5	-66	169.2	0	0	0	108.2	F211 E225 L226 S262 M263 F268	F211-L221 HydrophobicContact CD2-CD1 3.62Å; F211-L221 HydrophobicContact CD2-CG 3.83Å; F211-L221 HydrophobicContact CE2-CB 4.45Å; F211-L221 HydrophobicContact CE2-CD1 3.73Å; F211-L221 HydrophobicContact CE2-CG 3.55Å; F211-L221 HydrophobicContact CZ-CG 4.13Å; L221-E225 HydrophobicContact CB-CB 4.49Å; L221-E225 HydrophobicContact CD2-CB 4.04Å; L221-L226 HydrophobicContact CB-CB 4.38Å; L221-L226 HydrophobicContact CD1-CD1 4.3Å; L221-S262 CarbonylContact O-C 3.39Å; L221-S262 WeakPolarHBondContact O-CA 3.31Å; L221-S262 WeakPolarHBondContact O-CB 3.36Å; L221-M263 HydrophobicContact CB-CB 4.43Å; L221-M263 PolarHBondContact N-O 3.37Å; L221-M263 PolarHBondContact O-N 2.8Å; L221-F268 HydrophobicContact CD1-CD2 3.9Å; L221-F268 HydrophobicContact CD1-CE2 4.2Å; L221-F268 HydrophobicContact CD1-CG 4.34Å
222	T	96.9	Very high	94.5	Very high	62 Å²	62	59.4 Å²	59.4	38%	0.38	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	163.1	165.8	62.1	0	0	0	0	110.5	E224 E225 L226	T222-E224 PolarHBondContact O-N 3.2Å; T222-E225 WeakPolarHBondContact CB-OE2 3.12Å; T222-E225 WeakPolarHBondContact CG2-OE2 3.27Å; T222-E225 PolarHBondContact N-OE2 3.09Å; T222-E225 PolarHBondContact O-N 2.91Å; T222-E225 VanDerWaalsContact O-N 3.16Å; T222-E225 VanDerWaalsContact OG1-CD 3.25Å; T222-E225 VanDerWaalsContact OG1-CG 3.27Å; T222-E225 WeakPolarHBondContact OG1-CG 3.42Å; T222-E225 PolarHBondContact OG1-N 3.18Å; T222-E225 PolarHBondContact OG1-OE2 2.77Å; T222-L226 PolarHBondContact O-N 2.8Å
223	L	96.3	Very high	94.5	Very high	45 Å²	45	59.5 Å²	59.5	24%	0.236	31%	0.313	C	S	.	.	H	α-helix	trans	-51.6	-41.7	175.2	-179.3	64.8	0	0	0	112.7	E227 A244 Q245 I248 S261	L223-E227 VanDerWaalsContact O-CB 3.28Å; L223-E227 WeakPolarHBondContact O-CB 3.26Å; L223-E227 PolarHBondContact O-N 2.82Å; L223-A244 HydrophobicContact CD1-CB 3.72Å; L223-Q245 HydrophobicContact CD1-CB 4.02Å; L223-I248 HydrophobicContact CB-CD1 4.42Å; L223-I248 HydrophobicContact CD1-CD1 3.83Å; L223-S261 PolarHBondContact N-O 2.81Å
224	E	95.8	Very high	94.5	Very high	148 Å²	148	53.9 Å²	53.9	69%	0.692	28%	0.283	S	S	*	.	H	α-helix	trans	-70.5	-37.7	-179.5	-174.4	175.7	-177.6	0	0	112.5	T222 T228	T222-E224 PolarHBondContact O-N 3.2Å; E224-T228 WeakPolarHBondContact O-CB 3.49Å; E224-T228 PolarHBondContact O-N 3.03Å; E224-T228 PolarHBondContact O-OG1 2.89Å
225	E	96.9	Very high	94.2	Very high	43 Å²	43	54.3 Å²	54.3	20%	0.201	30%	0.299	C	S	.	.	H	α-helix	trans	-68.7	-43.6	175.8	-71.8	164	151.1	0	0	111.2	Y214 G216 L221 T222 T228 F229	Y214-E225 WeakPolarHBondContact O-CB 3.37Å; Y214-E225 VanDerWaalsContact O-CG 3.27Å; Y214-E225 WeakPolarHBondContact O-CG 3.35Å; G216-E225 WeakPolarHBondContact CA-OE1 3.39Å; G216-E225 PolarHBondContact N-OE1 2.85Å; L221-E225 HydrophobicContact CB-CB 4.49Å; L221-E225 HydrophobicContact CD2-CB 4.04Å; T222-E225 WeakPolarHBondContact CB-OE2 3.12Å; T222-E225 WeakPolarHBondContact CG2-OE2 3.27Å; T222-E225 PolarHBondContact N-OE2 3.09Å; T222-E225 PolarHBondContact O-N 2.91Å; T222-E225 VanDerWaalsContact O-N 3.16Å; T222-E225 VanDerWaalsContact OG1-CD 3.25Å; T222-E225 VanDerWaalsContact OG1-CG 3.27Å; T222-E225 WeakPolarHBondContact OG1-CG 3.42Å; T222-E225 PolarHBondContact OG1-N 3.18Å; T222-E225 PolarHBondContact OG1-OE2 2.77Å; E225-T228 WeakPolarHBondContact O-CB 3.29Å; E225-T228 PolarHBondContact O-N 2.95Å; E225-F229 PolarHBondContact O-N 3.45Å
226	L	96.9	Very high	93.8	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63.2	-44.2	174.5	-178.8	61.4	0	0	0	111.2	L221 T222 T228 F229 L230 A244 I248 M263 F268	L221-L226 HydrophobicContact CB-CB 4.38Å; L221-L226 HydrophobicContact CD1-CD1 4.3Å; T222-L226 PolarHBondContact O-N 2.8Å; L226-T228 PolarHBondContact O-N 3.29Å; L226-F229 HydrophobicContact CD1-CD1 4.17Å; L226-F229 WeakPolarHBondContact O-CB 3.36Å; L226-F229 PolarHBondContact O-N 2.9Å; L226-L230 WeakPolarHBondContact O-CG 3.35Å; L226-L230 PolarHBondContact O-N 3.13Å; L226-A244 HydrophobicContact CB-CB 4.39Å; L226-A244 HydrophobicContact CD2-CB 3.99Å; L226-A244 HydrophobicContact CG-CB 4Å; L226-I248 HydrophobicContact CD2-CD1 3.97Å; L226-I248 HydrophobicContact CD2-CG1 3.73Å; L226-M263 HydrophobicContact CD1-SD 4.27Å; L226-M263 HydrophobicContact CD2-CB 4.5Å; L226-M263 HydrophobicContact CD2-CE 3.83Å; L226-M263 HydrophobicContact CD2-SD 4.02Å; L226-F268 HydrophobicContact CD1-CD2 4.43Å; L226-F268 HydrophobicContact CD1-CE2 4.47Å
227	E	96.2	Very high	93.5	Very high	45 Å²	45	54.4 Å²	54.4	21%	0.21	29%	0.293	C	S	.	.	H	α-helix	trans	-57.2	-40.1	173.8	-179.9	-175.4	154	0	0	111.5	L223 L230 R231 S240 S241 A244	L223-E227 VanDerWaalsContact O-CB 3.28Å; L223-E227 WeakPolarHBondContact O-CB 3.26Å; L223-E227 PolarHBondContact O-N 2.82Å; E227-L230 PolarHBondContact O-N 3.01Å; E227-R231 VanDerWaalsContact O-CB 3.3Å; E227-R231 WeakPolarHBondContact O-CB 3.44Å; E227-R231 PolarHBondContact O-N 3.37Å; E227-S240 WeakPolarHBondContact CG-OG 3.32Å; E227-S241 VanDerWaalsContact CD-CB 3.46Å; E227-S241 WeakPolarHBondContact OE2-CA 3.47Å; E227-S241 WeakPolarHBondContact OE2-CB 3.49Å; E227-S241 PolarHBondContact OE2-OG 2.98Å; E227-A244 HydrophobicContact CB-CB 4.34Å
228	T	95.6	Very high	93	Very high	34 Å²	34	58 Å²	58	21%	0.209	31%	0.312	C	S	.	.	H	α-helix	trans	-66.6	-43	177.7	-60.5	0	0	0	0	111.5	Y214 E224 E225 L226 R231 L232	Y214-T228 HydrophobicContact CD1-CG2 4.32Å; Y214-T228 HydrophobicContact CE1-CG2 4.11Å; E224-T228 WeakPolarHBondContact O-CB 3.49Å; E224-T228 PolarHBondContact O-N 3.03Å; E224-T228 PolarHBondContact O-OG1 2.89Å; E225-T228 WeakPolarHBondContact O-CB 3.29Å; E225-T228 PolarHBondContact O-N 2.95Å; L226-T228 PolarHBondContact O-N 3.29Å; T228-R231 PolarHBondContact O-N 3.5Å; T228-R231 PolarHBondContact OG1-NH2 2.78Å; T228-L232 HydrophobicContact CG2-CD1 3.67Å; T228-L232 HydrophobicContact CG2-CG 4.16Å; T228-L232 WeakPolarHBondContact O-CB 3.37Å; T228-L232 WeakPolarHBondContact O-CG 3.43Å; T228-L232 PolarHBondContact O-N 3.37Å
229	F	96.6	Very high	92.8	Very high	1 Å²	1	64.2 Å²	64.2	0%	0.004	34%	0.335	C	S	.	.	H	α-helix	trans	-58	-49	171.8	166.9	-97.5	0	0	0	112.2	V210 Y214 E225 L226 R231 L232 E233 Q234 F268 Y271 Y722	V210-F229 HydrophobicContact CG1-CD2 4.23Å; V210-F229 HydrophobicContact CG1-CE2 3.56Å; V210-F229 HydrophobicContact CG1-CZ 4.41Å; Y214-F229 HydrophobicContact CD1-CB 3.89Å; Y214-F229 HydrophobicContact CD2-CB 4.34Å; Y214-F229 AromaticContact CD2-CD2 3.96Å; Y214-F229 HydrophobicContact CD2-CD2 3.96Å; Y214-F229 HydrophobicContact CE1-CB 4.19Å; Y214-F229 AromaticContact CE2-CD2 3.93Å; Y214-F229 HydrophobicContact CE2-CD2 3.93Å; Y214-F229 HydrophobicContact CG-CB 3.99Å; Y214-F229 HydrophobicContact CG-CD2 4.46Å; E225-F229 PolarHBondContact O-N 3.45Å; L226-F229 HydrophobicContact CD1-CD1 4.17Å; L226-F229 WeakPolarHBondContact O-CB 3.36Å; L226-F229 PolarHBondContact O-N 2.9Å; F229-R231 VanDerWaalsContact C-N 3.29Å; F229-R231 PolarHBondContact O-N 3.39Å; F229-L232 PolarHBondContact O-N 3.25Å; F229-E233 HydrophobicContact CD2-CB 3.89Å; F229-E233 HydrophobicContact CD2-CG 3.72Å; F229-E233 HydrophobicContact CE2-CB 3.76Å; F229-E233 HydrophobicContact CE2-CG 3.89Å; F229-E233 HydrophobicContact CZ-CB 4.44Å; F229-E233 WeakPolarHBondContact O-CB 3.11Å; F229-E233 PolarHBondContact O-N 3.28Å; F229-Q234 HydrophobicContact CD1-CG 4.27Å; F229-Q234 HydrophobicContact CE1-CG 3.64Å; F229-Q234 HydrophobicContact CZ-CG 4Å; F229-Q234 PolarHBondContact O-N 3.01Å; F229-F268 AromaticContact CD1-CE2 3.88Å; F229-F268 HydrophobicContact CD1-CE2 3.88Å; F229-F268 HydrophobicContact CD1-CZ 4.36Å; F229-F268 HydrophobicContact CD2-CZ 4.38Å; F229-F268 AromaticContact CE1-CE2 3.54Å; F229-F268 HydrophobicContact CE1-CE2 3.54Å; F229-F268 AromaticContact CE1-CZ 3.83Å; F229-F268 HydrophobicContact CE1-CZ 3.83Å; F229-F268 HydrophobicContact CE2-CE2 4.32Å; F229-F268 AromaticContact CE2-CZ 3.84Å; F229-F268 HydrophobicContact CE2-CZ 3.84Å; F229-F268 HydrophobicContact CG-CE2 4.39Å; F229-F268 AromaticContact CZ-CE2 3.76Å; F229-F268 HydrophobicContact CZ-CE2 3.76Å; F229-F268 AromaticContact CZ-CZ 3.51Å; F229-F268 HydrophobicContact CZ-CZ 3.51Å; F229-Y271 HydrophobicContact CE1-CE1 4.04Å; F229-Y722 AromaticContact CE2-CD2 3.85Å; F229-Y722 HydrophobicContact CE2-CD2 3.85Å; F229-Y722 HydrophobicContact CE2-CE2 4.35Å; F229-Y722 HydrophobicContact CZ-CD2 4.2Å
230	L	96.3	Very high	92.7	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60.2	-41.7	179.9	-67.5	178.4	0	0	0	111.5	L226 E227 Q234 G235 E236 H243 A244 L247	L226-L230 WeakPolarHBondContact O-CG 3.35Å; L226-L230 PolarHBondContact O-N 3.13Å; E227-L230 PolarHBondContact O-N 3.01Å; L230-Q234 HydrophobicContact CD2-CB 4.4Å; L230-Q234 HydrophobicContact CD2-CG 3.99Å; L230-Q234 CarbonylContact O-C 3.56Å; L230-Q234 WeakPolarHBondContact O-CA 3.06Å; L230-Q234 VanDerWaalsContact O-CB 3.24Å; L230-Q234 WeakPolarHBondContact O-CB 3.27Å; L230-Q234 PolarHBondContact O-N 3.27Å; L230-G235 PolarHBondContact O-N 3.38Å; L230-E236 HydrophobicContact CB-CB 4.29Å; L230-E236 HydrophobicContact CB-CG 4.31Å; L230-E236 WeakPolarHBondContact O-CB 3.24Å; L230-E236 PolarHBondContact O-N 3.02Å; L230-H243 HydrophobicContact CD1-CB 4.45Å; L230-A244 HydrophobicContact CD1-CB 3.82Å; L230-L247 HydrophobicContact CD1-CD1 3.99Å; L230-L247 HydrophobicContact CD2-CD1 3.96Å
231	R	94.4	Very high	92.5	Very high	119 Å²	119	56.3 Å²	56.3	45%	0.449	31%	0.307	S	S	.	.	H	α-helix	trans	-71.8	-43.9	-178.9	177	173.6	41	146.5	-0.5	113.5	E227 T228 F229 E236	E227-R231 VanDerWaalsContact O-CB 3.3Å; E227-R231 WeakPolarHBondContact O-CB 3.44Å; E227-R231 PolarHBondContact O-N 3.37Å; T228-R231 PolarHBondContact O-N 3.5Å; T228-R231 PolarHBondContact OG1-NH2 2.78Å; F229-R231 VanDerWaalsContact C-N 3.29Å; F229-R231 PolarHBondContact O-N 3.39Å; R231-E236 VanDerWaalsContact CA-O 3.3Å; R231-E236 WeakPolarHBondContact CA-O 3.4Å
232	L	93.4	Very high	92.2	Very high	110 Å²	110	62.2 Å²	62.2	58%	0.576	33%	0.334	S	S	*	.	H	α-helix	trans	-84.4	-44.7	-174.5	-63.2	-175.5	0	0	0	112.6	Y214 T228 F229	Y214-L232 HydrophobicContact CE1-CD1 4.39Å; T228-L232 HydrophobicContact CG2-CD1 3.67Å; T228-L232 HydrophobicContact CG2-CG 4.16Å; T228-L232 WeakPolarHBondContact O-CB 3.37Å; T228-L232 WeakPolarHBondContact O-CG 3.43Å; T228-L232 PolarHBondContact O-N 3.37Å; F229-L232 PolarHBondContact O-N 3.25Å
233	E	94.3	Very high	92	Very high	58 Å²	58	61.4 Å²	61.4	27%	0.271	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-43.8	-175.8	-59.7	-61	161.1	0	0	112.3	Y214 F229 G235 G721 Y722	Y214-E233 HydrophobicContact CE2-CG 3.75Å; Y214-E233 VanDerWaalsContact OH-CD 3.31Å; Y214-E233 WeakPolarHBondContact OH-CG 3.21Å; Y214-E233 PolarHBondContact OH-OE1 2.86Å; F229-E233 HydrophobicContact CD2-CB 3.89Å; F229-E233 HydrophobicContact CD2-CG 3.72Å; F229-E233 HydrophobicContact CE2-CB 3.76Å; F229-E233 HydrophobicContact CE2-CG 3.89Å; F229-E233 HydrophobicContact CZ-CB 4.44Å; F229-E233 WeakPolarHBondContact O-CB 3.11Å; F229-E233 PolarHBondContact O-N 3.28Å; E233-G235 VanDerWaalsContact C-N 3.28Å; E233-G235 PolarHBondContact O-N 2.75Å; E233-G721 WeakPolarHBondContact O-CA 3.27Å; E233-Y722 HydrophobicContact CB-CD2 3.96Å; E233-Y722 HydrophobicContact CB-CE2 4.01Å; E233-Y722 HydrophobicContact CG-CD2 4.33Å; E233-Y722 HydrophobicContact CG-CE2 3.92Å; E233-Y722 WeakPolarHBondContact OE2-CE2 3.3Å
234	Q	94.8	Very high	92	Very high	5 Å²	5	59.3 Å²	59.3	2%	0.023	32%	0.315	C	S	.	.	S	Bend	trans	-84.7	-3.9	-175.6	-57	-65.8	-13.7	0	0	113.6	F229 L230 E236 L720 Y722	F229-Q234 HydrophobicContact CD1-CG 4.27Å; F229-Q234 HydrophobicContact CE1-CG 3.64Å; F229-Q234 HydrophobicContact CZ-CG 4Å; F229-Q234 PolarHBondContact O-N 3.01Å; L230-Q234 HydrophobicContact CD2-CB 4.4Å; L230-Q234 HydrophobicContact CD2-CG 3.99Å; L230-Q234 CarbonylContact O-C 3.56Å; L230-Q234 WeakPolarHBondContact O-CA 3.06Å; L230-Q234 VanDerWaalsContact O-CB 3.24Å; L230-Q234 WeakPolarHBondContact O-CB 3.27Å; L230-Q234 PolarHBondContact O-N 3.27Å; Q234-E236 HydrophobicContact CB-CG 4.14Å; Q234-E236 PolarHBondContact O-N 3.19Å; Q234-L720 PolarHBondContact OE1-O 3.2Å; Q234-Y722 PolarHBondContact NE2-O 2.8Å; Q234-Y722 PolarHBondContact OE1-O 2.9Å
235	G	90.3	Very high	92	Very high	50 Å²	50	56.4 Å²	56.4	52%	0.515	30%	0.301	S	S	.	.			trans	67.7	23.5	-179.6	0	0	0	0	0	113.3	L230 E233	L230-G235 PolarHBondContact O-N 3.38Å; E233-G235 VanDerWaalsContact C-N 3.28Å; E233-G235 PolarHBondContact O-N 2.75Å
236	E	87.5	Confident	91.9	Very high	33 Å²	33	59 Å²	59	15%	0.154	31%	0.313	C	S	.	.			trans	-76.6	139.7	177.8	-62.3	-170	-169.4	0	0	111.5	L230 R231 Q234 H243	L230-E236 HydrophobicContact CB-CB 4.29Å; L230-E236 HydrophobicContact CB-CG 4.31Å; L230-E236 WeakPolarHBondContact O-CB 3.24Å; L230-E236 PolarHBondContact O-N 3.02Å; R231-E236 VanDerWaalsContact CA-O 3.3Å; R231-E236 WeakPolarHBondContact CA-O 3.4Å; Q234-E236 HydrophobicContact CB-CG 4.14Å; Q234-E236 PolarHBondContact O-N 3.19Å; E236-H243 IonicContact OE1-CE1 3.64Å; E236-H243 PolarHBondContact OE1-CE1 2.84Å; E236-H243 IonicContact OE1-ND1 3.68Å; E236-H243 PolarHBondContact OE1-ND1 2.81Å; E236-H243 IonicContact OE2-CE1 2.77Å; E236-H243 IonicContact OE2-CG 3.89Å; E236-H243 IonicContact OE2-ND1 2.79Å; E236-H243 PolarHBondContact OE2-ND1 2.79Å
237	G	83.6	Confident	91.9	Very high	49 Å²	49	59.1 Å²	59.1	51%	0.505	31%	0.314	S	S	.	.			trans	-88.8	-147	177.7	0	0	0	0	0	112.8	Q239 S240	G237-Q239 PolarHBondContact O-N 2.68Å; G237-S240 WeakPolarHBondContact O-CB 3.5Å; G237-S240 PolarHBondContact O-N 2.72Å; G237-S240 PolarHBondContact O-OG 3.03Å
238	D	79	Confident	91.9	Very high	174 Å²	174	57.1 Å²	57.1	93%	0.93	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-9.4	-175.3	-58.7	-28.6	0	0	0	115.6
239	Q	83.4	Confident	91.9	Very high	156 Å²	156	61.5 Å²	61.5	73%	0.729	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-5.8	177.3	-65.1	-171.1	-19.8	0	0	113.7	G237 S241 Q242 H243	G237-Q239 PolarHBondContact O-N 2.68Å; Q239-S241 VanDerWaalsContact C-N 3.26Å; Q239-S241 PolarHBondContact O-N 2.85Å; Q239-Q242 PolarHBondContact O-N 2.92Å; Q239-H243 PolarHBondContact O-N 3.48Å; Q239-H243 VanDerWaalsContact O-N 3.09Å
240	S	87.9	Confident	91.7	Very high	2 Å²	2	69 Å²	69	1%	0.014	35%	0.351	C	S	.	.	H	α-helix	trans	-55.6	-36.3	-175.4	57.5	0	0	0	0	113.4	E227 G237 H243 A244	E227-S240 WeakPolarHBondContact CG-OG 3.32Å; G237-S240 WeakPolarHBondContact O-CB 3.5Å; G237-S240 PolarHBondContact O-N 2.72Å; G237-S240 PolarHBondContact O-OG 3.03Å; S240-H243 PolarHBondContact O-N 2.81Å; S240-A244 VanDerWaalsContact O-CB 3.29Å; S240-A244 WeakPolarHBondContact O-CB 3.36Å; S240-A244 PolarHBondContact O-N 3.44Å
241	S	88.6	Confident	91.5	Very high	48 Å²	48	70.1 Å²	70.1	34%	0.336	36%	0.356	S	S	.	.	H	α-helix	trans	-66.7	-46.5	-177.8	-159	0	0	0	0	112.6	E227 Q239 H243 Q245	E227-S241 VanDerWaalsContact CD-CB 3.46Å; E227-S241 WeakPolarHBondContact OE2-CA 3.47Å; E227-S241 WeakPolarHBondContact OE2-CB 3.49Å; E227-S241 PolarHBondContact OE2-OG 2.98Å; Q239-S241 VanDerWaalsContact C-N 3.26Å; Q239-S241 PolarHBondContact O-N 2.85Å; S241-H243 VanDerWaalsContact C-N 3.33Å; S241-Q245 PolarHBondContact O-N 3.3Å
242	Q	91.8	Very high	91.4	Very high	125 Å²	125	65.1 Å²	65.1	58%	0.584	34%	0.337	S	S	*	.	H	α-helix	trans	-66.4	-39.9	176.7	-176.6	178.5	6.6	0	0	110.8	Q239 Q245 Q246	Q239-Q242 PolarHBondContact O-N 2.92Å; Q242-Q245 PolarHBondContact O-N 3.04Å; Q242-Q246 WeakPolarHBondContact O-CG 3.3Å; Q242-Q246 PolarHBondContact O-N 3.47Å
243	H	93	Very high	91	Very high	45 Å²	45	62.9 Å²	62.9	21%	0.208	33%	0.329	C	S	.	.	H	α-helix	trans	-66.6	-44.1	179.4	-170.6	-153.3	0	0	0	111.6	L230 E236 Q239 S240 S241 Q245 Q246 L247	L230-H243 HydrophobicContact CD1-CB 4.45Å; E236-H243 IonicContact OE1-CE1 3.64Å; E236-H243 PolarHBondContact OE1-CE1 2.84Å; E236-H243 IonicContact OE1-ND1 3.68Å; E236-H243 PolarHBondContact OE1-ND1 2.81Å; E236-H243 IonicContact OE2-CE1 2.77Å; E236-H243 IonicContact OE2-CG 3.89Å; E236-H243 IonicContact OE2-ND1 2.79Å; E236-H243 PolarHBondContact OE2-ND1 2.79Å; Q239-H243 PolarHBondContact O-N 3.48Å; Q239-H243 VanDerWaalsContact O-N 3.09Å; S240-H243 PolarHBondContact O-N 2.81Å; S241-H243 VanDerWaalsContact C-N 3.33Å; H243-Q245 VanDerWaalsContact C-N 3.27Å; H243-Q245 PolarHBondContact O-N 3.19Å; H243-Q246 WeakPolarHBondContact O-CB 3.13Å; H243-Q246 PolarHBondContact O-N 2.82Å; H243-L247 WeakPolarHBondContact O-CG 3.47Å; H243-L247 PolarHBondContact O-N 2.87Å
244	A	96.1	Very high	90.6	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-53.7	-43.8	174.9	0	0	0	0	0	112	L223 L226 E227 L230 S240 Q246 L247 I248	L223-A244 HydrophobicContact CD1-CB 3.72Å; L226-A244 HydrophobicContact CB-CB 4.39Å; L226-A244 HydrophobicContact CD2-CB 3.99Å; L226-A244 HydrophobicContact CG-CB 4Å; E227-A244 HydrophobicContact CB-CB 4.34Å; L230-A244 HydrophobicContact CD1-CB 3.82Å; S240-A244 VanDerWaalsContact O-CB 3.29Å; S240-A244 WeakPolarHBondContact O-CB 3.36Å; S240-A244 PolarHBondContact O-N 3.44Å; A244-Q246 PolarHBondContact O-N 3.04Å; A244-L247 PolarHBondContact O-N 2.94Å; A244-I248 WeakPolarHBondContact O-CG1 3.36Å; A244-I248 PolarHBondContact O-N 3.43Å
245	Q	95.8	Very high	90.4	Very high	87 Å²	87	68.7 Å²	68.7	41%	0.407	36%	0.361	S	S	.	.	H	α-helix	trans	-64.6	-40	177.4	-168.6	174.9	24.4	0	0	112.5	L223 S241 Q242 H243 Q249	L223-Q245 HydrophobicContact CD1-CB 4.02Å; S241-Q245 PolarHBondContact O-N 3.3Å; Q242-Q245 PolarHBondContact O-N 3.04Å; H243-Q245 VanDerWaalsContact C-N 3.27Å; H243-Q245 PolarHBondContact O-N 3.19Å; Q245-Q249 VanDerWaalsContact O-CG 3.31Å; Q245-Q249 WeakPolarHBondContact O-CG 3.31Å; Q245-Q249 PolarHBondContact O-N 3.27Å
246	Q	95.2	Very high	90.5	Very high	97 Å²	97	69.1 Å²	69.1	45%	0.453	36%	0.356	S	S	.	.	H	α-helix	trans	-65.6	-41.9	176.1	-70	171.3	-5.4	0	0	111.7	Q242 H243 A244 Q249 R250	Q242-Q246 WeakPolarHBondContact O-CG 3.3Å; Q242-Q246 PolarHBondContact O-N 3.47Å; H243-Q246 WeakPolarHBondContact O-CB 3.13Å; H243-Q246 PolarHBondContact O-N 2.82Å; A244-Q246 PolarHBondContact O-N 3.04Å; Q246-Q249 PolarHBondContact O-N 2.75Å; Q246-R250 VanDerWaalsContact O-CB 3.26Å; Q246-R250 WeakPolarHBondContact O-CB 3.46Å; Q246-R250 PolarHBondContact O-N 2.69Å
247	L	95.7	Very high	90.7	Very high	4 Å²	4	67.5 Å²	67.5	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-62.8	-44.4	177.3	-67.2	179.5	0	0	0	111.4	L230 H243 A244 R250 Y251 M263 Y271 E276	L230-L247 HydrophobicContact CD1-CD1 3.99Å; L230-L247 HydrophobicContact CD2-CD1 3.96Å; H243-L247 WeakPolarHBondContact O-CG 3.47Å; H243-L247 PolarHBondContact O-N 2.87Å; A244-L247 PolarHBondContact O-N 2.94Å; L247-R250 PolarHBondContact O-N 2.65Å; L247-Y251 HydrophobicContact CB-CD2 4.49Å; L247-Y251 HydrophobicContact CD2-CD2 3.87Å; L247-Y251 HydrophobicContact CD2-CE2 3.78Å; L247-Y251 WeakPolarHBondContact O-CB 3.44Å; L247-Y251 PolarHBondContact O-N 2.81Å; L247-M263 HydrophobicContact CB-CE 4.04Å; L247-Y271 HydrophobicContact CD1-CD2 3.8Å; L247-Y271 HydrophobicContact CD1-CE2 3.62Å; L247-Y271 HydrophobicContact CD1-CG 4.31Å; L247-Y271 HydrophobicContact CD2-CD2 3.58Å; L247-Y271 HydrophobicContact CD2-CE2 3.87Å; L247-Y271 HydrophobicContact CD2-CG 4.48Å; L247-Y271 HydrophobicContact CG-CD2 4.24Å; L247-Y271 HydrophobicContact CG-CE2 4.39Å; L247-E276 HydrophobicContact CD2-CB 4.33Å; L247-E276 HydrophobicContact CD2-CG 4.46Å
248	I	96.5	Very high	91.1	Very high	3 Å²	3	67.3 Å²	67.3	2%	0.015	34%	0.338	C	S	.	.	H	α-helix	trans	-58.4	-50.8	174.5	-68.8	161.1	0	0	0	110.3	L223 L226 A244 R250 E252 M263	L223-I248 HydrophobicContact CB-CD1 4.42Å; L223-I248 HydrophobicContact CD1-CD1 3.83Å; L226-I248 HydrophobicContact CD2-CD1 3.97Å; L226-I248 HydrophobicContact CD2-CG1 3.73Å; A244-I248 WeakPolarHBondContact O-CG1 3.36Å; A244-I248 PolarHBondContact O-N 3.43Å; I248-R250 PolarHBondContact O-N 3.09Å; I248-E252 HydrophobicContact CG2-CB 4.32Å; I248-E252 WeakPolarHBondContact O-CB 3.47Å; I248-E252 PolarHBondContact O-N 3.48Å; I248-E252 VanDerWaalsContact O-N 3.11Å; I248-M263 HydrophobicContact CB-CE 4.46Å; I248-M263 HydrophobicContact CG1-CB 4.09Å; I248-M263 HydrophobicContact CG1-CE 3.94Å
249	Q	95.2	Very high	91.8	Very high	126 Å²	126	66.6 Å²	66.6	59%	0.589	33%	0.326	S	S	*	.	H	α-helix	trans	-61.5	-29.4	-178.7	-73.5	177.2	9.9	0	0	113.5	Q245 Q246	Q245-Q249 VanDerWaalsContact O-CG 3.31Å; Q245-Q249 WeakPolarHBondContact O-CG 3.31Å; Q245-Q249 PolarHBondContact O-N 3.27Å; Q246-Q249 PolarHBondContact O-N 2.75Å
250	R	92.8	Very high	92.3	Very high	159 Å²	159	65.2 Å²	65.2	60%	0.6	32%	0.32	S	S	*	.	H	α-helix	trans	-91.3	-38.9	-174.6	-174.9	169.6	-178.9	160.9	-1.6	113.6	Q246 L247 I248 E276	Q246-R250 VanDerWaalsContact O-CB 3.26Å; Q246-R250 WeakPolarHBondContact O-CB 3.46Å; Q246-R250 PolarHBondContact O-N 2.69Å; L247-R250 PolarHBondContact O-N 2.65Å; I248-R250 PolarHBondContact O-N 3.09Å; R250-E276 IonicContact CZ-OE1 2.75Å; R250-E276 IonicContact NE-OE1 3.9Å; R250-E276 IonicContact NH1-OE1 2.68Å; R250-E276 PolarHBondContact NH1-OE1 2.81Å; R250-E276 IonicContact NH2-OE1 3.32Å
251	Y	91.3	Very high	92.7	Very high	22 Å²	22	67.1 Å²	67.1	9%	0.086	33%	0.333	C	S	.	.	H	α-helix	trans	-112.4	-15.5	-167.2	-66.7	-59.9	0	0	0	114.4	L247 P253 G267 M270 Y271 S274 E276	L247-Y251 HydrophobicContact CB-CD2 4.49Å; L247-Y251 HydrophobicContact CD2-CD2 3.87Å; L247-Y251 HydrophobicContact CD2-CE2 3.78Å; L247-Y251 WeakPolarHBondContact O-CB 3.44Å; L247-Y251 PolarHBondContact O-N 2.81Å; Y251-P253 VanDerWaalsContact O-CD 3.25Å; Y251-P253 WeakPolarHBondContact O-CD 3.29Å; Y251-G267 WeakPolarHBondContact O-CA 3.38Å; Y251-M270 HydrophobicContact CD1-CB 4.25Å; Y251-Y271 HydrophobicContact CD2-CD2 4.39Å; Y251-Y271 HydrophobicContact CE2-CD2 4.47Å; Y251-S274 VanDerWaalsContact OH-CB 3.31Å; Y251-S274 WeakPolarHBondContact OH-CB 3.32Å; Y251-S274 PolarHBondContact OH-OG 3.39Å; Y251-E276 PolarHBondContact OH-OE1 3.19Å; Y251-E276 PolarHBondContact OH-OE2 2.98Å
252	E	93.6	Very high	93.1	Very high	14 Å²	14	65.2 Å²	65.2	7%	0.065	32%	0.32	C	S	.	.			trans	-76.3	118.4	178.8	177.2	52.8	-141.6	0	0	111.2	I248 S254 A257 V258 M263 S264	I248-E252 HydrophobicContact CG2-CB 4.32Å; I248-E252 WeakPolarHBondContact O-CB 3.47Å; I248-E252 PolarHBondContact O-N 3.48Å; I248-E252 VanDerWaalsContact O-N 3.11Å; E252-S254 WeakPolarHBondContact OE1-CB 3.06Å; E252-S254 PolarHBondContact OE1-N 3.28Å; E252-A257 HydrophobicContact CG-CB 3.7Å; E252-V258 HydrophobicContact CB-CG2 3.71Å; E252-V258 HydrophobicContact CG-CG2 3.73Å; E252-M263 WeakPolarHBondContact OE2-CA 3.48Å; E252-S264 VanDerWaalsContact CD-OG 3.31Å; E252-S264 PolarHBondContact OE1-OG 2.64Å; E252-S264 WeakPolarHBondContact OE2-CB 3.47Å; E252-S264 PolarHBondContact OE2-N 3.34Å; E252-S264 PolarHBondContact OE2-OG 2.93Å
253	P	84.2	Confident	93.3	Very high	63 Å²	63	59.3 Å²	59.3	41%	0.409	29%	0.292	S	S	.	.			trans	-73.2	-27.3	-179.7	28.5	-35.8	0	0	0	113	Y251 E255 E266	Y251-P253 VanDerWaalsContact O-CD 3.25Å; Y251-P253 WeakPolarHBondContact O-CD 3.29Å; P253-E255 PolarHBondContact O-N 3.39Å; P253-E266 HydrophobicContact CG-CB 4.23Å; P253-E266 HydrophobicContact CG-CG 3.99Å
254	S	87.1	Confident	93.4	Very high	41 Å²	41	58.1 Å²	58.1	29%	0.287	29%	0.289	S	S	.	.			trans	-84.3	111.4	-177.1	-170.3	0	0	0	0	112.2	E252 S256 A257 V258	E252-S254 WeakPolarHBondContact OE1-CB 3.06Å; E252-S254 PolarHBondContact OE1-N 3.28Å; S254-S256 PolarHBondContact O-N 3.34Å; S254-S256 VanDerWaalsContact O-N 3.11Å; S254-S256 PolarHBondContact OG-OG 3.36Å; S254-A257 PolarHBondContact O-N 2.92Å; S254-V258 WeakPolarHBondContact O-CG2 3.42Å; S254-V258 PolarHBondContact O-N 3.12Å
255	E	90	Very high	93.1	Very high	144 Å²	144	60.3 Å²	60.3	67%	0.673	30%	0.301	S	S	*	.	H	α-helix	trans	-56.5	-30.3	176.1	-71.8	-169.8	-170.3	0	0	113.7	P253 K259	P253-E255 PolarHBondContact O-N 3.39Å; E255-K259 VanDerWaalsContact O-CG 3.29Å; E255-K259 WeakPolarHBondContact O-CG 3.17Å; E255-K259 PolarHBondContact O-N 2.82Å; E255-K259 IonicContact OE2-NZ 3.33Å
256	S	92.1	Very high	92.7	Very high	59 Å²	59	60.7 Å²	60.7	41%	0.413	30%	0.302	S	S	.	.	H	α-helix	trans	-70.9	-43.8	175.9	53.1	0	0	0	0	111	S254 V258 K259 E260	S254-S256 PolarHBondContact O-N 3.34Å; S254-S256 VanDerWaalsContact O-N 3.11Å; S254-S256 PolarHBondContact OG-OG 3.36Å; S256-V258 VanDerWaalsContact C-N 3.35Å; S256-V258 PolarHBondContact O-N 2.97Å; S256-K259 PolarHBondContact O-N 3.24Å; S256-E260 WeakPolarHBondContact O-CG 3.33Å; S256-E260 PolarHBondContact O-N 3.23Å
257	A	90.9	Very high	92.5	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63	-39.6	176.4	0	0	0	0	0	112.1	E252 S254 K259 E260 S261 S262	E252-A257 HydrophobicContact CG-CB 3.7Å; S254-A257 PolarHBondContact O-N 2.92Å; A257-K259 PolarHBondContact O-N 3.09Å; A257-E260 CarbonylContact O-C 3.57Å; A257-E260 PolarHBondContact O-N 3.02Å; A257-E260 VanDerWaalsContact O-N 3.17Å; A257-S261 PolarHBondContact O-N 3.03Å; A257-S262 CarbonylContact C-O 3.58Å; A257-S262 WeakPolarHBondContact CA-OG 3.47Å; A257-S262 PolarHBondContact O-N 3.47Å; A257-S262 PolarHBondContact O-OG 2.9Å; A257-S262 VanDerWaalsContact O-OG 3.13Å
258	V	93.2	Very high	92.4	Very high	45 Å²	45	55.9 Å²	55.9	27%	0.273	28%	0.28	S	S	.	.	H	α-helix	trans	-58.3	-47.1	172.7	174.9	0	0	0	0	111.3	E252 S254 S256 E260 S261	E252-V258 HydrophobicContact CB-CG2 3.71Å; E252-V258 HydrophobicContact CG-CG2 3.73Å; S254-V258 WeakPolarHBondContact O-CG2 3.42Å; S254-V258 PolarHBondContact O-N 3.12Å; S256-V258 VanDerWaalsContact C-N 3.35Å; S256-V258 PolarHBondContact O-N 2.97Å; V258-E260 PolarHBondContact O-N 3.05Å; V258-S261 PolarHBondContact O-N 3.12Å
259	K	93.9	Very high	92.1	Very high	158 Å²	158	58.6 Å²	58.6	69%	0.687	29%	0.292	S	S	*	.	H	α-helix	trans	-63.1	-31.7	178.3	-73.5	168.2	-169.5	161.8	0	112.2	E255 S256 A257 S261	E255-K259 VanDerWaalsContact O-CG 3.29Å; E255-K259 WeakPolarHBondContact O-CG 3.17Å; E255-K259 PolarHBondContact O-N 2.82Å; E255-K259 IonicContact OE2-NZ 3.33Å; S256-K259 PolarHBondContact O-N 3.24Å; A257-K259 PolarHBondContact O-N 3.09Å; K259-S261 VanDerWaalsContact C-N 3.27Å
260	E	94.1	Very high	91.7	Very high	127 Å²	127	54.8 Å²	54.8	59%	0.593	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-1.4	176.2	-69.8	167	177.5	0	0	112.9	R220 S256 A257 V258 S262	R220-E260 IonicContact CZ-OE2 3.18Å; R220-E260 IonicContact NH1-OE2 2.75Å; R220-E260 PolarHBondContact NH1-OE2 2.92Å; S256-E260 WeakPolarHBondContact O-CG 3.33Å; S256-E260 PolarHBondContact O-N 3.23Å; A257-E260 CarbonylContact O-C 3.57Å; A257-E260 PolarHBondContact O-N 3.02Å; A257-E260 VanDerWaalsContact O-N 3.17Å; V258-E260 PolarHBondContact O-N 3.05Å; E260-S262 VanDerWaalsContact C-N 3.29Å; E260-S262 PolarHBondContact O-N 3.02Å
261	S	95.6	Very high	91.8	Very high	43 Å²	43	47.2 Å²	47.2	30%	0.301	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	47	-173.7	-55.5	0	0	0	0	112.2	L223 A257 V258 K259	L223-S261 PolarHBondContact N-O 2.81Å; A257-S261 PolarHBondContact O-N 3.03Å; V258-S261 PolarHBondContact O-N 3.12Å; K259-S261 VanDerWaalsContact C-N 3.27Å
262	S	96.3	Very high	91.9	Very high	8 Å²	8	46.2 Å²	46.2	6%	0.056	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	153.5	178.3	63	0	0	0	0	111	R220 L221 A257 E260	R220-S262 PolarHBondContact NH1-OG 3.01Å; L221-S262 CarbonylContact O-C 3.39Å; L221-S262 WeakPolarHBondContact O-CA 3.31Å; L221-S262 WeakPolarHBondContact O-CB 3.36Å; A257-S262 CarbonylContact C-O 3.58Å; A257-S262 WeakPolarHBondContact CA-OG 3.47Å; A257-S262 PolarHBondContact O-N 3.47Å; A257-S262 PolarHBondContact O-OG 2.9Å; A257-S262 VanDerWaalsContact O-OG 3.13Å; E260-S262 VanDerWaalsContact C-N 3.29Å; E260-S262 PolarHBondContact O-N 3.02Å
263	M	96.9	Very high	91.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126.7	178	-173.9	171.5	-79.4	0	0	110	R220 L221 L226 L247 I248 E252 F268	R220-M263 CarbonylContact C-O 3.58Å; R220-M263 WeakPolarHBondContact CA-O 3.15Å; L221-M263 HydrophobicContact CB-CB 4.43Å; L221-M263 PolarHBondContact N-O 3.37Å; L221-M263 PolarHBondContact O-N 2.8Å; L226-M263 HydrophobicContact CD1-SD 4.27Å; L226-M263 HydrophobicContact CD2-CB 4.5Å; L226-M263 HydrophobicContact CD2-CE 3.83Å; L226-M263 HydrophobicContact CD2-SD 4.02Å; L247-M263 HydrophobicContact CB-CE 4.04Å; I248-M263 HydrophobicContact CB-CE 4.46Å; I248-M263 HydrophobicContact CG1-CB 4.09Å; I248-M263 HydrophobicContact CG1-CE 3.94Å; E252-M263 WeakPolarHBondContact OE2-CA 3.48Å; M263-F268 HydrophobicContact CG-CB 4.21Å; M263-F268 VanDerWaalsContact SD-CA 3.56Å; M263-F268 HydrophobicContact SD-CB 3.95Å; M263-F268 HydrophobicContact SD-CD2 4.11Å
264	S	94.9	Very high	91.8	Very high	20 Å²	20	45 Å²	45	14%	0.14	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	167.1	170.8	66.8	0	0	0	0	111.2	E252 E266 G267 F268	E252-S264 VanDerWaalsContact CD-OG 3.31Å; E252-S264 PolarHBondContact OE1-OG 2.64Å; E252-S264 WeakPolarHBondContact OE2-CB 3.47Å; E252-S264 PolarHBondContact OE2-N 3.34Å; E252-S264 PolarHBondContact OE2-OG 2.93Å; S264-E266 PolarHBondContact O-N 3.1Å; S264-G267 PolarHBondContact O-N 3.19Å; S264-G267 PolarHBondContact OG-N 3.06Å; S264-F268 WeakPolarHBondContact O-CB 3.27Å; S264-F268 PolarHBondContact O-N 2.61Å
265	L	91	Very high	91.9	Very high	47 Å²	47	48.3 Å²	48.3	25%	0.246	25%	0.248	C	C	.	.	H	α-helix	trans	-56.5	-37.4	172.4	179.2	66.6	0	0	0	112.2	F211 F268 Q269	F211-L265 HydrophobicContact CB-CD1 3.73Å; F211-L265 HydrophobicContact CD1-CD1 4.15Å; F211-L265 HydrophobicContact CD2-CB 4.4Å; F211-L265 HydrophobicContact CD2-CD1 3.94Å; F211-L265 HydrophobicContact CE1-CB 4.45Å; F211-L265 HydrophobicContact CE2-CB 4.22Å; F211-L265 HydrophobicContact CG-CD1 3.68Å; F211-L265 HydrophobicContact CZ-CB 4.24Å; L265-F268 PolarHBondContact O-N 3.14Å; L265-Q269 WeakPolarHBondContact O-CG 3.31Å; L265-Q269 PolarHBondContact O-N 3.21Å
266	E	85.8	Confident	92	Very high	94 Å²	94	43 Å²	43	44%	0.439	22%	0.223	S	C	.	.	H	α-helix	trans	-65.1	-48.2	178.2	-171.4	173.8	-165.8	0	0	110.6	P253 S264 F268 Q269 M270	P253-E266 HydrophobicContact CG-CB 4.23Å; P253-E266 HydrophobicContact CG-CG 3.99Å; S264-E266 PolarHBondContact O-N 3.1Å; E266-F268 VanDerWaalsContact C-N 3.28Å; E266-F268 PolarHBondContact O-N 3.03Å; E266-Q269 PolarHBondContact O-N 2.9Å; E266-M270 WeakPolarHBondContact O-CG 3.21Å; E266-M270 PolarHBondContact O-N 3.35Å
267	G	90.7	Very high	92.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.5	-36.8	174.6	0	0	0	0	0	113	Y251 S264 M270 Y271	Y251-G267 WeakPolarHBondContact O-CA 3.38Å; S264-G267 PolarHBondContact O-N 3.19Å; S264-G267 PolarHBondContact OG-N 3.06Å; G267-M270 PolarHBondContact O-N 3.21Å; G267-Y271 PolarHBondContact O-N 3.4Å
268	F	95.1	Very high	92.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.4	-41.3	175.5	-174.5	-111.3	0	0	0	112.5	V207 V210 F211 L221 L226 F229 M263 S264 L265 E266 Y271 L272	V207-F268 HydrophobicContact CG1-CD1 4.04Å; V207-F268 HydrophobicContact CG1-CE1 4.07Å; V210-F268 HydrophobicContact CG1-CE1 4.39Å; V210-F268 HydrophobicContact CG1-CZ 4.22Å; F211-F268 HydrophobicContact CB-CD1 4.12Å; F211-F268 HydrophobicContact CB-CE1 4.21Å; F211-F268 HydrophobicContact CD2-CB 3.97Å; F211-F268 AromaticContact CD2-CD1 3.96Å; F211-F268 HydrophobicContact CD2-CD1 3.96Å; F211-F268 AromaticContact CD2-CG 4Å; F211-F268 HydrophobicContact CD2-CG 4Å; F211-F268 HydrophobicContact CE2-CB 4.33Å; L221-F268 HydrophobicContact CD1-CD2 3.9Å; L221-F268 HydrophobicContact CD1-CE2 4.2Å; L221-F268 HydrophobicContact CD1-CG 4.34Å; L226-F268 HydrophobicContact CD1-CD2 4.43Å; L226-F268 HydrophobicContact CD1-CE2 4.47Å; F229-F268 AromaticContact CD1-CE2 3.88Å; F229-F268 HydrophobicContact CD1-CE2 3.88Å; F229-F268 HydrophobicContact CD1-CZ 4.36Å; F229-F268 HydrophobicContact CD2-CZ 4.38Å; F229-F268 AromaticContact CE1-CE2 3.54Å; F229-F268 HydrophobicContact CE1-CE2 3.54Å; F229-F268 AromaticContact CE1-CZ 3.83Å; F229-F268 HydrophobicContact CE1-CZ 3.83Å; F229-F268 HydrophobicContact CE2-CE2 4.32Å; F229-F268 AromaticContact CE2-CZ 3.84Å; F229-F268 HydrophobicContact CE2-CZ 3.84Å; F229-F268 HydrophobicContact CG-CE2 4.39Å; F229-F268 AromaticContact CZ-CE2 3.76Å; F229-F268 HydrophobicContact CZ-CE2 3.76Å; F229-F268 AromaticContact CZ-CZ 3.51Å; F229-F268 HydrophobicContact CZ-CZ 3.51Å; M263-F268 HydrophobicContact CG-CB 4.21Å; M263-F268 VanDerWaalsContact SD-CA 3.56Å; M263-F268 HydrophobicContact SD-CB 3.95Å; M263-F268 HydrophobicContact SD-CD2 4.11Å; S264-F268 WeakPolarHBondContact O-CB 3.27Å; S264-F268 PolarHBondContact O-N 2.61Å; L265-F268 PolarHBondContact O-N 3.14Å; E266-F268 VanDerWaalsContact C-N 3.28Å; E266-F268 PolarHBondContact O-N 3.03Å; F268-Y271 HydrophobicContact CD2-CD1 4.17Å; F268-Y271 HydrophobicContact CE2-CD1 4.28Å; F268-Y271 HydrophobicContact CE2-CE1 4.41Å; F268-Y271 PolarHBondContact O-N 3.24Å; F268-L272 HydrophobicContact CD1-CD1 3.96Å; F268-L272 HydrophobicContact CE1-CD1 3.51Å; F268-L272 HydrophobicContact CE1-CG 4.34Å; F268-L272 HydrophobicContact CZ-CD1 3.86Å; F268-L272 HydrophobicContact CZ-CG 4.34Å; F268-L272 WeakPolarHBondContact O-CG 3.29Å; F268-L272 PolarHBondContact O-N 2.75Å
269	Q	89.3	Confident	92.6	Very high	60 Å²	60	38.5 Å²	38.5	28%	0.28	19%	0.194	S	C	.	.	H	α-helix	trans	-64.9	-41.4	173.7	-75.9	176.5	-25.5	0	0	112	V207 L265 E266 Y271 L272 C273	V207-Q269 HydrophobicContact CG1-CG 3.88Å; L265-Q269 WeakPolarHBondContact O-CG 3.31Å; L265-Q269 PolarHBondContact O-N 3.21Å; E266-Q269 PolarHBondContact O-N 2.9Å; Q269-Y271 VanDerWaalsContact C-N 3.33Å; Q269-Y271 PolarHBondContact O-N 2.84Å; Q269-L272 PolarHBondContact O-N 3.41Å; Q269-C273 WeakPolarHBondContact O-CB 3.31Å; Q269-C273 PolarHBondContact O-N 3Å
270	M	87.2	Confident	92.7	Very high	46 Å²	46	31.4 Å²	31.4	23%	0.227	16%	0.163	C	C	.	.	H	α-helix	trans	-60.1	-44.2	174.7	-72	-177.3	72.4	0	0	111.1	Y251 E266 G267 S274	Y251-M270 HydrophobicContact CD1-CB 4.25Å; E266-M270 WeakPolarHBondContact O-CG 3.21Å; E266-M270 PolarHBondContact O-N 3.35Å; G267-M270 PolarHBondContact O-N 3.21Å; M270-S274 WeakPolarHBondContact O-CB 3.43Å; M270-S274 PolarHBondContact O-N 3.36Å; M270-S274 VanDerWaalsContact O-N 3.1Å
271	Y	93.8	Very high	92.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.2	-52.3	173.5	154.6	-113.9	0	0	0	112	F229 L247 Y251 G267 F268 Q269 C273 S274 E276 G277	F229-Y271 HydrophobicContact CE1-CE1 4.04Å; L247-Y271 HydrophobicContact CD1-CD2 3.8Å; L247-Y271 HydrophobicContact CD1-CE2 3.62Å; L247-Y271 HydrophobicContact CD1-CG 4.31Å; L247-Y271 HydrophobicContact CD2-CD2 3.58Å; L247-Y271 HydrophobicContact CD2-CE2 3.87Å; L247-Y271 HydrophobicContact CD2-CG 4.48Å; L247-Y271 HydrophobicContact CG-CD2 4.24Å; L247-Y271 HydrophobicContact CG-CE2 4.39Å; Y251-Y271 HydrophobicContact CD2-CD2 4.39Å; Y251-Y271 HydrophobicContact CE2-CD2 4.47Å; G267-Y271 PolarHBondContact O-N 3.4Å; F268-Y271 HydrophobicContact CD2-CD1 4.17Å; F268-Y271 HydrophobicContact CE2-CD1 4.28Å; F268-Y271 HydrophobicContact CE2-CE1 4.41Å; F268-Y271 PolarHBondContact O-N 3.24Å; Q269-Y271 VanDerWaalsContact C-N 3.33Å; Q269-Y271 PolarHBondContact O-N 2.84Å; Y271-C273 VanDerWaalsContact C-N 3.28Å; Y271-C273 PolarHBondContact O-N 2.81Å; Y271-S274 VanDerWaalsContact O-CB 3.28Å; Y271-S274 WeakPolarHBondContact O-CB 3.2Å; Y271-S274 PolarHBondContact O-N 3.44Å; Y271-S274 PolarHBondContact O-OG 3.41Å; Y271-E276 HydrophobicContact CD2-CB 4.41Å; Y271-E276 HydrophobicContact CE2-CB 4.2Å; Y271-G277 PolarHBondContact O-N 2.85Å
272	L	93.6	Very high	92.7	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-62.7	-34.6	-177.3	-73	176.6	0	0	0	112.8	V207 F268 Q269 S274 G277 H724 F741	V207-L272 HydrophobicContact CG1-CD1 3.81Å; F268-L272 HydrophobicContact CD1-CD1 3.96Å; F268-L272 HydrophobicContact CE1-CD1 3.51Å; F268-L272 HydrophobicContact CE1-CG 4.34Å; F268-L272 HydrophobicContact CZ-CD1 3.86Å; F268-L272 HydrophobicContact CZ-CG 4.34Å; F268-L272 WeakPolarHBondContact O-CG 3.29Å; F268-L272 PolarHBondContact O-N 2.75Å; Q269-L272 PolarHBondContact O-N 3.41Å; L272-S274 VanDerWaalsContact C-N 3.3Å; L272-G277 CarbonylContact O-C 3.58Å; L272-G277 WeakPolarHBondContact O-CA 3.4Å; L272-H724 PolarHBondContact O-CD2 3.43Å; L272-F741 HydrophobicContact CD1-CE2 4.18Å; L272-F741 HydrophobicContact CD1-CZ 4.23Å
273	C	87.6	Confident	92.5	Very high	37 Å²	37	30 Å²	30	25%	0.25	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-5.6	175.5	-71.9	0	0	0	0	114.1	Q269 Y271 H726	Q269-C273 WeakPolarHBondContact O-CB 3.31Å; Q269-C273 PolarHBondContact O-N 3Å; Y271-C273 VanDerWaalsContact C-N 3.28Å; Y271-C273 PolarHBondContact O-N 2.81Å; C273-H726 PolarHBondContact O-CE1 2.9Å
274	S	89.5	Confident	92.4	Very high	15 Å²	15	31.5 Å²	31.5	11%	0.105	17%	0.174	C	C	.	.	S	Bend	trans	-80.6	177.2	-178.1	76.6	0	0	0	0	113	Y251 M270 Y271 L272 E276 G277 S278	Y251-S274 VanDerWaalsContact OH-CB 3.31Å; Y251-S274 WeakPolarHBondContact OH-CB 3.32Å; Y251-S274 PolarHBondContact OH-OG 3.39Å; M270-S274 WeakPolarHBondContact O-CB 3.43Å; M270-S274 PolarHBondContact O-N 3.36Å; M270-S274 VanDerWaalsContact O-N 3.1Å; Y271-S274 VanDerWaalsContact O-CB 3.28Å; Y271-S274 WeakPolarHBondContact O-CB 3.2Å; Y271-S274 PolarHBondContact O-N 3.44Å; Y271-S274 PolarHBondContact O-OG 3.41Å; L272-S274 VanDerWaalsContact C-N 3.3Å; S274-E276 PolarHBondContact O-N 3.19Å; S274-E276 PolarHBondContact OG-N 3.48Å; S274-E276 PolarHBondContact OG-OE2 3.37Å; S274-G277 CarbonylContact O-C 3.53Å; S274-G277 PolarHBondContact O-N 3.47Å; S274-G277 VanDerWaalsContact O-N 3.17Å; S274-G277 PolarHBondContact OG-N 2.92Å; S274-S278 PolarHBondContact O-N 2.97Å; S274-S278 VanDerWaalsContact O-N 3.12Å
275	Q	88.9	Confident	92.3	Very high	110 Å²	110	33.1 Å²	33.1	51%	0.514	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-35.6	173.6	-168.6	172.5	12.7	0	0	111.9	G277 S278 P282	Q275-G277 VanDerWaalsContact C-N 3.35Å; Q275-S278 WeakPolarHBondContact O-CB 3.5Å; Q275-S278 PolarHBondContact O-N 3.06Å; Q275-P282 HydrophobicContact CG-CB 4.26Å; Q275-P282 HydrophobicContact CG-CG 4.06Å; Q275-P282 WeakPolarHBondContact O-CG 3.45Å
276	E	92.3	Very high	92.5	Very high	32 Å²	32	38 Å²	38	15%	0.15	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-34	176.3	-68.8	82	165	0	0	111.6	L247 R250 Y251 Y271 S274 S278 Q719 R723	L247-E276 HydrophobicContact CD2-CB 4.33Å; L247-E276 HydrophobicContact CD2-CG 4.46Å; R250-E276 IonicContact CZ-OE1 2.75Å; R250-E276 IonicContact NE-OE1 3.9Å; R250-E276 IonicContact NH1-OE1 2.68Å; R250-E276 PolarHBondContact NH1-OE1 2.81Å; R250-E276 IonicContact NH2-OE1 3.32Å; Y251-E276 PolarHBondContact OH-OE1 3.19Å; Y251-E276 PolarHBondContact OH-OE2 2.98Å; Y271-E276 HydrophobicContact CD2-CB 4.41Å; Y271-E276 HydrophobicContact CE2-CB 4.2Å; S274-E276 PolarHBondContact O-N 3.19Å; S274-E276 PolarHBondContact OG-N 3.48Å; S274-E276 PolarHBondContact OG-OE2 3.37Å; E276-S278 VanDerWaalsContact C-N 3.28Å; E276-S278 PolarHBondContact O-N 3.38Å; E276-Q719 PolarHBondContact O-NE2 2.93Å; E276-R723 PolarHBondContact O-NH1 3.24Å
277	G	94.4	Very high	93	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-6	172.5	0	0	0	0	0	114.7	Y271 L272 S274 Q275 R723 H724	Y271-G277 PolarHBondContact O-N 2.85Å; L272-G277 CarbonylContact O-C 3.58Å; L272-G277 WeakPolarHBondContact O-CA 3.4Å; S274-G277 CarbonylContact O-C 3.53Å; S274-G277 PolarHBondContact O-N 3.47Å; S274-G277 VanDerWaalsContact O-N 3.17Å; S274-G277 PolarHBondContact OG-N 2.92Å; Q275-G277 VanDerWaalsContact C-N 3.35Å; G277-R723 VanDerWaalsContact O-CA 3.28Å; G277-R723 WeakPolarHBondContact O-CA 3.34Å; G277-R723 WeakPolarHBondContact O-CD 3.49Å; G277-H724 PolarHBondContact O-N 3.39Å
278	S	95.7	Very high	93.2	Very high	11 Å²	11	41.4 Å²	41.4	8%	0.077	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-68.6	148.4	179.8	-176.7	0	0	0	0	112.4	S274 Q275 E276 F280 Q719 H724	S274-S278 PolarHBondContact O-N 2.97Å; S274-S278 VanDerWaalsContact O-N 3.12Å; Q275-S278 WeakPolarHBondContact O-CB 3.5Å; Q275-S278 PolarHBondContact O-N 3.06Å; E276-S278 VanDerWaalsContact C-N 3.28Å; E276-S278 PolarHBondContact O-N 3.38Å; S278-F280 PolarHBondContact O-N 3.24Å; S278-F280 PolarHBondContact OG-N 3.19Å; S278-Q719 PolarHBondContact O-NE2 2.81Å; S278-H724 CarbonylContact C-O 3.51Å; S278-H724 WeakPolarHBondContact CA-O 3.3Å
279	I	97.8	Very high	93.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-59.4	-28.2	172.5	-167.4	168.9	0	0	0	112.8	F694 F711 L713 I718 Q719 R723 H724 I725 V742 V744	I279-F694 HydrophobicContact CD1-CE1 4.33Å; I279-F694 HydrophobicContact CD1-CE2 3.71Å; I279-F694 HydrophobicContact CD1-CZ 3.46Å; I279-F694 VanDerWaalsContact CD1-CZ 3.46Å; I279-F711 HydrophobicContact CG2-CD1 4.13Å; I279-F711 HydrophobicContact CG2-CE1 3.74Å; I279-F711 HydrophobicContact CG2-CZ 4.45Å; I279-L713 HydrophobicContact CG1-CD1 4.42Å; I279-L713 HydrophobicContact CG2-CD1 4.21Å; I279-I718 HydrophobicContact CG1-CG2 4.31Å; I279-I718 WeakPolarHBondContact O-CA 3.01Å; I279-Q719 PolarHBondContact O-N 3.44Å; I279-R723 HydrophobicContact CB-CB 4.07Å; I279-H724 PolarHBondContact N-O 3.38Å; I279-I725 HydrophobicContact CB-CG1 4.07Å; I279-I725 HydrophobicContact CD1-CD1 3.87Å; I279-I725 HydrophobicContact CD1-CG1 4.03Å; I279-I725 HydrophobicContact CG2-CB 4.41Å; I279-I725 HydrophobicContact CG2-CG1 3.9Å; I279-I725 HydrophobicContact CG2-CG2 4.39Å; I279-V742 HydrophobicContact CD1-CG2 4.42Å; I279-V744 HydrophobicContact CD1-CG2 4.16Å
280	F	97.4	Very high	93.8	Very high	8 Å²	8	43.5 Å²	43.5	4%	0.035	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-84.1	126.7	177.8	-170.5	-76.6	0	0	0	109.8	S278 P282 L284 L285 R586 Q587 F711 L713 C717 Q719	S278-F280 PolarHBondContact O-N 3.24Å; S278-F280 PolarHBondContact OG-N 3.19Å; F280-P282 WeakPolarHBondContact O-CD 3.42Å; F280-L284 HydrophobicContact CE1-CB 4.16Å; F280-L284 HydrophobicContact CZ-CB 4.42Å; F280-L285 HydrophobicContact CD1-CD2 3.86Å; F280-L285 HydrophobicContact CD1-CG 3.97Å; F280-L285 HydrophobicContact CE1-CD2 3.43Å; F280-L285 VanDerWaalsContact CE1-CD2 3.43Å; F280-L285 HydrophobicContact CE1-CG 3.62Å; F280-L285 HydrophobicContact CZ-CD2 4.03Å; F280-R586 HydrophobicContact CE2-CG 4.43Å; F280-Q587 HydrophobicContact CZ-CB 4.05Å; F280-F711 HydrophobicContact CB-CE1 4.42Å; F280-F711 HydrophobicContact CB-CZ 4.09Å; F280-L713 HydrophobicContact CB-CD1 4.19Å; F280-L713 HydrophobicContact CD2-CB 3.85Å; F280-L713 HydrophobicContact CD2-CD1 3.97Å; F280-L713 HydrophobicContact CE2-CB 4.31Å; F280-L713 HydrophobicContact CG-CD1 4.49Å; F280-C717 HydrophobicContact CD2-CB 4.02Å; F280-C717 HydrophobicContact CE2-CB 3.67Å; F280-C717 HydrophobicContact CZ-CB 4.03Å; F280-Q719 PolarHBondContact O-NE2 3.05Å
281	N	95.6	Very high	94.3	Very high	50 Å²	50	41.7 Å²	41.7	27%	0.267	22%	0.224	S	C	.	.			trans	-64.9	114.1	177.7	-175.4	-16.9	0	0	0	111.8	A283 L284 C717 Q719	N281-A283 PolarHBondContact O-N 3.33Å; N281-A283 WeakPolarHBondContact OD1-CB 3.48Å; N281-A283 PolarHBondContact OD1-N 3.41Å; N281-L284 HydrophobicContact CB-CD1 3.99Å; N281-L284 HydrophobicContact CB-CG 4.05Å; N281-L284 PolarHBondContact O-N 3.02Å; N281-C717 PolarHBondContact N-O 3.4Å; N281-Q719 HydrophobicContact CB-CG 3.7Å
282	P	93.1	Very high	94.6	Very high	31 Å²	31	46.6 Å²	46.6	20%	0.201	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-60.7	-30.4	-177.5	-24.8	35.7	0	0	0	113.9	Q275 F280 L284 L285	Q275-P282 HydrophobicContact CG-CB 4.26Å; Q275-P282 HydrophobicContact CG-CG 4.06Å; Q275-P282 WeakPolarHBondContact O-CG 3.45Å; F280-P282 WeakPolarHBondContact O-CD 3.42Å; P282-L284 PolarHBondContact O-N 3.42Å; P282-L284 VanDerWaalsContact O-N 3.14Å; P282-L285 VanDerWaalsContact O-CB 3.31Å; P282-L285 WeakPolarHBondContact O-CB 3.39Å; P282-L285 PolarHBondContact O-N 3.03Å
283	A	91.6	Very high	94.8	Very high	67 Å²	67	49 Å²	49	55%	0.554	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-62.9	-22.1	178.6	0	0	0	0	0	112.7	N281	N281-A283 PolarHBondContact O-N 3.33Å; N281-A283 WeakPolarHBondContact OD1-CB 3.48Å; N281-A283 PolarHBondContact OD1-N 3.41Å
284	L	95.6	Very high	95.3	Very high	33 Å²	33	47.8 Å²	47.8	17%	0.173	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-90.5	-2.1	179	-54	-178.9	0	0	0	113.1	F280 N281 P282 E286 H288 Q587 N588 C717	F280-L284 HydrophobicContact CE1-CB 4.16Å; F280-L284 HydrophobicContact CZ-CB 4.42Å; N281-L284 HydrophobicContact CB-CD1 3.99Å; N281-L284 HydrophobicContact CB-CG 4.05Å; N281-L284 PolarHBondContact O-N 3.02Å; P282-L284 PolarHBondContact O-N 3.42Å; P282-L284 VanDerWaalsContact O-N 3.14Å; L284-E286 VanDerWaalsContact C-N 3.34Å; L284-H288 PolarHBondContact O-CE1 2.89Å; L284-Q587 CarbonylContact O-C 3.57Å; L284-Q587 WeakPolarHBondContact O-CA 3.45Å; L284-N588 PolarHBondContact O-N 2.9Å; L284-C717 HydrophobicContact CD1-CB 4.02Å
285	L	92.4	Very high	95.7	Very high	53 Å²	53	47.2 Å²	47.2	28%	0.277	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-27.2	171.6	-67.3	171	0	0	0	111.8	F280 P282 R586 G589	F280-L285 HydrophobicContact CD1-CD2 3.86Å; F280-L285 HydrophobicContact CD1-CG 3.97Å; F280-L285 HydrophobicContact CE1-CD2 3.43Å; F280-L285 VanDerWaalsContact CE1-CD2 3.43Å; F280-L285 HydrophobicContact CE1-CG 3.62Å; F280-L285 HydrophobicContact CZ-CD2 4.03Å; P282-L285 VanDerWaalsContact O-CB 3.31Å; P282-L285 WeakPolarHBondContact O-CB 3.39Å; P282-L285 PolarHBondContact O-N 3.03Å; L285-R586 HydrophobicContact CD2-CG 4.05Å; L285-G589 WeakPolarHBondContact O-CA 3.35Å; L285-G589 PolarHBondContact O-N 2.76Å
286	E	94.3	Very high	96.2	Very high	150 Å²	150	42 Å²	42	70%	0.701	22%	0.224	S	C	*	.	S	Bend	trans	-80.3	164	173.7	-62.9	-166.3	168.6	0	0	111.7	L284 H288 N588 G589	L284-E286 VanDerWaalsContact C-N 3.34Å; E286-H288 PolarHBondContact O-N 3.23Å; E286-H288 PolarHBondContact O-ND1 3.22Å; E286-N588 CarbonylContact O-C 3.57Å; E286-N588 WeakPolarHBondContact O-CA 3.4Å; E286-G589 PolarHBondContact O-N 2.8Å
287	L	96.5	Very high	96.5	Very high	85 Å²	85	41.1 Å²	41.1	45%	0.445	22%	0.22	S	C	.	.	S	Bend	trans	-67.6	111.9	174.7	-175.1	73	0	0	0	109.4	M291 F376 C591	L287-M291 HydrophobicContact CD1-CG 4.03Å; L287-M291 HydrophobicContact CD1-SD 4.18Å; L287-F376 HydrophobicContact CD1-CE2 3.65Å; L287-F376 HydrophobicContact CD1-CZ 4.05Å; L287-F376 HydrophobicContact CD2-CE2 4.01Å; L287-F376 HydrophobicContact CD2-CZ 3.91Å; L287-C591 HydrophobicContact CD1-CB 4.33Å
288	H	96.4	Very high	96.7	Very high	81 Å²	81	41.1 Å²	41.1	38%	0.375	22%	0.22	S	C	.	.			trans	-134.8	-19.7	-172.5	66	-86.9	0	0	0	114.1	L284 E286 N588	L284-H288 PolarHBondContact O-CE1 2.89Å; E286-H288 PolarHBondContact O-N 3.23Å; E286-H288 PolarHBondContact O-ND1 3.22Å; H288-N588 PolarHBondContact N-OD1 2.84Å
289	Q	97.8	Very high	96.8	Very high	38 Å²	38	40.6 Å²	40.6	18%	0.178	22%	0.217	C	C	.	.	S	Bend	trans	-78.6	154.8	-179.2	-59.6	-177	-11.2	0	0	110.9	M291 Q587 N588 L595	Q289-M291 WeakPolarHBondContact O-CG 3.44Å; Q289-M291 PolarHBondContact O-N 3.28Å; Q289-Q587 VanDerWaalsContact NE2-OE1 3.15Å; Q289-N588 WeakPolarHBondContact CB-OD1 3.49Å; Q289-N588 HydrophobicContact CG-CB 4.19Å; Q289-N588 PolarHBondContact N-OD1 2.84Å; Q289-L595 HydrophobicContact CB-CB 4.36Å
290	D	98.4	Very high	96.9	Very high	65 Å²	65	40.7 Å²	40.7	35%	0.348	22%	0.217	S	C	.	.			trans	-65.3	118	173.8	178.9	15.7	0	0	0	109.8	N292 Q293 Y298 L595	D290-N292 WeakPolarHBondContact OD1-CB 3.43Å; D290-N292 PolarHBondContact OD1-N 3.43Å; D290-N292 PolarHBondContact OD1-ND2 3.06Å; D290-Q293 WeakPolarHBondContact OD2-CG 3.48Å; D290-Q293 PolarHBondContact OD2-NE2 2.96Å; D290-Y298 WeakPolarHBondContact O-CE1 3.31Å; D290-Y298 PolarHBondContact O-OH 3.01Å; D290-L595 HydrophobicContact CB-CD2 4.41Å
291	M	98.6	Very high	97	Very high	8 Å²	8	40.3 Å²	40.3	4%	0.039	22%	0.215	C	C	.	.			trans	-98	6.5	-179.5	-57.5	-52.6	-64.5	0	0	113.4	L287 Q289 Y298 F376 S421 P422 Q423 Y593	L287-M291 HydrophobicContact CD1-CG 4.03Å; L287-M291 HydrophobicContact CD1-SD 4.18Å; Q289-M291 WeakPolarHBondContact O-CG 3.44Å; Q289-M291 PolarHBondContact O-N 3.28Å; M291-Y298 WeakPolarHBondContact CA-OH 3.25Å; M291-Y298 HydrophobicContact CE-CE1 4.11Å; M291-Y298 HydrophobicContact SD-CE1 3.96Å; M291-F376 HydrophobicContact CB-CE1 3.82Å; M291-F376 HydrophobicContact CB-CZ 3.92Å; M291-F376 HydrophobicContact CE-CD1 4Å; M291-F376 HydrophobicContact CE-CD2 4.09Å; M291-F376 HydrophobicContact CE-CE1 3.76Å; M291-F376 HydrophobicContact CE-CE2 3.87Å; M291-F376 HydrophobicContact CE-CG 4.16Å; M291-F376 HydrophobicContact CE-CZ 3.71Å; M291-F376 HydrophobicContact CG-CE1 3.99Å; M291-F376 HydrophobicContact CG-CE2 4.35Å; M291-F376 HydrophobicContact CG-CZ 3.58Å; M291-F376 HydrophobicContact SD-CZ 4.36Å; M291-S421 WeakPolarHBondContact O-CB 3.45Å; M291-P422 HydrophobicContact CE-CB 3.88Å; M291-P422 HydrophobicContact CE-CG 4.21Å; M291-P422 WeakPolarHBondContact O-CD 3.43Å; M291-Q423 HydrophobicContact CB-CB 4.28Å; M291-Q423 WeakPolarHBondContact O-CB 3.09Å; M291-Q423 PolarHBondContact O-N 3.16Å; M291-Y593 HydrophobicContact CE-CG 4.34Å
292	N	98.4	Very high	97.1	Very high	104 Å²	104	37.9 Å²	37.9	56%	0.556	20%	0.202	S	C	*	.			trans	-99.7	4.4	-178.4	-54.4	-81.7	0	0	0	113.8	D290 Y298 S421 Q423	D290-N292 WeakPolarHBondContact OD1-CB 3.43Å; D290-N292 PolarHBondContact OD1-N 3.43Å; D290-N292 PolarHBondContact OD1-ND2 3.06Å; N292-Y298 PolarHBondContact N-OH 3.26Å; N292-S421 WeakPolarHBondContact O-CB 3.42Å; N292-Q423 WeakPolarHBondContact OD1-CG 3.46Å
293	Q	98.4	Very high	97.4	Very high	51 Å²	51	36.5 Å²	36.5	24%	0.238	19%	0.193	C	C	.	.	S	Bend	trans	-77.2	159.1	174.8	-59.1	-68.3	-43.9	0	0	110.2	D290 H297 Y298 S421 P422 L595 R601	D290-Q293 WeakPolarHBondContact OD2-CG 3.48Å; D290-Q293 PolarHBondContact OD2-NE2 2.96Å; Q293-H297 HydrophobicContact CB-CB 3.99Å; Q293-Y298 HydrophobicContact CB-CE2 3.81Å; Q293-Y298 VanDerWaalsContact CB-OH 3.31Å; Q293-Y298 WeakPolarHBondContact CB-OH 3.19Å; Q293-Y298 PolarHBondContact N-OH 3.45Å; Q293-Y298 VanDerWaalsContact O-CE2 3.31Å; Q293-Y298 WeakPolarHBondContact O-CE2 3.4Å; Q293-S421 WeakPolarHBondContact O-CA 3.37Å; Q293-S421 WeakPolarHBondContact O-CB 3.49Å; Q293-P422 WeakPolarHBondContact O-CD 3.4Å; Q293-L595 HydrophobicContact CB-CD1 3.94Å; Q293-L595 HydrophobicContact CG-CD1 3.81Å; Q293-R601 VanDerWaalsContact OE1-NH1 3.08Å
294	P	98.3	Very high	97.6	Very high	12 Å²	12	34.1 Å²	34.1	8%	0.078	17%	0.171	C	C	.	.			trans	-52.3	146.7	173.5	-28.9	33.9	0	0	0	113.6	S296 H297 Y298 M418 L419	P294-S296 PolarHBondContact O-N 3.22Å; P294-H297 VanDerWaalsContact O-CB 3.25Å; P294-H297 WeakPolarHBondContact O-CB 3.38Å; P294-H297 PolarHBondContact O-N 2.89Å; P294-Y298 WeakPolarHBondContact O-CD2 3.4Å; P294-Y298 WeakPolarHBondContact O-CE2 3.4Å; P294-M418 HydrophobicContact CB-CB 4.45Å; P294-M418 HydrophobicContact CG-CB 4.13Å; P294-M418 HydrophobicContact CG-CE 3.36Å; P294-M418 HydrophobicContact CG-SD 4.05Å; P294-L419 VanDerWaalsContact CA-O 3.26Å; P294-L419 WeakPolarHBondContact CA-O 3.47Å; P294-L419 WeakPolarHBondContact CB-O 3.4Å
295	L	98.4	Very high	97.5	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-54.4	-31.5	179.4	-168.6	61.3	0	0	0	113.6	H297 Y298 I300 L419 P420 P422 L425 L430 L539 Y593	L295-H297 PolarHBondContact O-N 2.85Å; L295-Y298 PolarHBondContact O-N 3.49Å; L295-I300 HydrophobicContact CD1-CD1 4.18Å; L295-I300 HydrophobicContact CG-CD1 4.33Å; L295-L419 HydrophobicContact CB-CB 3.93Å; L295-L419 HydrophobicContact CB-CD1 4.2Å; L295-P420 WeakPolarHBondContact CB-O 3.43Å; L295-P420 PolarHBondContact N-O 2.68Å; L295-P420 VanDerWaalsContact N-O 3.07Å; L295-P422 HydrophobicContact CD1-CG 4.06Å; L295-L425 HydrophobicContact CD2-CD1 4.3Å; L295-L430 HydrophobicContact CD2-CD2 4.26Å; L295-L539 HydrophobicContact CD2-CD1 4Å; L295-L539 HydrophobicContact CG-CD1 4.41Å; L295-L539 HydrophobicContact CG-CD2 4.37Å; L295-Y593 HydrophobicContact CD1-CD1 4.42Å; L295-Y593 HydrophobicContact CD1-CE1 3.57Å
296	S	98.3	Very high	97.6	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.007	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-63.9	-15.4	175.2	53.8	0	0	0	0	113.9	P294 N535 A536 Q565 K596	P294-S296 PolarHBondContact O-N 3.22Å; S296-N535 VanDerWaalsContact O-O 3.09Å; S296-A536 WeakPolarHBondContact CB-O 3.45Å; S296-A536 PolarHBondContact OG-O 3.07Å; S296-Q565 PolarHBondContact O-NE2 3Å; S296-K596 WeakPolarHBondContact O-CE 3.44Å; S296-K596 PolarHBondContact O-NZ 3.16Å
297	H	98.8	Very high	97.4	Very high	13 Å²	13	23.4 Å²	23.4	6%	0.06	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-88.5	2.2	-177.4	-68.9	-171.6	0	0	0	113.8	Q293 P294 L295 A536 L595 K596 R601	Q293-H297 HydrophobicContact CB-CB 3.99Å; P294-H297 VanDerWaalsContact O-CB 3.25Å; P294-H297 WeakPolarHBondContact O-CB 3.38Å; P294-H297 PolarHBondContact O-N 2.89Å; L295-H297 PolarHBondContact O-N 2.85Å; H297-A536 PolarHBondContact CD2-O 2.99Å; H297-A536 VanDerWaalsContact CD2-O 3.24Å; H297-A536 PolarHBondContact NE2-O 2.81Å; H297-L595 HydrophobicContact CB-CD1 4.15Å; H297-K596 VanDerWaalsContact O-CB 3.27Å; H297-K596 WeakPolarHBondContact O-CB 3.38Å; H297-K596 VanDerWaalsContact O-CG 3.31Å; H297-K596 WeakPolarHBondContact O-CG 2.93Å; H297-K596 PolarHBondContact O-N 3.15Å; H297-R601 HydrophobicContact CB-CG 3.96Å; H297-R601 PolarHBondContact NE2-O 2.82Å
298	Y	98.9	Very high	96.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	144.7	-179.5	-58.4	-96.9	0	0	0	111.6	D290 M291 N292 Q293 P294 L295 P422 Q565 Y593 V594 L595	D290-Y298 WeakPolarHBondContact O-CE1 3.31Å; D290-Y298 PolarHBondContact O-OH 3.01Å; M291-Y298 WeakPolarHBondContact CA-OH 3.25Å; M291-Y298 HydrophobicContact CE-CE1 4.11Å; M291-Y298 HydrophobicContact SD-CE1 3.96Å; N292-Y298 PolarHBondContact N-OH 3.26Å; Q293-Y298 HydrophobicContact CB-CE2 3.81Å; Q293-Y298 VanDerWaalsContact CB-OH 3.31Å; Q293-Y298 WeakPolarHBondContact CB-OH 3.19Å; Q293-Y298 PolarHBondContact N-OH 3.45Å; Q293-Y298 VanDerWaalsContact O-CE2 3.31Å; Q293-Y298 WeakPolarHBondContact O-CE2 3.4Å; P294-Y298 WeakPolarHBondContact O-CD2 3.4Å; P294-Y298 WeakPolarHBondContact O-CE2 3.4Å; L295-Y298 PolarHBondContact O-N 3.49Å; Y298-P422 HydrophobicContact CD1-CG 4.48Å; Y298-P422 HydrophobicContact CD2-CG 3.69Å; Y298-P422 HydrophobicContact CE1-CG 4.33Å; Y298-P422 HydrophobicContact CE2-CG 3.52Å; Y298-P422 HydrophobicContact CG-CG 4.19Å; Y298-Q565 WeakPolarHBondContact O-CB 3.49Å; Y298-Q565 WeakPolarHBondContact O-CG 3.23Å; Y298-Y593 HydrophobicContact CG-CD1 4.22Å; Y298-V594 CarbonylContact C-O 3.51Å; Y298-V594 VanDerWaalsContact CA-O 3.27Å; Y298-V594 WeakPolarHBondContact CA-O 3.33Å; Y298-L595 HydrophobicContact CD1-CB 4.07Å; Y298-L595 HydrophobicContact CD1-CD1 4.07Å; Y298-L595 HydrophobicContact CE1-CB 3.95Å; Y298-L595 HydrophobicContact CE1-CD1 3.64Å; Y298-L595 HydrophobicContact CE1-CG 4.38Å; Y298-L595 HydrophobicContact CE2-CD1 4.23Å
299	F	98.9	Very high	96	Very high	1 Å²	1	18.4 Å²	18.4	0%	0.004	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	139.2	154.2	-58.3	-54.2	0	0	0	109.1	W560 C564 F585 Y593 V594 K596 M600 L689	F299-W560 HydrophobicContact CD1-CB 4.37Å; F299-W560 AromaticContact CD1-CD1 3.5Å; F299-W560 HydrophobicContact CD1-CG 4.14Å; F299-W560 HydrophobicContact CE1-CB 3.83Å; F299-W560 AromaticContact CE1-CD1 3.81Å; F299-W560 HydrophobicContact CE1-CG 4.09Å; F299-W560 HydrophobicContact CZ-CB 3.96Å; F299-W560 HydrophobicContact CZ-CG 4.48Å; F299-W560 WeakPolarHBondContact CZ-O 3.41Å; F299-C564 WeakPolarHBondContact CD1-O 3.36Å; F299-F585 HydrophobicContact CB-CE1 4.29Å; F299-F585 HydrophobicContact CB-CZ 4.08Å; F299-Y593 WeakPolarHBondContact O-CA 3.46Å; F299-V594 HydrophobicContact CB-CB 4.45Å; F299-V594 HydrophobicContact CD2-CG1 4.46Å; F299-V594 PolarHBondContact N-O 3.49Å; F299-V594 PolarHBondContact O-N 2.86Å; F299-K596 HydrophobicContact CD1-CD 4.14Å; F299-K596 HydrophobicContact CD1-CG 3.96Å; F299-K596 HydrophobicContact CD2-CG 4.06Å; F299-K596 HydrophobicContact CE1-CD 3.74Å; F299-K596 HydrophobicContact CE1-CG 3.75Å; F299-K596 HydrophobicContact CE2-CB 4.49Å; F299-K596 HydrophobicContact CE2-CG 3.86Å; F299-K596 HydrophobicContact CG-CG 4.12Å; F299-K596 HydrophobicContact CZ-CD 4.05Å; F299-K596 HydrophobicContact CZ-CG 3.71Å; F299-M600 HydrophobicContact CZ-SD 4.05Å; F299-L689 HydrophobicContact CE2-CD2 4.29Å; F299-L689 HydrophobicContact CZ-CD2 4.11Å
300	I	98.9	Very high	94.9	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122.4	-172.5	-51.2	178.4	0	0	0	108.8	L295 S302 R331 I379 L539 Q565 I566 Y593	L295-I300 HydrophobicContact CD1-CD1 4.18Å; L295-I300 HydrophobicContact CG-CD1 4.33Å; I300-S302 PolarHBondContact O-N 3.22Å; I300-S302 PolarHBondContact O-OG 3.05Å; I300-R331 HydrophobicContact CG2-CB 3.73Å; I300-I379 HydrophobicContact CD1-CD1 4.24Å; I300-L539 HydrophobicContact CD1-CD2 4.32Å; I300-Q565 HydrophobicContact CD1-CB 4.11Å; I300-Q565 HydrophobicContact CG1-CB 4.16Å; I300-Q565 PolarHBondContact N-O 3.16Å; I300-I566 HydrophobicContact CD1-CG1 4.21Å; I300-Y593 HydrophobicContact CB-CE1 4.31Å; I300-Y593 HydrophobicContact CD1-CD1 4.5Å; I300-Y593 HydrophobicContact CD1-CE1 3.8Å; I300-Y593 HydrophobicContact CG1-CD1 3.9Å; I300-Y593 HydrophobicContact CG1-CE1 3.61Å; I300-Y593 HydrophobicContact CG2-CD1 4.5Å; I300-Y593 HydrophobicContact CG2-CE1 3.91Å
301	S	98.8	Very high	93.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	120.5	177.7	-177.4	0	0	0	0	109.6	C330 R331 C332 F585 G592	S301-C330 PolarHBondContact O-SG 3.25Å; S301-C330 VanDerWaalsContact O-SG 3.38Å; S301-R331 PolarHBondContact O-N 3.33Å; S301-C332 PolarHBondContact O-N 3.01Å; S301-C332 VanDerWaalsContact O-N 3.08Å; S301-F585 VanDerWaalsContact N-CE1 3.29Å; S301-G592 PolarHBondContact N-O 3.03Å
302	S	98.8	Very high	92.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	128.2	-162.2	-61.5	0	0	0	0	112.6	I300 C332 I566 A568 L569 F571	I300-S302 PolarHBondContact O-N 3.22Å; I300-S302 PolarHBondContact O-OG 3.05Å; S302-C332 WeakPolarHBondContact OG-CB 3.49Å; S302-I566 WeakPolarHBondContact OG-CA 3.27Å; S302-I566 WeakPolarHBondContact OG-CG2 3.23Å; S302-A568 WeakPolarHBondContact O-CA 3.41Å; S302-L569 PolarHBondContact O-N 3.13Å; S302-F571 VanDerWaalsContact O-CE2 3.23Å; S302-F571 WeakPolarHBondContact O-CE2 3.13Å
303	S	98.3	Very high	90	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.007	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	139.1	179.1	-178.2	0	0	0	0	111.2	T306 C330 C332 L569	S303-T306 VanDerWaalsContact CB-OG1 3.27Å; S303-T306 WeakPolarHBondContact CB-OG1 3.48Å; S303-T306 PolarHBondContact OG-OG1 3.32Å; S303-C330 PolarHBondContact N-SG 3.42Å; S303-C330 VanDerWaalsContact N-SG 3.44Å; S303-C332 PolarHBondContact N-O 3.42Å; S303-L569 CarbonylContact C-O 3.56Å; S303-L569 WeakPolarHBondContact CA-O 3.41Å
304	H	96.6	Very high	88	Confident	17 Å²	17	26.9 Å²	26.9	8%	0.079	13%	0.125	C	C	.	.	S	Bend	trans	-102.8	140.2	172.3	174.8	-103.8	0	0	0	109.7	T306 E334 P544 A568 L569 N570	H304-T306 PolarHBondContact O-N 3.48Å; H304-T306 VanDerWaalsContact O-N 3.16Å; H304-E334 WeakPolarHBondContact CA-OE2 3.12Å; H304-E334 IonicContact CD2-OE2 3.6Å; H304-E334 PolarHBondContact CD2-OE2 3.02Å; H304-E334 IonicContact CG-OE2 2.68Å; H304-E334 IonicContact NE2-OE2 3.72Å; H304-P544 HydrophobicContact CB-CG 4.28Å; H304-P544 VanDerWaalsContact CG-CD 3.42Å; H304-A568 HydrophobicContact CB-CB 3.91Å; H304-L569 PolarHBondContact N-O 2.81Å; H304-N570 PolarHBondContact ND1-OD1 3.16Å
305	N	94.2	Very high	86.4	Confident	7 Å²	7	26.3 Å²	26.3	4%	0.037	12%	0.121	C	C	.	.	S	Bend	trans	41.5	51.5	-177	-71.8	-8.7	0	0	0	112.3	Y307 L308 Q312 E334	N305-Y307 HydrophobicContact CB-CE1 4.08Å; N305-Y307 PolarHBondContact O-N 2.89Å; N305-Y307 PolarHBondContact OD1-OH 2.82Å; N305-L308 HydrophobicContact CB-CD1 3.97Å; N305-L308 HydrophobicContact CB-CG 4.42Å; N305-L308 PolarHBondContact O-N 2.96Å; N305-Q312 PolarHBondContact ND2-OE1 3.42Å; N305-E334 PolarHBondContact N-OE2 2.91Å; N305-E334 PolarHBondContact OD1-OE2 3.03Å
306	T	94.6	Very high	85.3	Confident	4 Å²	4	30.8 Å²	30.8	3%	0.025	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-25.2	-166.9	-53.5	0	0	0	0	113.7	S303 H304 L308 A321 Y322 A325 V333 E334	S303-T306 VanDerWaalsContact CB-OG1 3.27Å; S303-T306 WeakPolarHBondContact CB-OG1 3.48Å; S303-T306 PolarHBondContact OG-OG1 3.32Å; H304-T306 PolarHBondContact O-N 3.48Å; H304-T306 VanDerWaalsContact O-N 3.16Å; T306-L308 VanDerWaalsContact C-N 3.27Å; T306-L308 PolarHBondContact O-N 2.95Å; T306-A321 WeakPolarHBondContact O-CB 3.16Å; T306-Y322 HydrophobicContact CG2-CD1 3.57Å; T306-Y322 HydrophobicContact CG2-CE1 3.85Å; T306-Y322 HydrophobicContact CG2-CG 3.99Å; T306-A325 HydrophobicContact CG2-CB 4.03Å; T306-V333 HydrophobicContact CG2-CB 4.15Å; T306-V333 HydrophobicContact CG2-CG1 4.01Å; T306-E334 PolarHBondContact OG1-N 2.94Å
307	Y	88.4	Confident	84.6	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.9	178.7	49.6	-85	0	0	0	113.7	N305 S317 S318 D336 V347 H349	N305-Y307 HydrophobicContact CB-CE1 4.08Å; N305-Y307 PolarHBondContact O-N 2.89Å; N305-Y307 PolarHBondContact OD1-OH 2.82Å; Y307-S317 WeakPolarHBondContact CD2-OG 3.44Å; Y307-S317 CarbonylContact O-C 3.54Å; Y307-S317 WeakPolarHBondContact O-CA 3.43Å; Y307-S318 PolarHBondContact O-N 2.88Å; Y307-D336 HydrophobicContact CE1-CB 3.65Å; Y307-D336 WeakPolarHBondContact OH-CB 3.31Å; Y307-D336 PolarHBondContact OH-OD2 2.81Å; Y307-V347 HydrophobicContact CD1-CG1 3.76Å; Y307-V347 HydrophobicContact CD2-CG1 4.5Å; Y307-V347 HydrophobicContact CE1-CG1 4.29Å; Y307-V347 HydrophobicContact CG-CG1 3.9Å; Y307-H349 HydrophobicContact CE2-CB 4.08Å
308	L	84.9	Confident	84	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.01	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-85.2	130.1	-174.4	-64.2	176.1	0	0	0	113.2	N305 T306 Q312 T354	N305-L308 HydrophobicContact CB-CD1 3.97Å; N305-L308 HydrophobicContact CB-CG 4.42Å; N305-L308 PolarHBondContact O-N 2.96Å; T306-L308 VanDerWaalsContact C-N 3.27Å; T306-L308 PolarHBondContact O-N 2.95Å; L308-Q312 VanDerWaalsContact CD1-OE1 3.27Å; L308-T354 HydrophobicContact CD2-CG2 3.74Å
309	L	78.7	Confident	83.6	Confident	60 Å²	60	32.1 Å²	32.1	31%	0.314	15%	0.153	S	C	.	.	S	Bend	trans	-91.1	-14.9	171.2	-69.7	176.1	0	0	0	114.1	L316 A321 Q572	L309-L316 PolarHBondContact N-O 2.9Å; L309-A321 HydrophobicContact CD2-CB 3.64Å; L309-A321 HydrophobicContact CG-CB 4.16Å; L309-Q572 WeakPolarHBondContact O-CB 3.45Å
310	E	76.5	Confident	83	Confident	116 Å²	116	33 Å²	33	54%	0.542	16%	0.157	S	C	.	.	S	Bend	trans	-139.5	-138.3	-174.2	-59.8	-176.8	173.4	0	0	111.6	S551 Q572	E310-S551 PolarHBondContact O-OG 3.03Å; E310-Q572 PolarHBondContact O-NE2 3.07Å
311	D	71.7	Confident	82.6	Confident	54 Å²	54	33.3 Å²	33.3	29%	0.289	16%	0.16	S	C	.	.			trans	-72.5	160.6	-178	73.5	77.1	0	0	0	113.4	L313 R314 G315 S551	D311-L313 VanDerWaalsContact C-N 3.27Å; D311-L313 PolarHBondContact O-N 3.25Å; D311-L313 WeakPolarHBondContact OD1-CA 3.15Å; D311-L313 PolarHBondContact OD1-N 3.2Å; D311-R314 PolarHBondContact OD1-N 3.04Å; D311-G315 VanDerWaalsContact O-CA 3.27Å; D311-G315 WeakPolarHBondContact O-CA 3.39Å; D311-G315 PolarHBondContact O-N 3.02Å; D311-S551 WeakPolarHBondContact CA-OG 3.42Å
312	Q	68.9	Low	82.4	Confident	11 Å²	11	33.3 Å²	33.3	5%	0.051	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-14.2	-175.2	-61.2	-65.6	-43.1	0	0	113.8	N305 L308 H349 T549 S551 N570	N305-Q312 PolarHBondContact ND2-OE1 3.42Å; L308-Q312 VanDerWaalsContact CD1-OE1 3.27Å; Q312-H349 PolarHBondContact O-ND1 3.29Å; Q312-T549 PolarHBondContact N-O 3.46Å; Q312-T549 VanDerWaalsContact N-O 3.08Å; Q312-S551 WeakPolarHBondContact CG-OG 3.33Å; Q312-S551 PolarHBondContact N-OG 3.38Å; Q312-S551 PolarHBondContact NE2-OG 3.48Å; Q312-N570 PolarHBondContact NE2-OD1 2.97Å
313	L	51.3	Low	82.1	Confident	82 Å²	82	33.9 Å²	33.9	43%	0.429	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-33.1	-170.6	-64	177.4	0	0	0	113.4	D311 T352 L353 T549	D311-L313 VanDerWaalsContact C-N 3.27Å; D311-L313 PolarHBondContact O-N 3.25Å; D311-L313 WeakPolarHBondContact OD1-CA 3.15Å; D311-L313 PolarHBondContact OD1-N 3.2Å; L313-T352 HydrophobicContact CD2-CG2 4.31Å; L313-L353 WeakPolarHBondContact O-CB 3.25Å; L313-L353 PolarHBondContact O-N 3.44Å; L313-T549 HydrophobicContact CD1-CG2 4.17Å; L313-T549 HydrophobicContact CD2-CG2 4.32Å; L313-T549 HydrophobicContact CG-CG2 4.31Å
314	R	55.9	Low	81.6	Confident	180 Å²	180	35.6 Å²	35.6	68%	0.679	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-135.7	-3.1	-173.8	-65.8	-177.9	177	167.9	1.1	113.4	D311 L353	D311-R314 PolarHBondContact OD1-N 3.04Å; R314-L353 HydrophobicContact CG-CB 4.34Å; R314-L353 HydrophobicContact CG-CD1 4.46Å
315	G	64.6	Low	81.5	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-58	149.1	-179	0	0	0	0	0	113	D311 S317 T354	D311-G315 VanDerWaalsContact O-CA 3.27Å; D311-G315 WeakPolarHBondContact O-CA 3.39Å; D311-G315 PolarHBondContact O-N 3.02Å; G315-S317 PolarHBondContact O-N 2.98Å; G315-T354 WeakPolarHBondContact O-CA 3.37Å; G315-T354 VanDerWaalsContact O-CB 3.27Å; G315-T354 WeakPolarHBondContact O-CB 3.31Å; G315-T354 WeakPolarHBondContact O-CG2 3.27Å
316	L	75.7	Confident	81.6	Confident	96 Å²	96	34.6 Å²	34.6	50%	0.503	17%	0.166	S	C	.	.	P	Polyproline II helix	trans	-74.5	125.6	174.9	-65.8	171.1	0	0	0	109.5	L309 S355	L309-L316 PolarHBondContact N-O 2.9Å; L316-S355 WeakPolarHBondContact CA-OG 3.02Å
317	S	83.4	Confident	81.5	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-73.8	127.2	162.4	-56.2	0	0	0	0	108.6	Y307 G315 S355 I357	Y307-S317 WeakPolarHBondContact CD2-OG 3.44Å; Y307-S317 CarbonylContact O-C 3.54Å; Y307-S317 WeakPolarHBondContact O-CA 3.43Å; G315-S317 PolarHBondContact O-N 2.98Å; S317-S355 WeakPolarHBondContact CB-O 3.27Å; S317-S355 PolarHBondContact N-OG 3.32Å; S317-S355 PolarHBondContact O-OG 3.39Å; S317-S355 PolarHBondContact OG-O 3.27Å; S317-I357 WeakPolarHBondContact O-CG2 3.48Å
318	S	87.2	Confident	81.7	Confident	9 Å²	9	39.9 Å²	39.9	6%	0.063	19%	0.187	C	C	.	.			trans	-144.9	148.3	-176.6	-172.8	0	0	0	0	113.3	E75 Y307 E320 A321	E75-S318 VanDerWaalsContact OE2-CA 3.29Å; E75-S318 WeakPolarHBondContact OE2-CA 3.23Å; E75-S318 VanDerWaalsContact OE2-CB 3.3Å; E75-S318 WeakPolarHBondContact OE2-CB 3.4Å; E75-S318 PolarHBondContact OE2-OG 3.45Å; Y307-S318 PolarHBondContact O-N 2.88Å; S318-E320 VanDerWaalsContact C-N 3.25Å; S318-E320 PolarHBondContact O-N 2.89Å; S318-E320 PolarHBondContact OG-N 3.45Å; S318-A321 PolarHBondContact O-N 3.44Å
319	L	88.8	Confident	82.2	Confident	33 Å²	33	39.8 Å²	39.8	17%	0.173	19%	0.187	C	C	.	.	H	α-helix	trans	-66.2	-29.2	170.6	-58.4	176.8	0	0	0	112	A321 Y322 I323 I357 D361 I362	L319-A321 PolarHBondContact O-N 3.28Å; L319-Y322 PolarHBondContact O-N 3.07Å; L319-Y322 VanDerWaalsContact O-N 3.17Å; L319-I323 PolarHBondContact O-N 3.45Å; L319-I357 HydrophobicContact CD2-CD1 4.22Å; L319-D361 HydrophobicContact CD1-CB 3.97Å; L319-D361 HydrophobicContact CD2-CB 4.02Å; L319-I362 HydrophobicContact CD2-CB 4.38Å; L319-I362 HydrophobicContact CD2-CG1 3.66Å
320	E	86.5	Confident	83.1	Confident	19 Å²	19	37 Å²	37	9%	0.089	17%	0.173	C	C	.	.	H	α-helix	trans	-63.4	-30.8	-178.8	-168	63.9	-151.6	0	0	111.8	R69 S318 Y322 I323 Q324	R69-E320 IonicContact CZ-OE1 3.12Å; R69-E320 IonicContact CZ-OE2 3.75Å; R69-E320 IonicContact NH1-OE1 2.77Å; R69-E320 IonicContact NH1-OE2 3.03Å; R69-E320 PolarHBondContact NH1-OE2 3.34Å; R69-E320 IonicContact NH2-OE1 3.43Å; R69-E320 PolarHBondContact NH2-OE1 2.9Å; R69-E320 IonicContact NH2-OE2 2.81Å; R69-E320 PolarHBondContact NH2-OE2 2.86Å; S318-E320 VanDerWaalsContact C-N 3.25Å; S318-E320 PolarHBondContact O-N 2.89Å; S318-E320 PolarHBondContact OG-N 3.45Å; E320-Y322 VanDerWaalsContact C-N 3.3Å; E320-Y322 PolarHBondContact O-N 3.45Å; E320-I323 PolarHBondContact O-N 2.86Å; E320-I323 VanDerWaalsContact O-N 3.13Å; E320-Q324 HydrophobicContact CG-CG 4.21Å; E320-Q324 WeakPolarHBondContact O-CB 3.38Å; E320-Q324 WeakPolarHBondContact O-CG 3.42Å; E320-Q324 PolarHBondContact O-N 3.34Å
321	A	90.6	Very high	84.2	Confident	9 Å²	9	31.4 Å²	31.4	7%	0.074	15%	0.147	C	C	.	.	H	α-helix	trans	-63.2	-36.7	178.5	0	0	0	0	0	111.8	T306 L309 S318 L319 A325	T306-A321 WeakPolarHBondContact O-CB 3.16Å; L309-A321 HydrophobicContact CD2-CB 3.64Å; L309-A321 HydrophobicContact CG-CB 4.16Å; S318-A321 PolarHBondContact O-N 3.44Å; L319-A321 PolarHBondContact O-N 3.28Å; A321-A325 WeakPolarHBondContact O-CB 3.4Å; A321-A325 PolarHBondContact O-N 3.2Å
322	Y	94.9	Very high	85.5	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.9	-42.7	171.3	-66.6	-89.3	0	0	0	112.2	T306 L319 E320 A325 L326 V333 E334 V335 I357 I362 L366	T306-Y322 HydrophobicContact CG2-CD1 3.57Å; T306-Y322 HydrophobicContact CG2-CE1 3.85Å; T306-Y322 HydrophobicContact CG2-CG 3.99Å; L319-Y322 PolarHBondContact O-N 3.07Å; L319-Y322 VanDerWaalsContact O-N 3.17Å; E320-Y322 VanDerWaalsContact C-N 3.3Å; E320-Y322 PolarHBondContact O-N 3.45Å; Y322-A325 PolarHBondContact O-N 2.81Å; Y322-L326 WeakPolarHBondContact O-CB 3.31Å; Y322-L326 VanDerWaalsContact O-CG 3.28Å; Y322-L326 WeakPolarHBondContact O-CG 3.38Å; Y322-L326 PolarHBondContact O-N 3.35Å; Y322-V333 HydrophobicContact CD1-CB 4.21Å; Y322-V333 HydrophobicContact CD1-CG2 4.36Å; Y322-V333 HydrophobicContact CE1-CB 4.3Å; Y322-V333 HydrophobicContact CE1-CG2 4.45Å; Y322-E334 PolarHBondContact OH-O 2.77Å; Y322-E334 VanDerWaalsContact OH-O 3.07Å; Y322-V335 HydrophobicContact CE1-CG2 4.03Å; Y322-I357 HydrophobicContact CE2-CD1 4.22Å; Y322-I362 HydrophobicContact CD1-CG2 4.13Å; Y322-I362 HydrophobicContact CD2-CG1 4.43Å; Y322-I362 HydrophobicContact CD2-CG2 4.25Å; Y322-I362 HydrophobicContact CE1-CG2 3.75Å; Y322-I362 HydrophobicContact CE2-CB 4.5Å; Y322-I362 HydrophobicContact CE2-CD1 4.01Å; Y322-I362 HydrophobicContact CE2-CG1 3.83Å; Y322-I362 HydrophobicContact CE2-CG2 3.88Å; Y322-I362 HydrophobicContact CG-CG2 4.36Å; Y322-L366 HydrophobicContact CD1-CD2 4.26Å
323	I	91.8	Very high	86.9	Confident	11 Å²	11	28.4 Å²	28.4	6%	0.056	13%	0.131	C	C	.	.	H	α-helix	trans	-60.3	-49	178	-61.9	173.9	0	0	0	110	L319 E320 L326 K327 T365 Y369	L319-I323 PolarHBondContact O-N 3.45Å; E320-I323 PolarHBondContact O-N 2.86Å; E320-I323 VanDerWaalsContact O-N 3.13Å; I323-L326 PolarHBondContact O-N 3.01Å; I323-K327 HydrophobicContact CG2-CD 4.11Å; I323-K327 HydrophobicContact CG2-CG 4.37Å; I323-K327 WeakPolarHBondContact O-CB 3.46Å; I323-K327 WeakPolarHBondContact O-CG 3.36Å; I323-K327 PolarHBondContact O-N 3.11Å; I323-T365 HydrophobicContact CD1-CG2 4.1Å; I323-T365 HydrophobicContact CG1-CG2 3.48Å; I323-T365 VanDerWaalsContact CG1-CG2 3.48Å; I323-Y369 HydrophobicContact CD1-CD2 4.28Å; I323-Y369 HydrophobicContact CD1-CE2 3.87Å; I323-Y369 HydrophobicContact CG1-CD2 3.88Å; I323-Y369 HydrophobicContact CG1-CE2 4Å; I323-Y369 HydrophobicContact CG1-CG 4.18Å; I323-Y369 HydrophobicContact CG2-CD1 3.87Å; I323-Y369 HydrophobicContact CG2-CE1 3.83Å; I323-Y369 HydrophobicContact CG2-CG 4.32Å
324	Q	89.6	Confident	89.1	Confident	38 Å²	38	24.6 Å²	24.6	18%	0.178	11%	0.111	C	C	.	.	H	α-helix	trans	-62.7	-43.5	179.5	-73.5	-177.7	-11.5	0	0	111.9	E320 R328	E320-Q324 HydrophobicContact CG-CG 4.21Å; E320-Q324 WeakPolarHBondContact O-CB 3.38Å; E320-Q324 WeakPolarHBondContact O-CG 3.42Å; E320-Q324 PolarHBondContact O-N 3.34Å; Q324-R328 WeakPolarHBondContact O-CB 3.35Å; Q324-R328 VanDerWaalsContact O-CG 3.31Å; Q324-R328 WeakPolarHBondContact O-CG 3.46Å; Q324-R328 PolarHBondContact O-N 3.37Å; Q324-R328 VanDerWaalsContact O-N 3.09Å
325	A	94.4	Very high	91.1	Very high	1 Å²	1	16 Å²	16	1%	0.008	8%	0.079	C	C	.	.	H	α-helix	trans	-60.2	-49.8	176.1	0	0	0	0	0	111.4	T306 A321 Y322 K327 R328 C330 F571	T306-A325 HydrophobicContact CG2-CB 4.03Å; A321-A325 WeakPolarHBondContact O-CB 3.4Å; A321-A325 PolarHBondContact O-N 3.2Å; Y322-A325 PolarHBondContact O-N 2.81Å; A325-K327 PolarHBondContact O-N 3.5Å; A325-R328 CarbonylContact O-C 3.45Å; A325-R328 PolarHBondContact O-N 3.18Å; A325-C330 VanDerWaalsContact C-CB 3.47Å; A325-C330 HydrophobicContact CB-CB 3.92Å; A325-C330 WeakPolarHBondContact O-CB 3.15Å; A325-C330 PolarHBondContact O-N 2.84Å; A325-F571 HydrophobicContact CB-CD1 3.98Å; A325-F571 HydrophobicContact CB-CE1 4.39Å
326	L	96.2	Very high	92.5	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.01	8%	0.079	C	C	.	.	H	α-helix	trans	-65.8	-39	-178.9	-68.5	170.7	0	0	0	112.6	Y322 I323 R328 G329 V333 L366 V378	Y322-L326 WeakPolarHBondContact O-CB 3.31Å; Y322-L326 VanDerWaalsContact O-CG 3.28Å; Y322-L326 WeakPolarHBondContact O-CG 3.38Å; Y322-L326 PolarHBondContact O-N 3.35Å; I323-L326 PolarHBondContact O-N 3.01Å; L326-R328 PolarHBondContact O-N 2.88Å; L326-G329 PolarHBondContact O-N 2.89Å; L326-V333 HydrophobicContact CD2-CG1 4.45Å; L326-L366 HydrophobicContact CD1-CD2 3.85Å; L326-V378 HydrophobicContact CD2-CG1 4.36Å; L326-V378 HydrophobicContact CD2-CG2 4.28Å
327	K	92	Very high	93.5	Very high	65 Å²	65	11.6 Å²	11.6	28%	0.283	6%	0.055	S	C	.	.	H	α-helix	trans	-64.6	-27.8	174.8	-81	-172.4	168.5	-164.7	0	113.1	E66 I323 A325 G329	E66-K327 IonicContact OE1-NZ 2.67Å; E66-K327 PolarHBondContact OE1-NZ 2.81Å; I323-K327 HydrophobicContact CG2-CD 4.11Å; I323-K327 HydrophobicContact CG2-CG 4.37Å; I323-K327 WeakPolarHBondContact O-CB 3.46Å; I323-K327 WeakPolarHBondContact O-CG 3.36Å; I323-K327 PolarHBondContact O-N 3.11Å; A325-K327 PolarHBondContact O-N 3.5Å; K327-G329 PolarHBondContact O-N 2.9Å
328	R	91.8	Very high	94	Very high	49 Å²	49	13.6 Å²	13.6	19%	0.185	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	16.4	172.4	-69.9	173.6	55.3	-142.6	-18.5	113.1	Q324 A325 L326 C330 F571 M578 D582	Q324-R328 WeakPolarHBondContact O-CB 3.35Å; Q324-R328 VanDerWaalsContact O-CG 3.31Å; Q324-R328 WeakPolarHBondContact O-CG 3.46Å; Q324-R328 PolarHBondContact O-N 3.37Å; Q324-R328 VanDerWaalsContact O-N 3.09Å; A325-R328 CarbonylContact O-C 3.45Å; A325-R328 PolarHBondContact O-N 3.18Å; L326-R328 PolarHBondContact O-N 2.88Å; R328-C330 VanDerWaalsContact C-N 3.3Å; R328-C330 PolarHBondContact O-N 2.73Å; R328-F571 VanDerWaalsContact NH1-CD1 3.3Å; R328-F571 PolarHBondContact NH1-O 2.92Å; R328-F571 VanDerWaalsContact NH1-O 3.13Å; R328-M578 PolarHBondContact NH2-SD 3.27Å; R328-D582 IonicContact CZ-OD1 2.88Å; R328-D582 IonicContact NE-OD1 3.44Å; R328-D582 IonicContact NH2-OD1 3.49Å; R328-D582 PolarHBondContact NH2-OD1 2.93Å; R328-D582 IonicContact NH2-OD2 2.6Å
329	G	95.6	Very high	94.3	Very high	1 Å²	1	17 Å²	17	1%	0.01	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	9.9	178.2	0	0	0	0	0	114.5	L326 K327 R331 G592	L326-G329 PolarHBondContact O-N 2.89Å; K327-G329 PolarHBondContact O-N 2.9Å; G329-R331 WeakPolarHBondContact O-CG 3.45Å; G329-R331 PolarHBondContact O-N 3.17Å; G329-R331 PolarHBondContact O-NE 2.78Å; G329-G592 WeakPolarHBondContact O-CA 3.42Å
330	C	98.3	Very high	94.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.079	C	C	.	.			trans	-60.5	133.9	176	-172.6	0	0	0	0	111	S301 S303 A325 R328 C332 F571	S301-C330 PolarHBondContact O-SG 3.25Å; S301-C330 VanDerWaalsContact O-SG 3.38Å; S303-C330 PolarHBondContact N-SG 3.42Å; S303-C330 VanDerWaalsContact N-SG 3.44Å; A325-C330 VanDerWaalsContact C-CB 3.47Å; A325-C330 HydrophobicContact CB-CB 3.92Å; A325-C330 WeakPolarHBondContact O-CB 3.15Å; A325-C330 PolarHBondContact O-N 2.84Å; R328-C330 VanDerWaalsContact C-N 3.3Å; R328-C330 PolarHBondContact O-N 2.73Å; C330-C332 PolarHBondContact SG-O 3.42Å; C330-F571 HydrophobicContact CB-CE1 3.69Å; C330-F571 HydrophobicContact CB-CZ 3.9Å
331	R	98.8	Very high	94.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.105	C	C	.	.			trans	-120	-2.6	-175.5	-60.3	-66.2	86.5	-174.7	-1.7	113.4	I300 S301 G329 A370 S374 F376 V378 I379 Y593	I300-R331 HydrophobicContact CG2-CB 3.73Å; S301-R331 PolarHBondContact O-N 3.33Å; G329-R331 WeakPolarHBondContact O-CG 3.45Å; G329-R331 PolarHBondContact O-N 3.17Å; G329-R331 PolarHBondContact O-NE 2.78Å; R331-A370 VanDerWaalsContact CZ-O 3.31Å; R331-A370 PolarHBondContact NH1-O 3.34Å; R331-A370 PolarHBondContact NH2-O 3.41Å; R331-S374 PolarHBondContact NH1-O 3.26Å; R331-F376 PolarHBondContact NH1-O 3.16Å; R331-V378 CarbonylContact O-C 3.49Å; R331-V378 WeakPolarHBondContact O-CA 3.47Å; R331-I379 PolarHBondContact O-N 2.94Å; R331-Y593 HydrophobicContact CB-CD2 4.49Å; R331-Y593 HydrophobicContact CB-CE2 3.73Å; R331-Y593 HydrophobicContact CG-CD2 3.81Å; R331-Y593 HydrophobicContact CG-CE2 3.38Å
332	C	98.8	Very high	94.5	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.007	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	119.4	168.1	-177.1	0	0	0	0	110.1	S301 S302 S303 C330 I379 I566	S301-C332 PolarHBondContact O-N 3.01Å; S301-C332 VanDerWaalsContact O-N 3.08Å; S302-C332 WeakPolarHBondContact OG-CB 3.49Å; S303-C332 PolarHBondContact N-O 3.42Å; C330-C332 PolarHBondContact SG-O 3.42Å; C332-I379 VanDerWaalsContact CA-O 3.32Å; C332-I379 WeakPolarHBondContact CA-O 3.34Å; C332-I379 HydrophobicContact CB-CB 4.19Å; C332-I566 HydrophobicContact CB-CG2 4.08Å
333	V	98.6	Very high	94.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	147.3	179.6	-63.7	0	0	0	0	110.7	T306 Y322 L326 L366 I379 V380 S381	T306-V333 HydrophobicContact CG2-CB 4.15Å; T306-V333 HydrophobicContact CG2-CG1 4.01Å; Y322-V333 HydrophobicContact CD1-CB 4.21Å; Y322-V333 HydrophobicContact CD1-CG2 4.36Å; Y322-V333 HydrophobicContact CE1-CB 4.3Å; Y322-V333 HydrophobicContact CE1-CG2 4.45Å; L326-V333 HydrophobicContact CD2-CG1 4.45Å; V333-L366 HydrophobicContact CG2-CD2 4.05Å; V333-I379 PolarHBondContact N-O 2.87Å; V333-V380 HydrophobicContact CG2-CG2 4.32Å; V333-S381 PolarHBondContact O-N 2.85Å
334	E	98.2	Very high	94.4	Very high	3 Å²	3	30.9 Å²	30.9	1%	0.014	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	140.8	-179.2	-178.2	157.5	-123.9	0	0	111.8	H304 N305 T306 Y322 S381 R541	H304-E334 WeakPolarHBondContact CA-OE2 3.12Å; H304-E334 IonicContact CD2-OE2 3.6Å; H304-E334 PolarHBondContact CD2-OE2 3.02Å; H304-E334 IonicContact CG-OE2 2.68Å; H304-E334 IonicContact NE2-OE2 3.72Å; N305-E334 PolarHBondContact N-OE2 2.91Å; N305-E334 PolarHBondContact OD1-OE2 3.03Å; T306-E334 PolarHBondContact OG1-N 2.94Å; Y322-E334 PolarHBondContact OH-O 2.77Å; Y322-E334 VanDerWaalsContact OH-O 3.07Å; E334-S381 WeakPolarHBondContact CA-O 3.46Å; E334-R541 IonicContact OE1-CZ 3.33Å; E334-R541 VanDerWaalsContact OE1-CZ 3.32Å; E334-R541 IonicContact OE1-NH1 2.83Å; E334-R541 PolarHBondContact OE1-NH1 2.91Å; E334-R541 IonicContact OE1-NH2 3.75Å; E334-R541 PolarHBondContact OE1-NH2 3.19Å; E334-R541 IonicContact OE2-CZ 3.41Å; E334-R541 IonicContact OE2-NH2 3.88Å; E334-R541 PolarHBondContact OE2-NH2 3.08Å
335	V	96.9	Very high	94.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	107.2	179.5	-168.6	0	0	0	0	108.3	Y322 V347 F359 I362 V380 S381 L382 E383	Y322-V335 HydrophobicContact CE1-CG2 4.03Å; V335-V347 HydrophobicContact CG1-CB 4.47Å; V335-V347 HydrophobicContact CG1-CG1 4.15Å; V335-V347 HydrophobicContact CG1-CG2 3.5Å; V335-V347 VanDerWaalsContact CG1-CG2 3.5Å; V335-F359 HydrophobicContact CG1-CD2 3.89Å; V335-F359 HydrophobicContact CG1-CE2 4Å; V335-I362 HydrophobicContact CG1-CD1 4.15Å; V335-I362 HydrophobicContact CG2-CG2 4.3Å; V335-V380 HydrophobicContact CG2-CG1 3.81Å; V335-S381 PolarHBondContact N-O 2.88Å; V335-L382 HydrophobicContact CB-CD2 3.92Å; V335-L382 HydrophobicContact CG1-CD2 4.43Å; V335-L382 HydrophobicContact CG2-CD2 4.48Å; V335-E383 PolarHBondContact O-N 2.87Å
336	D	95.2	Very high	94.8	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.011	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	99.5	179.6	-175.7	2.5	0	0	0	110.2	Y307 W338 V347 Y348 E383 H385	Y307-D336 HydrophobicContact CE1-CB 3.65Å; Y307-D336 WeakPolarHBondContact OH-CB 3.31Å; Y307-D336 PolarHBondContact OH-OD2 2.81Å; D336-W338 VanDerWaalsContact CG-NE1 3.33Å; D336-W338 PolarHBondContact OD1-NE1 2.55Å; D336-W338 PolarHBondContact OD2-NE1 3.45Å; D336-V347 WeakPolarHBondContact O-CA 3.46Å; D336-V347 WeakPolarHBondContact O-CG1 3.34Å; D336-Y348 PolarHBondContact O-N 3.17Å; D336-E383 HydrophobicContact CB-CB 4.49Å; D336-H385 IonicContact OD1-CD2 3.97Å; D336-H385 PolarHBondContact OD1-CD2 3.08Å; D336-H385 IonicContact OD1-NE2 3.48Å; D336-H385 PolarHBondContact OD1-NE2 3.03Å
337	C	95.7	Very high	94.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	129.8	-168.4	-61.5	0	0	0	0	112.5	I346 F359 E383 H385 M394	C337-I346 WeakPolarHBondContact CA-O 3.41Å; C337-F359 VanDerWaalsContact SG-CD2 3.5Å; C337-E383 PolarHBondContact N-O 3.27Å; C337-H385 WeakPolarHBondContact O-CA 3.41Å; C337-H385 WeakPolarHBondContact O-CB 3.44Å; C337-H385 PolarHBondContact O-N 2.88Å; C337-M394 HydrophobicContact CB-CE 3.69Å; C337-M394 HydrophobicContact CB-SD 4Å; C337-M394 WeakPolarHBondContact SG-CE 3.28Å
338	W	94.6	Very high	94.4	Very high	42 Å²	42	28.2 Å²	28.2	16%	0.159	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	155.5	179	-67.2	80.2	0	0	0	111.2	D336 G340 I346 Y348 H351 H385 C386	D336-W338 VanDerWaalsContact CG-NE1 3.33Å; D336-W338 PolarHBondContact OD1-NE1 2.55Å; D336-W338 PolarHBondContact OD2-NE1 3.45Å; W338-G340 PolarHBondContact O-N 2.99Å; W338-I346 HydrophobicContact CB-CD1 4.49Å; W338-I346 HydrophobicContact CB-CG1 4.11Å; W338-I346 PolarHBondContact N-O 3.18Å; W338-I346 VanDerWaalsContact O-CG1 3.29Å; W338-I346 WeakPolarHBondContact O-CG1 3.34Å; W338-I346 PolarHBondContact O-N 2.95Å; W338-Y348 HydrophobicContact CB-CD1 4.16Å; W338-Y348 HydrophobicContact CB-CE1 3.51Å; W338-Y348 AromaticContact CD1-CD1 3.87Å; W338-Y348 AromaticContact CD1-CE1 3.69Å; W338-Y348 HydrophobicContact CD2-CE1 4.08Å; W338-Y348 HydrophobicContact CG-CD1 4.05Å; W338-Y348 AromaticContact CG-CE1 3.44Å; W338-Y348 HydrophobicContact CG-CE1 3.44Å; W338-Y348 VanDerWaalsContact CG-CE1 3.44Å; W338-Y348 AromaticContact CG-CZ 3.99Å; W338-H351 AromaticContact CH2-CD2 3.99Å; W338-H351 AromaticContact CH2-NE2 3.75Å; W338-H385 HydrophobicContact CD2-CB 3.7Å; W338-H385 AromaticContact CE2-CD2 3.35Å; W338-H385 AromaticContact CE2-CG 3.66Å; W338-H385 HydrophobicContact CE3-CB 3.66Å; W338-H385 HydrophobicContact CG-CB 4.3Å; W338-H385 HydrophobicContact CH2-CB 3.97Å; W338-H385 AromaticContact CH2-CG 3.68Å; W338-H385 AromaticContact CH2-ND1 3.86Å; W338-H385 HydrophobicContact CZ2-CB 3.99Å; W338-H385 AromaticContact CZ2-CD2 3.3Å; W338-H385 WeakPolarHBondContact CZ2-CD2 3.29Å; W338-H385 AromaticContact CZ2-CE1 3.95Å; W338-H385 AromaticContact CZ2-CG 3.45Å; W338-H385 VanDerWaalsContact CZ2-CG 3.45Å; W338-H385 AromaticContact CZ2-ND1 3.88Å; W338-H385 AromaticContact CZ2-NE2 3.61Å; W338-H385 HydrophobicContact CZ3-CB 3.81Å; W338-H385 AromaticContact NE1-CD2 3.52Å; W338-C386 PolarHBondContact O-SG 3.28Å
339	D	93.9	Very high	94	Very high	80 Å²	80	28.3 Å²	28.3	43%	0.428	16%	0.161	S	C	.	.			trans	-62.6	125.5	174.6	-75.8	-23.2	0	0	0	111.1	C386 G387 Q390	D339-C386 WeakPolarHBondContact OD1-CA 3.11Å; D339-C386 WeakPolarHBondContact OD1-CB 3.29Å; D339-G387 VanDerWaalsContact CG-N 3.33Å; D339-G387 PolarHBondContact OD1-N 2.79Å; D339-G387 PolarHBondContact OD2-N 3.24Å; D339-Q390 VanDerWaalsContact OD1-CB 3.3Å; D339-Q390 WeakPolarHBondContact OD1-CB 3.18Å; D339-Q390 VanDerWaalsContact OD1-CD 3.32Å; D339-Q390 WeakPolarHBondContact OD1-CG 3.49Å
340	G	91.9	Very high	93	Very high	15 Å²	15	28.8 Å²	28.8	16%	0.155	17%	0.165	C	C	.	.			trans	-103.5	176.2	175	0	0	0	0	0	113.4	W338 E344 Q390	W338-G340 PolarHBondContact O-N 2.99Å; G340-E344 WeakPolarHBondContact CA-O 3.31Å; G340-E344 PolarHBondContact N-O 3.2Å; G340-Q390 PolarHBondContact O-NE2 2.98Å
341	S	88.9	Confident	91.9	Very high	90 Å²	90	37 Å²	37	63%	0.629	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-69.8	159.4	172.8	57.6	0	0	0	0	111.1	G343 E344	S341-G343 PolarHBondContact O-N 3.27Å; S341-E344 PolarHBondContact O-N 2.77Å; S341-E344 VanDerWaalsContact O-N 3.17Å
342	D	88.8	Confident	90.6	Very high	161 Å²	161	38.6 Å²	38.6	86%	0.861	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	59.7	18	175.2	-49.4	-55	0	0	0	114.9	E344	D342-E344 VanDerWaalsContact C-N 3.29Å; D342-E344 PolarHBondContact O-N 3.2Å
343	G	90.1	Very high	89.1	Confident	34 Å²	34	44.9 Å²	44.9	35%	0.351	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	77.3	9.9	179.9	0	0	0	0	0	114.7	S341	S341-G343 PolarHBondContact O-N 3.27Å
344	E	95.1	Very high	87.8	Confident	65 Å²	65	45.3 Å²	45.3	30%	0.304	25%	0.249	S	C	.	.			trans	-97.5	123.8	178	-76.5	-66.2	158.3	0	0	111.4	G340 S341 D342 L358 Q390 H397	G340-E344 WeakPolarHBondContact CA-O 3.31Å; G340-E344 PolarHBondContact N-O 3.2Å; S341-E344 PolarHBondContact O-N 2.77Å; S341-E344 VanDerWaalsContact O-N 3.17Å; D342-E344 VanDerWaalsContact C-N 3.29Å; D342-E344 PolarHBondContact O-N 3.2Å; E344-L358 HydrophobicContact CB-CD2 4.32Å; E344-Q390 PolarHBondContact O-OE1 2.49Å; E344-H397 IonicContact OE1-CE1 3.43Å; E344-H397 IonicContact OE1-NE2 3.51Å; E344-H397 IonicContact OE2-CD2 2.81Å; E344-H397 IonicContact OE2-CE1 2.64Å; E344-H397 IonicContact OE2-NE2 2.69Å; E344-H397 PolarHBondContact OE2-NE2 3.21Å
345	P	96.2	Very high	86.9	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.261	C	S	.	.			trans	-65	141	178.2	-13.3	23.1	0	0	0	112.3	F359 Q390 V393 M394	P345-F359 HydrophobicContact CB-CB 3.86Å; P345-F359 HydrophobicContact CB-CG 4.4Å; P345-F359 WeakPolarHBondContact O-CB 3.48Å; P345-F359 PolarHBondContact O-N 2.77Å; P345-Q390 VanDerWaalsContact CA-OE1 3.3Å; P345-Q390 HydrophobicContact CG-CB 4.21Å; P345-V393 HydrophobicContact CG-CB 4.3Å; P345-V393 HydrophobicContact CG-CG1 4.18Å; P345-M394 HydrophobicContact CB-CG 3.82Å; P345-M394 HydrophobicContact CB-SD 4.45Å; P345-M394 HydrophobicContact CG-CG 3.49Å; P345-M394 VanDerWaalsContact CG-CG 3.49Å
346	I	95.1	Very high	86.4	Confident	18 Å²	18	53 Å²	53	9%	0.092	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	162.2	178.5	54.9	166.4	0	0	0	111.1	C337 W338 Y348 K356 I357 L358	C337-I346 WeakPolarHBondContact CA-O 3.41Å; W338-I346 HydrophobicContact CB-CD1 4.49Å; W338-I346 HydrophobicContact CB-CG1 4.11Å; W338-I346 PolarHBondContact N-O 3.18Å; W338-I346 VanDerWaalsContact O-CG1 3.29Å; W338-I346 WeakPolarHBondContact O-CG1 3.34Å; W338-I346 PolarHBondContact O-N 2.95Å; I346-Y348 HydrophobicContact CD1-CD1 3.93Å; I346-Y348 HydrophobicContact CD1-CE1 3.74Å; I346-Y348 HydrophobicContact CG1-CD1 4.37Å; I346-Y348 HydrophobicContact CG1-CE1 4.37Å; I346-K356 HydrophobicContact CD1-CD 3.61Å; I346-K356 HydrophobicContact CD1-CG 4.15Å; I346-I357 CarbonylContact C-O 3.53Å; I346-I357 WeakPolarHBondContact CA-O 3.18Å; I346-L358 HydrophobicContact CG2-CD2 4.14Å
347	V	92.3	Very high	86.2	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	128.1	178.2	174.3	0	0	0	0	110.2	Y307 V335 D336 I357 F359 I362	Y307-V347 HydrophobicContact CD1-CG1 3.76Å; Y307-V347 HydrophobicContact CD2-CG1 4.5Å; Y307-V347 HydrophobicContact CE1-CG1 4.29Å; Y307-V347 HydrophobicContact CG-CG1 3.9Å; V335-V347 HydrophobicContact CG1-CB 4.47Å; V335-V347 HydrophobicContact CG1-CG1 4.15Å; V335-V347 HydrophobicContact CG1-CG2 3.5Å; V335-V347 VanDerWaalsContact CG1-CG2 3.5Å; D336-V347 WeakPolarHBondContact O-CA 3.46Å; D336-V347 WeakPolarHBondContact O-CG1 3.34Å; V347-I357 HydrophobicContact CB-CG1 4.11Å; V347-I357 HydrophobicContact CG1-CG1 4.49Å; V347-I357 PolarHBondContact N-O 3.24Å; V347-I357 PolarHBondContact O-N 2.92Å; V347-I357 VanDerWaalsContact O-N 3.09Å; V347-F359 HydrophobicContact CG2-CB 4.32Å; V347-F359 HydrophobicContact CG2-CD2 4.23Å; V347-I362 HydrophobicContact CB-CD1 3.54Å; V347-I362 HydrophobicContact CG1-CD1 3.75Å; V347-I362 HydrophobicContact CG2-CD1 3.49Å; V347-I362 VanDerWaalsContact CG2-CD1 3.49Å
348	Y	87.4	Confident	86.1	Confident	31 Å²	31	56.6 Å²	56.6	12%	0.122	31%	0.306	C	S	.	.	S	Bend	trans	-170.1	171.8	176.1	73.5	-75	0	0	0	109.2	D336 W338 I346 G350 S355 K356	D336-Y348 PolarHBondContact O-N 3.17Å; W338-Y348 HydrophobicContact CB-CD1 4.16Å; W338-Y348 HydrophobicContact CB-CE1 3.51Å; W338-Y348 AromaticContact CD1-CD1 3.87Å; W338-Y348 AromaticContact CD1-CE1 3.69Å; W338-Y348 HydrophobicContact CD2-CE1 4.08Å; W338-Y348 HydrophobicContact CG-CD1 4.05Å; W338-Y348 AromaticContact CG-CE1 3.44Å; W338-Y348 HydrophobicContact CG-CE1 3.44Å; W338-Y348 VanDerWaalsContact CG-CE1 3.44Å; W338-Y348 AromaticContact CG-CZ 3.99Å; I346-Y348 HydrophobicContact CD1-CD1 3.93Å; I346-Y348 HydrophobicContact CD1-CE1 3.74Å; I346-Y348 HydrophobicContact CG1-CD1 4.37Å; I346-Y348 HydrophobicContact CG1-CE1 4.37Å; Y348-G350 PolarHBondContact O-N 3.31Å; Y348-S355 VanDerWaalsContact CB-O 3.3Å; Y348-S355 WeakPolarHBondContact CB-O 3.41Å; Y348-K356 HydrophobicContact CD1-CD 4.39Å; Y348-K356 HydrophobicContact CD1-CG 3.89Å; Y348-K356 HydrophobicContact CG-CG 3.88Å
349	H	83.4	Confident	86.2	Confident	52 Å²	52	54.6 Å²	54.6	24%	0.241	30%	0.299	C	S	.	.			trans	-81.3	111.8	173.4	-175	-160	0	0	0	110.3	Y307 Q312 T352 T354	Y307-H349 HydrophobicContact CE2-CB 4.08Å; Q312-H349 PolarHBondContact O-ND1 3.29Å; H349-T352 HydrophobicContact CB-CG2 4.31Å; H349-T352 WeakPolarHBondContact ND1-CG2 3.35Å; H349-T352 WeakPolarHBondContact O-CB 3.47Å; H349-T352 PolarHBondContact O-N 3.39Å; H349-T352 PolarHBondContact O-OG1 3Å; H349-T354 HydrophobicContact CB-CG2 4.15Å; H349-T354 PolarHBondContact N-OG1 2.84Å
350	G	74	Confident	86.4	Confident	10 Å²	10	57 Å²	57	10%	0.103	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.6	139.7	-176.6	0	0	0	0	0	114.8	Y348 T352	Y348-G350 PolarHBondContact O-N 3.31Å; G350-T352 WeakPolarHBondContact O-CG2 3.39Å; G350-T352 PolarHBondContact O-N 3.37Å
351	H	75.1	Confident	86.5	Confident	173 Å²	173	59.1 Å²	59.1	80%	0.801	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	14.6	177.7	-54.1	-74.8	0	0	0	116.6	W338	W338-H351 AromaticContact CH2-CD2 3.99Å; W338-H351 AromaticContact CH2-NE2 3.75Å
352	T	72	Confident	86.8	Confident	33 Å²	33	54.8 Å²	54.8	20%	0.202	28%	0.279	C	S	.	.	S	Bend	trans	-108.9	-177.7	174.9	75	0	0	0	0	112.8	L313 H349 G350 T354	L313-T352 HydrophobicContact CD2-CG2 4.31Å; H349-T352 HydrophobicContact CB-CG2 4.31Å; H349-T352 WeakPolarHBondContact ND1-CG2 3.35Å; H349-T352 WeakPolarHBondContact O-CB 3.47Å; H349-T352 PolarHBondContact O-N 3.39Å; H349-T352 PolarHBondContact O-OG1 3Å; G350-T352 WeakPolarHBondContact O-CG2 3.39Å; G350-T352 PolarHBondContact O-N 3.37Å; T352-T354 VanDerWaalsContact OG1-CG2 3.32Å; T352-T354 WeakPolarHBondContact OG1-CG2 3.28Å; T352-T354 PolarHBondContact OG1-N 3.23Å; T352-T354 PolarHBondContact OG1-OG1 2.86Å
353	L	67.9	Low	87.3	Confident	133 Å²	133	47.1 Å²	47.1	70%	0.696	24%	0.238	S	C	*	.	S	Bend	trans	-96.5	13.4	179.5	-62.9	173.2	0	0	0	112.9	L313 R314	L313-L353 WeakPolarHBondContact O-CB 3.25Å; L313-L353 PolarHBondContact O-N 3.44Å; R314-L353 HydrophobicContact CG-CB 4.34Å; R314-L353 HydrophobicContact CG-CD1 4.46Å
354	T	71	Confident	87.6	Confident	9 Å²	9	47.6 Å²	47.6	6%	0.055	24%	0.236	C	C	.	.			trans	-64.5	150.5	178.6	59.7	0	0	0	0	111.4	L308 G315 H349 T352	L308-T354 HydrophobicContact CD2-CG2 3.74Å; G315-T354 WeakPolarHBondContact O-CA 3.37Å; G315-T354 VanDerWaalsContact O-CB 3.27Å; G315-T354 WeakPolarHBondContact O-CB 3.31Å; G315-T354 WeakPolarHBondContact O-CG2 3.27Å; H349-T354 HydrophobicContact CB-CG2 4.15Å; H349-T354 PolarHBondContact N-OG1 2.84Å; T352-T354 VanDerWaalsContact OG1-CG2 3.32Å; T352-T354 WeakPolarHBondContact OG1-CG2 3.28Å; T352-T354 PolarHBondContact OG1-N 3.23Å; T352-T354 PolarHBondContact OG1-OG1 2.86Å
355	S	80.3	Confident	87.6	Confident	40 Å²	40	45.1 Å²	45.1	28%	0.28	23%	0.226	S	C	.	.			trans	-65.4	164.1	173.4	58.4	0	0	0	0	111.7	L316 S317 Y348	L316-S355 WeakPolarHBondContact CA-OG 3.02Å; S317-S355 WeakPolarHBondContact CB-O 3.27Å; S317-S355 PolarHBondContact N-OG 3.32Å; S317-S355 PolarHBondContact O-OG 3.39Å; S317-S355 PolarHBondContact OG-O 3.27Å; Y348-S355 VanDerWaalsContact CB-O 3.3Å; Y348-S355 WeakPolarHBondContact CB-O 3.41Å
356	K	86.5	Confident	87.7	Confident	124 Å²	124	45.2 Å²	45.2	54%	0.539	23%	0.226	S	C	.	.			trans	-115.1	135.5	-177.9	-65.9	170	169.8	-163.9	0	109.6	I346 Y348	I346-K356 HydrophobicContact CD1-CD 3.61Å; I346-K356 HydrophobicContact CD1-CG 4.15Å; Y348-K356 HydrophobicContact CD1-CD 4.39Å; Y348-K356 HydrophobicContact CD1-CG 3.89Å; Y348-K356 HydrophobicContact CG-CG 3.88Å
357	I	90.6	Very high	87.8	Confident	11 Å²	11	49.4 Å²	49.4	6%	0.056	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	154	173.6	55.5	177.1	0	0	0	109.6	S317 L319 Y322 I346 V347 I362	S317-I357 WeakPolarHBondContact O-CG2 3.48Å; L319-I357 HydrophobicContact CD2-CD1 4.22Å; Y322-I357 HydrophobicContact CE2-CD1 4.22Å; I346-I357 CarbonylContact C-O 3.53Å; I346-I357 WeakPolarHBondContact CA-O 3.18Å; V347-I357 HydrophobicContact CB-CG1 4.11Å; V347-I357 HydrophobicContact CG1-CG1 4.49Å; V347-I357 PolarHBondContact N-O 3.24Å; V347-I357 PolarHBondContact O-N 2.92Å; V347-I357 VanDerWaalsContact O-N 3.09Å; I357-I362 HydrophobicContact CD1-CD1 3.64Å; I357-I362 HydrophobicContact CD1-CG1 3.78Å; I357-I362 HydrophobicContact CG1-CD1 3.89Å; I357-I362 HydrophobicContact CG1-CG1 4.32Å
358	L	94	Very high	88	Confident	68 Å²	68	54.6 Å²	54.6	36%	0.356	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	137.9	-179	-66.9	171.6	0	0	0	110.7	E344 I346 R360 D361 I362	E344-L358 HydrophobicContact CB-CD2 4.32Å; I346-L358 HydrophobicContact CG2-CD2 4.14Å; L358-R360 VanDerWaalsContact C-N 3.26Å; L358-R360 PolarHBondContact O-N 2.95Å; L358-D361 HydrophobicContact CB-CB 4.36Å; L358-D361 PolarHBondContact O-N 3.12Å; L358-I362 PolarHBondContact O-N 3.31Å
359	F	96.8	Very high	88.4	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-57	-42.8	174.4	177.4	-99.4	0	0	0	111.6	V335 C337 P345 V347 D361 I362 I363 L382 M394 H397 L398	V335-F359 HydrophobicContact CG1-CD2 3.89Å; V335-F359 HydrophobicContact CG1-CE2 4Å; C337-F359 VanDerWaalsContact SG-CD2 3.5Å; P345-F359 HydrophobicContact CB-CB 3.86Å; P345-F359 HydrophobicContact CB-CG 4.4Å; P345-F359 WeakPolarHBondContact O-CB 3.48Å; P345-F359 PolarHBondContact O-N 2.77Å; V347-F359 HydrophobicContact CG2-CB 4.32Å; V347-F359 HydrophobicContact CG2-CD2 4.23Å; F359-D361 VanDerWaalsContact C-N 3.26Å; F359-D361 PolarHBondContact O-N 2.79Å; F359-I362 WeakPolarHBondContact O-CB 3.26Å; F359-I362 PolarHBondContact O-N 3.17Å; F359-I363 HydrophobicContact CD1-CG1 4Å; F359-I363 HydrophobicContact CE1-CD1 4.14Å; F359-I363 HydrophobicContact CE1-CG1 3.55Å; F359-I363 HydrophobicContact CE2-CD1 3.94Å; F359-I363 HydrophobicContact CE2-CG1 4.14Å; F359-I363 HydrophobicContact CG-CG1 4.48Å; F359-I363 HydrophobicContact CZ-CD1 3.67Å; F359-I363 HydrophobicContact CZ-CG1 3.63Å; F359-I363 WeakPolarHBondContact O-CG1 2.97Å; F359-I363 PolarHBondContact O-N 2.85Å; F359-L382 HydrophobicContact CE2-CD2 4.02Å; F359-M394 HydrophobicContact CD1-CB 4.29Å; F359-M394 HydrophobicContact CD1-CG 4.08Å; F359-M394 HydrophobicContact CD2-CE 4.41Å; F359-M394 HydrophobicContact CE1-CB 3.79Å; F359-M394 HydrophobicContact CE1-CG 4.02Å; F359-M394 HydrophobicContact CE2-CE 3.91Å; F359-M394 HydrophobicContact CG-CG 4.4Å; F359-M394 HydrophobicContact CZ-CB 4.1Å; F359-M394 HydrophobicContact CZ-CE 4.05Å; F359-M394 HydrophobicContact CZ-CG 4.3Å; F359-H397 HydrophobicContact CD1-CB 4.24Å; F359-H397 HydrophobicContact CE1-CB 4.13Å; F359-L398 HydrophobicContact CE1-CG 4.15Å; F359-L398 HydrophobicContact CZ-CD1 4.17Å; F359-L398 HydrophobicContact CZ-CD2 4.14Å; F359-L398 HydrophobicContact CZ-CG 3.93Å
360	R	96.6	Very high	89.1	Confident	129 Å²	129	52.6 Å²	52.6	49%	0.487	26%	0.258	S	S	.	.	H	α-helix	trans	-54.5	-41	178	-173.5	-169	165.8	-147	-6.5	112.8	L358 I363 S364 I401	L358-R360 VanDerWaalsContact C-N 3.26Å; L358-R360 PolarHBondContact O-N 2.95Å; R360-I363 PolarHBondContact O-N 3.45Å; R360-S364 PolarHBondContact O-N 2.88Å; R360-S364 PolarHBondContact O-OG 2.8Å; R360-I401 HydrophobicContact CG-CD1 3.73Å
361	D	93.9	Very high	90.2	Very high	60 Å²	60	54 Å²	54	32%	0.321	26%	0.261	S	S	.	.	H	α-helix	trans	-72.3	-39.4	-177.3	-64.1	-17.4	0	0	0	110.5	L319 L358 F359 I363 S364 T365	L319-D361 HydrophobicContact CD1-CB 3.97Å; L319-D361 HydrophobicContact CD2-CB 4.02Å; L358-D361 HydrophobicContact CB-CB 4.36Å; L358-D361 PolarHBondContact O-N 3.12Å; F359-D361 VanDerWaalsContact C-N 3.26Å; F359-D361 PolarHBondContact O-N 2.79Å; D361-I363 PolarHBondContact O-N 2.74Å; D361-S364 WeakPolarHBondContact O-CB 3.2Å; D361-S364 PolarHBondContact O-N 3.33Å; D361-S364 VanDerWaalsContact O-N 3.16Å; D361-T365 PolarHBondContact O-N 2.94Å; D361-T365 PolarHBondContact O-OG1 2.81Å; D361-T365 VanDerWaalsContact O-OG1 3.11Å
362	I	96.6	Very high	91.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.3	-49.3	172.7	-63.8	162.9	0	0	0	110.6	L319 Y322 V335 V347 I357 L358 F359 S364 T365 L366	L319-I362 HydrophobicContact CD2-CB 4.38Å; L319-I362 HydrophobicContact CD2-CG1 3.66Å; Y322-I362 HydrophobicContact CD1-CG2 4.13Å; Y322-I362 HydrophobicContact CD2-CG1 4.43Å; Y322-I362 HydrophobicContact CD2-CG2 4.25Å; Y322-I362 HydrophobicContact CE1-CG2 3.75Å; Y322-I362 HydrophobicContact CE2-CB 4.5Å; Y322-I362 HydrophobicContact CE2-CD1 4.01Å; Y322-I362 HydrophobicContact CE2-CG1 3.83Å; Y322-I362 HydrophobicContact CE2-CG2 3.88Å; Y322-I362 HydrophobicContact CG-CG2 4.36Å; V335-I362 HydrophobicContact CG1-CD1 4.15Å; V335-I362 HydrophobicContact CG2-CG2 4.3Å; V347-I362 HydrophobicContact CB-CD1 3.54Å; V347-I362 HydrophobicContact CG1-CD1 3.75Å; V347-I362 HydrophobicContact CG2-CD1 3.49Å; V347-I362 VanDerWaalsContact CG2-CD1 3.49Å; I357-I362 HydrophobicContact CD1-CD1 3.64Å; I357-I362 HydrophobicContact CD1-CG1 3.78Å; I357-I362 HydrophobicContact CG1-CD1 3.89Å; I357-I362 HydrophobicContact CG1-CG1 4.32Å; L358-I362 PolarHBondContact O-N 3.31Å; F359-I362 WeakPolarHBondContact O-CB 3.26Å; F359-I362 PolarHBondContact O-N 3.17Å; I362-S364 PolarHBondContact O-N 3.22Å; I362-T365 WeakPolarHBondContact O-CB 3.43Å; I362-T365 PolarHBondContact O-N 2.95Å; I362-T365 VanDerWaalsContact O-N 3.1Å; I362-L366 HydrophobicContact CG2-CD1 4.45Å; I362-L366 HydrophobicContact CG2-CG 4.43Å; I362-L366 WeakPolarHBondContact O-CG 3.07Å; I362-L366 PolarHBondContact O-N 2.77Å
363	I	98.1	Very high	92.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.9	-33.9	179.5	-58.6	-47	0	0	0	111.1	F359 R360 D361 L366 K367 L398 I401 L402	F359-I363 HydrophobicContact CD1-CG1 4Å; F359-I363 HydrophobicContact CE1-CD1 4.14Å; F359-I363 HydrophobicContact CE1-CG1 3.55Å; F359-I363 HydrophobicContact CE2-CD1 3.94Å; F359-I363 HydrophobicContact CE2-CG1 4.14Å; F359-I363 HydrophobicContact CG-CG1 4.48Å; F359-I363 HydrophobicContact CZ-CD1 3.67Å; F359-I363 HydrophobicContact CZ-CG1 3.63Å; F359-I363 WeakPolarHBondContact O-CG1 2.97Å; F359-I363 PolarHBondContact O-N 2.85Å; R360-I363 PolarHBondContact O-N 3.45Å; D361-I363 PolarHBondContact O-N 2.74Å; I363-L366 HydrophobicContact CD1-CD1 4.01Å; I363-L366 PolarHBondContact O-N 3.02Å; I363-K367 PolarHBondContact O-N 2.87Å; I363-L398 HydrophobicContact CD1-CD2 3.65Å; I363-L398 HydrophobicContact CG1-CD2 4.07Å; I363-L398 HydrophobicContact CG2-CD2 4.31Å; I363-I401 HydrophobicContact CB-CD1 4.19Å; I363-I401 HydrophobicContact CG2-CB 3.8Å; I363-I401 HydrophobicContact CG2-CD1 4.15Å; I363-I401 HydrophobicContact CG2-CG2 3.82Å; I363-L402 HydrophobicContact CG2-CD1 4.04Å; I363-L402 HydrophobicContact CG2-CD2 3.65Å; I363-L402 HydrophobicContact CG2-CG 3.56Å
364	S	97.1	Very high	93.7	Very high	44 Å²	44	48.1 Å²	48.1	31%	0.308	23%	0.231	S	C	.	.	H	α-helix	trans	-66.5	-41.7	173.8	-57.1	0	0	0	0	111.8	R360 D361 I362 K367 E368	R360-S364 PolarHBondContact O-N 2.88Å; R360-S364 PolarHBondContact O-OG 2.8Å; D361-S364 WeakPolarHBondContact O-CB 3.2Å; D361-S364 PolarHBondContact O-N 3.33Å; D361-S364 VanDerWaalsContact O-N 3.16Å; I362-S364 PolarHBondContact O-N 3.22Å; S364-K367 WeakPolarHBondContact O-CB 3.27Å; S364-K367 PolarHBondContact O-N 2.88Å; S364-E368 PolarHBondContact O-N 2.87Å
365	T	95.4	Very high	94.9	Very high	13 Å²	13	51.9 Å²	51.9	8%	0.08	25%	0.251	C	S	.	.	H	α-helix	trans	-60.9	-43.9	171.7	-58	0	0	0	0	111.5	I323 D361 I362 K367 E368 Y369	I323-T365 HydrophobicContact CD1-CG2 4.1Å; I323-T365 HydrophobicContact CG1-CG2 3.48Å; I323-T365 VanDerWaalsContact CG1-CG2 3.48Å; D361-T365 PolarHBondContact O-N 2.94Å; D361-T365 PolarHBondContact O-OG1 2.81Å; D361-T365 VanDerWaalsContact O-OG1 3.11Å; I362-T365 WeakPolarHBondContact O-CB 3.43Å; I362-T365 PolarHBondContact O-N 2.95Å; I362-T365 VanDerWaalsContact O-N 3.1Å; T365-K367 VanDerWaalsContact C-N 3.34Å; T365-K367 PolarHBondContact O-N 3.49Å; T365-E368 PolarHBondContact O-N 3.31Å; T365-Y369 HydrophobicContact CG2-CD2 3.97Å; T365-Y369 WeakPolarHBondContact O-CD2 3.47Å; T365-Y369 PolarHBondContact O-N 2.74Å
366	L	97.6	Very high	95.8	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-41.8	176.5	-65	-178.8	0	0	0	111.7	Y322 L326 V333 I362 I363 E368 Y369 A370 V380	Y322-L366 HydrophobicContact CD1-CD2 4.26Å; L326-L366 HydrophobicContact CD1-CD2 3.85Å; V333-L366 HydrophobicContact CG2-CD2 4.05Å; I362-L366 HydrophobicContact CG2-CD1 4.45Å; I362-L366 HydrophobicContact CG2-CG 4.43Å; I362-L366 WeakPolarHBondContact O-CG 3.07Å; I362-L366 PolarHBondContact O-N 2.77Å; I363-L366 HydrophobicContact CD1-CD1 4.01Å; I363-L366 PolarHBondContact O-N 3.02Å; L366-E368 PolarHBondContact O-N 3.04Å; L366-Y369 PolarHBondContact O-N 3.11Å; L366-A370 WeakPolarHBondContact O-CB 3.34Å; L366-A370 PolarHBondContact O-N 3.34Å; L366-V380 HydrophobicContact CD1-CG2 3.63Å
367	K	97.5	Very high	96.4	Very high	106 Å²	106	44.4 Å²	44.4	46%	0.461	21%	0.213	S	C	.	.	H	α-helix	trans	-55.3	-42	175.4	-171.5	-171.6	-172.1	152	0	112.1	I363 S364 T365 I401 L402 M405	I363-K367 PolarHBondContact O-N 2.87Å; S364-K367 WeakPolarHBondContact O-CB 3.27Å; S364-K367 PolarHBondContact O-N 2.88Å; T365-K367 VanDerWaalsContact C-N 3.34Å; T365-K367 PolarHBondContact O-N 3.49Å; K367-I401 HydrophobicContact CB-CG2 4.13Å; K367-I401 HydrophobicContact CD-CG2 4.01Å; K367-I401 WeakPolarHBondContact CD-O 3.49Å; K367-I401 WeakPolarHBondContact CE-O 3.14Å; K367-I401 PolarHBondContact NZ-O 3.39Å; K367-L402 HydrophobicContact CB-CD2 4.04Å; K367-M405 HydrophobicContact CG-SD 3.91Å; K367-M405 WeakPolarHBondContact O-CE 3.49Å
368	E	95.9	Very high	96.8	Very high	110 Å²	110	43.9 Å²	43.9	51%	0.514	21%	0.211	S	C	.	.	H	α-helix	trans	-78.2	-38.7	-176	-173.6	179.8	167.7	0	0	112.7	S364 T365 L366 K372	S364-E368 PolarHBondContact O-N 2.87Å; T365-E368 PolarHBondContact O-N 3.31Å; L366-E368 PolarHBondContact O-N 3.04Å; E368-K372 WeakPolarHBondContact O-CE 3.16Å; E368-K372 WeakPolarHBondContact O-CG 3.48Å
369	Y	96.6	Very high	97	Very high	40 Å²	40	40.7 Å²	40.7	16%	0.157	19%	0.194	C	C	.	.	H	α-helix	trans	-109.2	-15.8	-167.2	-69.8	-86	0	0	0	115.4	I323 T365 L366 F371 K372	I323-Y369 HydrophobicContact CD1-CD2 4.28Å; I323-Y369 HydrophobicContact CD1-CE2 3.87Å; I323-Y369 HydrophobicContact CG1-CD2 3.88Å; I323-Y369 HydrophobicContact CG1-CE2 4Å; I323-Y369 HydrophobicContact CG1-CG 4.18Å; I323-Y369 HydrophobicContact CG2-CD1 3.87Å; I323-Y369 HydrophobicContact CG2-CE1 3.83Å; I323-Y369 HydrophobicContact CG2-CG 4.32Å; T365-Y369 HydrophobicContact CG2-CD2 3.97Å; T365-Y369 WeakPolarHBondContact O-CD2 3.47Å; T365-Y369 PolarHBondContact O-N 2.74Å; L366-Y369 PolarHBondContact O-N 3.11Å; Y369-F371 PolarHBondContact O-N 3.2Å; Y369-F371 VanDerWaalsContact O-N 3.08Å; Y369-K372 HydrophobicContact CD1-CG 4.26Å; Y369-K372 PolarHBondContact O-N 2.96Å
370	A	97.5	Very high	97.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-42	-172.8	0	0	0	0	0	112.5	R331 L366 V378 M405 I429	R331-A370 VanDerWaalsContact CZ-O 3.31Å; R331-A370 PolarHBondContact NH1-O 3.34Å; R331-A370 PolarHBondContact NH2-O 3.41Å; L366-A370 WeakPolarHBondContact O-CB 3.34Å; L366-A370 PolarHBondContact O-N 3.34Å; A370-V378 HydrophobicContact CB-CG2 4.07Å; A370-M405 HydrophobicContact CB-CE 4.32Å; A370-I429 HydrophobicContact CB-CD1 4.17Å
371	F	98.1	Very high	97.2	Very high	39 Å²	39	34.6 Å²	34.6	17%	0.171	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	26.5	-174.5	-48.8	-61.3	0	0	0	114.4	Y369 S374 F376 V378 M405 G427 I429	Y369-F371 PolarHBondContact O-N 3.2Å; Y369-F371 VanDerWaalsContact O-N 3.08Å; F371-S374 VanDerWaalsContact CA-O 3.27Å; F371-S374 WeakPolarHBondContact CA-O 3.14Å; F371-S374 WeakPolarHBondContact CD1-O 3.2Å; F371-F376 WeakPolarHBondContact CE1-O 3.46Å; F371-V378 HydrophobicContact CE1-CG2 4.09Å; F371-M405 HydrophobicContact CD2-CE 3.47Å; F371-M405 VanDerWaalsContact CD2-CE 3.47Å; F371-M405 HydrophobicContact CE2-CB 4.4Å; F371-M405 HydrophobicContact CE2-CE 3.28Å; F371-M405 HydrophobicContact CE2-CG 4.33Å; F371-M405 HydrophobicContact CZ-CE 4.45Å; F371-G427 VanDerWaalsContact CE2-C 3.41Å; F371-G427 WeakPolarHBondContact CE2-O 3.07Å; F371-G427 WeakPolarHBondContact CZ-O 3.37Å; F371-I429 HydrophobicContact CE2-CG1 4.25Å; F371-I429 HydrophobicContact CZ-CG1 3.86Å
372	K	95.3	Very high	97.3	Very high	146 Å²	146	32.1 Å²	32.1	64%	0.635	16%	0.158	S	C	*	.	S	Bend	trans	-75.8	-33.9	178.3	-71.8	-70.6	-177.2	179.5	0	113.8	E368 Y369	E368-K372 WeakPolarHBondContact O-CE 3.16Å; E368-K372 WeakPolarHBondContact O-CG 3.48Å; Y369-K372 HydrophobicContact CD1-CG 4.26Å; Y369-K372 PolarHBondContact O-N 2.96Å
373	V	94.2	Very high	97.2	Very high	65 Å²	65	35.8 Å²	35.8	39%	0.394	18%	0.175	S	C	.	.	S	Bend	trans	-108.8	-27.6	-177.7	174.4	0	0	0	0	112.1
374	S	97.3	Very high	96.9	Very high	6 Å²	6	37.6 Å²	37.6	4%	0.042	19%	0.185	C	C	.	.			trans	-146.6	130.2	-178.3	172.2	0	0	0	0	109.8	R331 F371 F376 C591	R331-S374 PolarHBondContact NH1-O 3.26Å; F371-S374 VanDerWaalsContact CA-O 3.27Å; F371-S374 WeakPolarHBondContact CA-O 3.14Å; F371-S374 WeakPolarHBondContact CD1-O 3.2Å; S374-F376 PolarHBondContact O-N 3.4Å; S374-F376 PolarHBondContact OG-N 3.3Å; S374-C591 WeakPolarHBondContact CB-O 3.4Å; S374-C591 PolarHBondContact OG-O 3.32Å
375	D	97.7	Very high	96.7	Very high	87 Å²	87	38 Å²	38	47%	0.465	18%	0.182	S	C	.	.			trans	-79	-8.8	177.7	-63.7	-23.5	0	0	0	112.9	R426 G427	D375-R426 HydrophobicContact CB-CG 3.65Å; D375-R426 CarbonylContact O-C 3.5Å; D375-R426 WeakPolarHBondContact O-CA 3.22Å; D375-R426 WeakPolarHBondContact O-CG 3.41Å; D375-G427 PolarHBondContact O-N 3.25Å
376	F	98.8	Very high	96.6	Very high	7 Å²	7	37.7 Å²	37.7	3%	0.031	18%	0.18	C	C	.	.	S	Bend	trans	-72.8	155.2	-177.8	-69	-66.1	0	0	0	112.3	L287 M291 R331 F371 S374 P422 C591 Y593	L287-F376 HydrophobicContact CD1-CE2 3.65Å; L287-F376 HydrophobicContact CD1-CZ 4.05Å; L287-F376 HydrophobicContact CD2-CE2 4.01Å; L287-F376 HydrophobicContact CD2-CZ 3.91Å; M291-F376 HydrophobicContact CB-CE1 3.82Å; M291-F376 HydrophobicContact CB-CZ 3.92Å; M291-F376 HydrophobicContact CE-CD1 4Å; M291-F376 HydrophobicContact CE-CD2 4.09Å; M291-F376 HydrophobicContact CE-CE1 3.76Å; M291-F376 HydrophobicContact CE-CE2 3.87Å; M291-F376 HydrophobicContact CE-CG 4.16Å; M291-F376 HydrophobicContact CE-CZ 3.71Å; M291-F376 HydrophobicContact CG-CE1 3.99Å; M291-F376 HydrophobicContact CG-CE2 4.35Å; M291-F376 HydrophobicContact CG-CZ 3.58Å; M291-F376 HydrophobicContact SD-CZ 4.36Å; R331-F376 PolarHBondContact NH1-O 3.16Å; F371-F376 WeakPolarHBondContact CE1-O 3.46Å; S374-F376 PolarHBondContact O-N 3.4Å; S374-F376 PolarHBondContact OG-N 3.3Å; F376-P422 HydrophobicContact CD1-CB 3.65Å; F376-P422 WeakPolarHBondContact CD1-O 3.34Å; F376-P422 HydrophobicContact CE1-CB 4.2Å; F376-P422 HydrophobicContact CG-CB 4.37Å; F376-C591 HydrophobicContact CD2-CB 3.74Å; F376-C591 HydrophobicContact CE2-CB 3.99Å; F376-Y593 HydrophobicContact CB-CD2 3.62Å; F376-Y593 HydrophobicContact CB-CE2 3.55Å; F376-Y593 HydrophobicContact CG-CD2 4.25Å
377	P	98.8	Very high	96.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.196	C	C	.	.			trans	-55.7	148.9	-169.2	19.2	-34.3	0	0	0	114.3	P422 L425 K428 L430 Y593	P377-P422 VanDerWaalsContact CD-O 3.31Å; P377-P422 WeakPolarHBondContact CD-O 3.44Å; P377-P422 HydrophobicContact CG-CB 4.46Å; P377-L425 HydrophobicContact CB-CB 3.86Å; P377-L425 HydrophobicContact CG-CB 3.65Å; P377-L425 HydrophobicContact CG-CD1 4.4Å; P377-K428 WeakPolarHBondContact CA-O 3.41Å; P377-K428 WeakPolarHBondContact CB-O 3.39Å; P377-L430 HydrophobicContact CB-CD1 3.67Å; P377-Y593 HydrophobicContact CG-CE2 4.36Å; P377-Y593 WeakPolarHBondContact O-CE2 3.3Å; P377-Y593 PolarHBondContact O-OH 3.47Å
378	V	98.9	Very high	96.3	Very high	1 Å²	1	37 Å²	37	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	131	172.8	174.9	0	0	0	0	109.8	L326 R331 A370 F371 K428 I429 L430	L326-V378 HydrophobicContact CD2-CG1 4.36Å; L326-V378 HydrophobicContact CD2-CG2 4.28Å; R331-V378 CarbonylContact O-C 3.49Å; R331-V378 WeakPolarHBondContact O-CA 3.47Å; A370-V378 HydrophobicContact CB-CG2 4.07Å; F371-V378 HydrophobicContact CE1-CG2 4.09Å; V378-K428 PolarHBondContact N-O 2.7Å; V378-I429 HydrophobicContact CB-CG1 4.45Å; V378-I429 CarbonylContact O-C 3.55Å; V378-I429 VanDerWaalsContact O-CA 3.25Å; V378-I429 WeakPolarHBondContact O-CA 3.47Å; V378-L430 PolarHBondContact O-N 2.73Å
379	I	98.9	Very high	96.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	125.9	174.4	-57.4	170.8	0	0	0	108.8	I300 R331 C332 V333 L430 K432 I566	I300-I379 HydrophobicContact CD1-CD1 4.24Å; R331-I379 PolarHBondContact O-N 2.94Å; C332-I379 VanDerWaalsContact CA-O 3.32Å; C332-I379 WeakPolarHBondContact CA-O 3.34Å; C332-I379 HydrophobicContact CB-CB 4.19Å; V333-I379 PolarHBondContact N-O 2.87Å; I379-L430 WeakPolarHBondContact CA-O 3.45Å; I379-L430 HydrophobicContact CG1-CB 4.36Å; I379-K432 HydrophobicContact CG2-CB 4.08Å; I379-I566 HydrophobicContact CD1-CD1 3.9Å
380	V	98.8	Very high	96.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	107.8	170.6	179.3	0	0	0	0	108	V333 V335 L366 L382 I429 L430 L431 K432	V333-V380 HydrophobicContact CG2-CG2 4.32Å; V335-V380 HydrophobicContact CG2-CG1 3.81Å; L366-V380 HydrophobicContact CD1-CG2 3.63Å; V380-L382 HydrophobicContact CG1-CD2 3.85Å; V380-L382 HydrophobicContact CG1-CG 4.46Å; V380-L382 PolarHBondContact O-N 3.4Å; V380-I429 HydrophobicContact CG2-CG2 3.65Å; V380-L430 PolarHBondContact N-O 3.48Å; V380-L431 HydrophobicContact CB-CD1 4.23Å; V380-L431 HydrophobicContact CG1-CD1 4.26Å; V380-K432 PolarHBondContact O-N 3.18Å
381	S	98.4	Very high	96.2	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.007	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	104.3	174.1	179.3	0	0	0	0	109.8	V333 E334 V335 K432	V333-S381 PolarHBondContact O-N 2.85Å; E334-S381 WeakPolarHBondContact CA-O 3.46Å; V335-S381 PolarHBondContact N-O 2.88Å; S381-K432 WeakPolarHBondContact OG-CD 3.35Å; S381-K432 PolarHBondContact OG-NZ 3.15Å; S381-K432 VanDerWaalsContact OG-NZ 3.09Å
382	L	96.4	Very high	96.1	Very high	8 Å²	8	38.4 Å²	38.4	4%	0.042	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	127.4	172.7	-62.5	-173.5	0	0	0	110.4	V335 F359 V380 M394 L431 K432 A433 L485	V335-L382 HydrophobicContact CB-CD2 3.92Å; V335-L382 HydrophobicContact CG1-CD2 4.43Å; V335-L382 HydrophobicContact CG2-CD2 4.48Å; F359-L382 HydrophobicContact CE2-CD2 4.02Å; V380-L382 HydrophobicContact CG1-CD2 3.85Å; V380-L382 HydrophobicContact CG1-CG 4.46Å; V380-L382 PolarHBondContact O-N 3.4Å; L382-M394 HydrophobicContact CD1-CE 3.8Å; L382-M394 HydrophobicContact CD2-CE 4.37Å; L382-L431 HydrophobicContact CD1-CD1 3.61Å; L382-L431 HydrophobicContact CD1-CD2 4.11Å; L382-L431 HydrophobicContact CD1-CG 4.15Å; L382-L431 HydrophobicContact CD2-CD1 4.35Å; L382-L431 HydrophobicContact CG-CD1 3.66Å; L382-L431 HydrophobicContact CG-CG 4.45Å; L382-K432 PolarHBondContact N-O 3.37Å; L382-A433 HydrophobicContact CB-CB 4.33Å; L382-A433 HydrophobicContact CD1-CB 4.5Å; L382-L485 HydrophobicContact CD1-CD1 4.1Å
383	E	93.4	Very high	96.2	Very high	78 Å²	78	32.8 Å²	32.8	36%	0.364	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	116.9	156.1	-167.5	179.7	152	0	0	106.5	V335 D336 C337 H385	V335-E383 PolarHBondContact O-N 2.87Å; D336-E383 HydrophobicContact CB-CB 4.49Å; C337-E383 PolarHBondContact N-O 3.27Å; E383-H385 WeakPolarHBondContact CG-NE2 3.47Å; E383-H385 IonicContact OE1-CE1 3.68Å; E383-H385 PolarHBondContact OE1-CE1 3.21Å; E383-H385 IonicContact OE1-NE2 3.59Å; E383-H385 PolarHBondContact OE1-NE2 2.69Å
384	N	92.7	Very high	96.4	Very high	38 Å²	38	29.7 Å²	29.7	20%	0.203	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	107.4	-163.6	173.2	33.3	0	0	0	111.4	C386 Q391	N384-C386 WeakPolarHBondContact OD1-CB 3.41Å; N384-C386 PolarHBondContact OD1-N 3.49Å; N384-C386 VanDerWaalsContact OD1-N 3.11Å; N384-Q391 WeakPolarHBondContact ND2-CG 3.25Å; N384-Q391 PolarHBondContact ND2-NE2 3.34Å; N384-Q391 VanDerWaalsContact ND2-NE2 3.18Å
385	H	93.6	Very high	96.5	Very high	52 Å²	52	29.4 Å²	29.4	24%	0.241	16%	0.158	C	C	.	.			trans	-108.6	7.3	175.5	-55.4	-79.1	0	0	0	112.6	D336 C337 W338 E383	D336-H385 IonicContact OD1-CD2 3.97Å; D336-H385 PolarHBondContact OD1-CD2 3.08Å; D336-H385 IonicContact OD1-NE2 3.48Å; D336-H385 PolarHBondContact OD1-NE2 3.03Å; C337-H385 WeakPolarHBondContact O-CA 3.41Å; C337-H385 WeakPolarHBondContact O-CB 3.44Å; C337-H385 PolarHBondContact O-N 2.88Å; W338-H385 HydrophobicContact CD2-CB 3.7Å; W338-H385 AromaticContact CE2-CD2 3.35Å; W338-H385 AromaticContact CE2-CG 3.66Å; W338-H385 HydrophobicContact CE3-CB 3.66Å; W338-H385 HydrophobicContact CG-CB 4.3Å; W338-H385 HydrophobicContact CH2-CB 3.97Å; W338-H385 AromaticContact CH2-CG 3.68Å; W338-H385 AromaticContact CH2-ND1 3.86Å; W338-H385 HydrophobicContact CZ2-CB 3.99Å; W338-H385 AromaticContact CZ2-CD2 3.3Å; W338-H385 WeakPolarHBondContact CZ2-CD2 3.29Å; W338-H385 AromaticContact CZ2-CE1 3.95Å; W338-H385 AromaticContact CZ2-CG 3.45Å; W338-H385 VanDerWaalsContact CZ2-CG 3.45Å; W338-H385 AromaticContact CZ2-ND1 3.88Å; W338-H385 AromaticContact CZ2-NE2 3.61Å; W338-H385 HydrophobicContact CZ3-CB 3.81Å; W338-H385 AromaticContact NE1-CD2 3.52Å; E383-H385 WeakPolarHBondContact CG-NE2 3.47Å; E383-H385 IonicContact OE1-CE1 3.68Å; E383-H385 PolarHBondContact OE1-CE1 3.21Å; E383-H385 IonicContact OE1-NE2 3.59Å; E383-H385 PolarHBondContact OE1-NE2 2.69Å
386	C	93.3	Very high	96.5	Very high	7 Å²	7	33 Å²	33	5%	0.047	17%	0.165	C	C	.	.			trans	-75.5	148.6	-180	-68.7	0	0	0	0	112.5	W338 D339 N384 Q390 Q391 M394	W338-C386 PolarHBondContact O-SG 3.28Å; D339-C386 WeakPolarHBondContact OD1-CA 3.11Å; D339-C386 WeakPolarHBondContact OD1-CB 3.29Å; N384-C386 WeakPolarHBondContact OD1-CB 3.41Å; N384-C386 PolarHBondContact OD1-N 3.49Å; N384-C386 VanDerWaalsContact OD1-N 3.11Å; C386-Q390 HydrophobicContact CB-CB 4.08Å; C386-Q391 HydrophobicContact CB-CG 3.95Å; C386-Q391 PolarHBondContact O-NE2 3.09Å; C386-M394 HydrophobicContact CB-SD 4.12Å
387	G	93.4	Very high	96.5	Very high	32 Å²	32	33.9 Å²	33.9	33%	0.33	17%	0.169	S	C	.	.			trans	-65.9	159.9	164.7	0	0	0	0	0	112.5	D339 E389 Q390 Q391	D339-G387 VanDerWaalsContact CG-N 3.33Å; D339-G387 PolarHBondContact OD1-N 2.79Å; D339-G387 PolarHBondContact OD2-N 3.24Å; G387-E389 PolarHBondContact O-N 3.32Å; G387-E389 VanDerWaalsContact O-N 3.11Å; G387-Q390 PolarHBondContact O-N 2.8Å; G387-Q391 WeakPolarHBondContact O-CG 3.26Å; G387-Q391 PolarHBondContact O-N 3.31Å
388	V	94.8	Very high	96.5	Very high	60 Å²	60	33.9 Å²	33.9	36%	0.364	17%	0.169	S	C	.	.	H	α-helix	trans	-54.7	-35.5	-175.3	177.7	0	0	0	0	113.2	Q391 T392 S479	V388-Q391 PolarHBondContact O-N 2.94Å; V388-T392 PolarHBondContact O-N 3.44Å; V388-T392 PolarHBondContact O-OG1 3.06Å; V388-S479 WeakPolarHBondContact CG2-O 3.34Å
389	E	94.6	Very high	96.4	Very high	170 Å²	170	38.3 Å²	38.3	79%	0.794	19%	0.186	S	C	*	.	H	α-helix	trans	-62.9	-48.7	177.5	-66.2	-174.4	174.6	0	0	111.6	G387 T392 V393	G387-E389 PolarHBondContact O-N 3.32Å; G387-E389 VanDerWaalsContact O-N 3.11Å; E389-T392 VanDerWaalsContact O-CB 3.29Å; E389-T392 WeakPolarHBondContact O-CB 3.39Å; E389-T392 PolarHBondContact O-N 2.92Å; E389-V393 PolarHBondContact O-N 3.25Å
390	Q	96	Very high	96.4	Very high	22 Å²	22	46 Å²	46	10%	0.103	22%	0.221	C	C	.	.	H	α-helix	trans	-74.5	-29.3	178.7	-66.9	-157	30	0	0	112.4	D339 G340 E344 P345 C386 G387 T392 V393 M394	D339-Q390 VanDerWaalsContact OD1-CB 3.3Å; D339-Q390 WeakPolarHBondContact OD1-CB 3.18Å; D339-Q390 VanDerWaalsContact OD1-CD 3.32Å; D339-Q390 WeakPolarHBondContact OD1-CG 3.49Å; G340-Q390 PolarHBondContact O-NE2 2.98Å; E344-Q390 PolarHBondContact O-OE1 2.49Å; P345-Q390 VanDerWaalsContact CA-OE1 3.3Å; P345-Q390 HydrophobicContact CG-CB 4.21Å; C386-Q390 HydrophobicContact CB-CB 4.08Å; G387-Q390 PolarHBondContact O-N 2.8Å; Q390-T392 PolarHBondContact O-N 2.91Å; Q390-V393 CarbonylContact O-C 3.55Å; Q390-V393 WeakPolarHBondContact O-CA 3.38Å; Q390-V393 WeakPolarHBondContact O-CB 3.44Å; Q390-V393 PolarHBondContact O-N 3.25Å; Q390-M394 WeakPolarHBondContact O-CG 3.21Å; Q390-M394 PolarHBondContact O-N 3.49Å
391	Q	96.9	Very high	96.4	Very high	7 Å²	7	46.7 Å²	46.7	3%	0.033	23%	0.225	C	C	.	.	H	α-helix	trans	-59.6	-37.1	167.8	-68.1	178.4	27.3	0	0	112	N384 C386 G387 V388 V393 M394 A395 K480 L485	N384-Q391 WeakPolarHBondContact ND2-CG 3.25Å; N384-Q391 PolarHBondContact ND2-NE2 3.34Å; N384-Q391 VanDerWaalsContact ND2-NE2 3.18Å; C386-Q391 HydrophobicContact CB-CG 3.95Å; C386-Q391 PolarHBondContact O-NE2 3.09Å; G387-Q391 WeakPolarHBondContact O-CG 3.26Å; G387-Q391 PolarHBondContact O-N 3.31Å; V388-Q391 PolarHBondContact O-N 2.94Å; Q391-V393 VanDerWaalsContact C-N 3.32Å; Q391-M394 WeakPolarHBondContact O-CB 3.47Å; Q391-M394 PolarHBondContact O-N 3Å; Q391-A395 PolarHBondContact O-N 3.28Å; Q391-K480 PolarHBondContact NE2-O 3.22Å; Q391-L485 HydrophobicContact CB-CD2 3.95Å; Q391-L485 HydrophobicContact CG-CD2 4.06Å
392	T	96.7	Very high	96.4	Very high	20 Å²	20	46.9 Å²	46.9	12%	0.123	23%	0.226	C	C	.	.	H	α-helix	trans	-65.5	-38.1	174.1	-53.7	0	0	0	0	110.8	V388 E389 Q390 A395 R396 E484	V388-T392 PolarHBondContact O-N 3.44Å; V388-T392 PolarHBondContact O-OG1 3.06Å; E389-T392 VanDerWaalsContact O-CB 3.29Å; E389-T392 WeakPolarHBondContact O-CB 3.39Å; E389-T392 PolarHBondContact O-N 2.92Å; Q390-T392 PolarHBondContact O-N 2.91Å; T392-A395 PolarHBondContact O-N 3.4Å; T392-R396 WeakPolarHBondContact O-CG 3.28Å; T392-R396 PolarHBondContact O-N 3.03Å; T392-E484 HydrophobicContact CG2-CG 4.3Å
393	V	97.8	Very high	96.4	Very high	27 Å²	27	48.1 Å²	48.1	16%	0.164	24%	0.241	C	C	.	.	H	α-helix	trans	-64.9	-44.3	173.3	178	0	0	0	0	111.1	P345 E389 Q390 Q391 A395 R396 H397	P345-V393 HydrophobicContact CG-CB 4.3Å; P345-V393 HydrophobicContact CG-CG1 4.18Å; E389-V393 PolarHBondContact O-N 3.25Å; Q390-V393 CarbonylContact O-C 3.55Å; Q390-V393 WeakPolarHBondContact O-CA 3.38Å; Q390-V393 WeakPolarHBondContact O-CB 3.44Å; Q390-V393 PolarHBondContact O-N 3.25Å; Q391-V393 VanDerWaalsContact C-N 3.32Å; V393-A395 VanDerWaalsContact C-N 3.33Å; V393-A395 PolarHBondContact O-N 3.28Å; V393-R396 WeakPolarHBondContact O-CB 3.49Å; V393-R396 PolarHBondContact O-N 2.81Å; V393-R396 VanDerWaalsContact O-N 3.11Å; V393-H397 PolarHBondContact O-N 2.99Å
394	M	98.3	Very high	96.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-55.5	-47.8	173.8	-66.4	169.8	62.6	0	0	111.3	C337 P345 F359 L382 C386 Q390 Q391 R396 H397 L398 L485	C337-M394 HydrophobicContact CB-CE 3.69Å; C337-M394 HydrophobicContact CB-SD 4Å; C337-M394 WeakPolarHBondContact SG-CE 3.28Å; P345-M394 HydrophobicContact CB-CG 3.82Å; P345-M394 HydrophobicContact CB-SD 4.45Å; P345-M394 HydrophobicContact CG-CG 3.49Å; P345-M394 VanDerWaalsContact CG-CG 3.49Å; F359-M394 HydrophobicContact CD1-CB 4.29Å; F359-M394 HydrophobicContact CD1-CG 4.08Å; F359-M394 HydrophobicContact CD2-CE 4.41Å; F359-M394 HydrophobicContact CE1-CB 3.79Å; F359-M394 HydrophobicContact CE1-CG 4.02Å; F359-M394 HydrophobicContact CE2-CE 3.91Å; F359-M394 HydrophobicContact CG-CG 4.4Å; F359-M394 HydrophobicContact CZ-CB 4.1Å; F359-M394 HydrophobicContact CZ-CE 4.05Å; F359-M394 HydrophobicContact CZ-CG 4.3Å; L382-M394 HydrophobicContact CD1-CE 3.8Å; L382-M394 HydrophobicContact CD2-CE 4.37Å; C386-M394 HydrophobicContact CB-SD 4.12Å; Q390-M394 WeakPolarHBondContact O-CG 3.21Å; Q390-M394 PolarHBondContact O-N 3.49Å; Q391-M394 WeakPolarHBondContact O-CB 3.47Å; Q391-M394 PolarHBondContact O-N 3Å; M394-R396 VanDerWaalsContact C-N 3.29Å; M394-R396 PolarHBondContact O-N 3.09Å; M394-H397 PolarHBondContact O-N 3.02Å; M394-L398 WeakPolarHBondContact O-CB 3.48Å; M394-L398 WeakPolarHBondContact O-CG 3.36Å; M394-L398 PolarHBondContact O-N 3.14Å; M394-L485 HydrophobicContact CE-CD2 4.48Å
395	A	98	Very high	96.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.6	-35	178.7	0	0	0	0	0	112.6	Q391 T392 V393 R399 E484 L485 L488	Q391-A395 PolarHBondContact O-N 3.28Å; T392-A395 PolarHBondContact O-N 3.4Å; V393-A395 VanDerWaalsContact C-N 3.33Å; V393-A395 PolarHBondContact O-N 3.28Å; A395-R399 WeakPolarHBondContact O-CG 3.34Å; A395-R399 PolarHBondContact O-N 2.69Å; A395-R399 VanDerWaalsContact O-N 3.12Å; A395-E484 HydrophobicContact CB-CB 3.93Å; A395-L485 HydrophobicContact CB-CB 4.21Å; A395-L485 HydrophobicContact CB-CD1 4.33Å; A395-L488 HydrophobicContact CB-CD1 3.92Å
396	R	98.1	Very high	97.1	Very high	163 Å²	163	50.2 Å²	50.2	62%	0.615	25%	0.25	S	S	*	.	H	α-helix	trans	-67.5	-47	173.5	-72.5	171.9	-173.9	164.8	4.5	111.7	T392 V393 M394 R399 H400	T392-R396 WeakPolarHBondContact O-CG 3.28Å; T392-R396 PolarHBondContact O-N 3.03Å; V393-R396 WeakPolarHBondContact O-CB 3.49Å; V393-R396 PolarHBondContact O-N 2.81Å; V393-R396 VanDerWaalsContact O-N 3.11Å; M394-R396 VanDerWaalsContact C-N 3.29Å; M394-R396 PolarHBondContact O-N 3.09Å; R396-R399 PolarHBondContact O-N 3.17Å; R396-H400 VanDerWaalsContact O-CB 3.27Å; R396-H400 WeakPolarHBondContact O-CB 3.47Å; R396-H400 PolarHBondContact O-N 2.73Å
397	H	98.4	Very high	97.3	Very high	25 Å²	25	50.4 Å²	50.4	12%	0.116	25%	0.25	C	S	.	.	H	α-helix	trans	-59.4	-47.2	177.1	-74.8	-32.6	0	0	0	111.3	E344 F359 V393 M394 R399 H400 I401	E344-H397 IonicContact OE1-CE1 3.43Å; E344-H397 IonicContact OE1-NE2 3.51Å; E344-H397 IonicContact OE2-CD2 2.81Å; E344-H397 IonicContact OE2-CE1 2.64Å; E344-H397 IonicContact OE2-NE2 2.69Å; E344-H397 PolarHBondContact OE2-NE2 3.21Å; F359-H397 HydrophobicContact CD1-CB 4.24Å; F359-H397 HydrophobicContact CE1-CB 4.13Å; V393-H397 PolarHBondContact O-N 2.99Å; M394-H397 PolarHBondContact O-N 3.02Å; H397-R399 PolarHBondContact O-N 3.06Å; H397-H400 PolarHBondContact O-N 3.06Å; H397-I401 HydrophobicContact CB-CD1 4.09Å; H397-I401 WeakPolarHBondContact O-CB 3.48Å; H397-I401 VanDerWaalsContact O-CG1 3.27Å; H397-I401 WeakPolarHBondContact O-CG1 3.43Å; H397-I401 PolarHBondContact O-N 3.09Å
398	L	98.6	Very high	97.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-55.3	-53.2	175.8	-75.8	167.1	0	0	0	111.7	F359 I363 M394 L402 L406 L431 L485 L488	F359-L398 HydrophobicContact CE1-CG 4.15Å; F359-L398 HydrophobicContact CZ-CD1 4.17Å; F359-L398 HydrophobicContact CZ-CD2 4.14Å; F359-L398 HydrophobicContact CZ-CG 3.93Å; I363-L398 HydrophobicContact CD1-CD2 3.65Å; I363-L398 HydrophobicContact CG1-CD2 4.07Å; I363-L398 HydrophobicContact CG2-CD2 4.31Å; M394-L398 WeakPolarHBondContact O-CB 3.48Å; M394-L398 WeakPolarHBondContact O-CG 3.36Å; M394-L398 PolarHBondContact O-N 3.14Å; L398-L402 HydrophobicContact CD2-CD1 3.88Å; L398-L402 VanDerWaalsContact O-CB 3.26Å; L398-L402 WeakPolarHBondContact O-CB 3.26Å; L398-L402 PolarHBondContact O-N 2.91Å; L398-L402 VanDerWaalsContact O-N 3.09Å; L398-L406 HydrophobicContact CB-CD2 3.93Å; L398-L431 HydrophobicContact CD1-CD1 4.18Å; L398-L431 HydrophobicContact CD1-CD2 4.1Å; L398-L485 HydrophobicContact CD1-CD1 4.06Å; L398-L488 HydrophobicContact CB-CD1 3.98Å; L398-L488 HydrophobicContact CD1-CD1 3.86Å
399	R	98.2	Very high	97.3	Very high	95 Å²	95	52 Å²	52	36%	0.358	26%	0.26	S	S	.	.	H	α-helix	trans	-63.1	-47.8	-179.9	-73.1	-175.8	-176.1	96.9	3	112.6	A395 R396 H397 G403 L406 E484 L488	A395-R399 WeakPolarHBondContact O-CG 3.34Å; A395-R399 PolarHBondContact O-N 2.69Å; A395-R399 VanDerWaalsContact O-N 3.12Å; R396-R399 PolarHBondContact O-N 3.17Å; H397-R399 PolarHBondContact O-N 3.06Å; R399-G403 VanDerWaalsContact O-CA 3.3Å; R399-G403 WeakPolarHBondContact O-CA 3.37Å; R399-G403 PolarHBondContact O-N 3.19Å; R399-L406 HydrophobicContact CG-CD2 4.37Å; R399-E484 PolarHBondContact NH1-O 2.77Å; R399-E484 PolarHBondContact NH2-O 2.78Å; R399-L488 HydrophobicContact CG-CD2 3.89Å
400	H	98	Very high	97.3	Very high	161 Å²	161	45.2 Å²	45.2	75%	0.745	23%	0.23	S	C	*	.	H	α-helix	trans	-73.2	-40.6	-172.2	-174.3	66.7	0	0	0	112.4	R396 H397	R396-H400 VanDerWaalsContact O-CB 3.27Å; R396-H400 WeakPolarHBondContact O-CB 3.47Å; R396-H400 PolarHBondContact O-N 2.73Å; H397-H400 PolarHBondContact O-N 3.06Å
401	I	98.4	Very high	97	Very high	15 Å²	15	46.4 Å²	46.4	8%	0.077	24%	0.237	C	C	.	.	H	α-helix	trans	-78.7	-52.2	-176.4	-61.7	168.8	0	0	0	109.8	R360 I363 K367 H397	R360-I401 HydrophobicContact CG-CD1 3.73Å; I363-I401 HydrophobicContact CB-CD1 4.19Å; I363-I401 HydrophobicContact CG2-CB 3.8Å; I363-I401 HydrophobicContact CG2-CD1 4.15Å; I363-I401 HydrophobicContact CG2-CG2 3.82Å; K367-I401 HydrophobicContact CB-CG2 4.13Å; K367-I401 HydrophobicContact CD-CG2 4.01Å; K367-I401 WeakPolarHBondContact CD-O 3.49Å; K367-I401 WeakPolarHBondContact CE-O 3.14Å; K367-I401 PolarHBondContact NZ-O 3.39Å; H397-I401 HydrophobicContact CB-CD1 4.09Å; H397-I401 WeakPolarHBondContact O-CB 3.48Å; H397-I401 VanDerWaalsContact O-CG1 3.27Å; H397-I401 WeakPolarHBondContact O-CG1 3.43Å; H397-I401 PolarHBondContact O-N 3.09Å
402	L	98.3	Very high	96.5	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-78.3	-28	-175.2	-56.8	-179.5	0	0	0	112.8	I363 K367 L398 E404 M405 L406 I429	I363-L402 HydrophobicContact CG2-CD1 4.04Å; I363-L402 HydrophobicContact CG2-CD2 3.65Å; I363-L402 HydrophobicContact CG2-CG 3.56Å; K367-L402 HydrophobicContact CB-CD2 4.04Å; L398-L402 HydrophobicContact CD2-CD1 3.88Å; L398-L402 VanDerWaalsContact O-CB 3.26Å; L398-L402 WeakPolarHBondContact O-CB 3.26Å; L398-L402 PolarHBondContact O-N 2.91Å; L398-L402 VanDerWaalsContact O-N 3.09Å; L402-E404 PolarHBondContact O-N 3.07Å; L402-M405 HydrophobicContact CB-CB 4.41Å; L402-M405 VanDerWaalsContact O-CB 3.28Å; L402-M405 WeakPolarHBondContact O-CB 3.44Å; L402-M405 WeakPolarHBondContact O-CG 3.33Å; L402-M405 PolarHBondContact O-N 3.4Å; L402-L406 HydrophobicContact CB-CB 3.89Å; L402-L406 HydrophobicContact CD1-CB 4.32Å; L402-L406 HydrophobicContact CD1-CD1 4.2Å; L402-I429 HydrophobicContact CD1-CB 4.37Å; L402-I429 HydrophobicContact CD1-CD1 3.92Å; L402-I429 HydrophobicContact CD1-CG2 4.05Å; L402-I429 HydrophobicContact CD2-CD1 3.72Å; L402-I429 HydrophobicContact CG-CD1 4.31Å
403	G	97.7	Very high	95.8	Very high	35 Å²	35	55.7 Å²	55.7	36%	0.361	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	52.9	-128	179.2	0	0	0	0	0	111.9	R399 M405 L406	R399-G403 VanDerWaalsContact O-CA 3.3Å; R399-G403 WeakPolarHBondContact O-CA 3.37Å; R399-G403 PolarHBondContact O-N 3.19Å; G403-M405 PolarHBondContact O-N 3.23Å; G403-M405 VanDerWaalsContact O-N 3.16Å; G403-L406 PolarHBondContact O-N 3.27Å
404	E	96.5	Very high	95	Very high	166 Å²	166	61.1 Å²	61.1	78%	0.776	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-63.1	-17.4	179.9	-62.5	-57.5	139	0	0	114.6	L402 L406 K428	L402-E404 PolarHBondContact O-N 3.07Å; E404-L406 VanDerWaalsContact C-N 3.28Å; E404-K428 PolarHBondContact O-NZ 3.22Å
405	M	98.3	Very high	94.4	Very high	39 Å²	39	64.5 Å²	64.5	19%	0.192	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-69	-31	174.3	-59.1	166.2	73.5	0	0	110.4	K367 A370 F371 L402 G403 L407 K428 I429	K367-M405 HydrophobicContact CG-SD 3.91Å; K367-M405 WeakPolarHBondContact O-CE 3.49Å; A370-M405 HydrophobicContact CB-CE 4.32Å; F371-M405 HydrophobicContact CD2-CE 3.47Å; F371-M405 VanDerWaalsContact CD2-CE 3.47Å; F371-M405 HydrophobicContact CE2-CB 4.4Å; F371-M405 HydrophobicContact CE2-CE 3.28Å; F371-M405 HydrophobicContact CE2-CG 4.33Å; F371-M405 HydrophobicContact CZ-CE 4.45Å; L402-M405 HydrophobicContact CB-CB 4.41Å; L402-M405 VanDerWaalsContact O-CB 3.28Å; L402-M405 WeakPolarHBondContact O-CB 3.44Å; L402-M405 WeakPolarHBondContact O-CG 3.33Å; L402-M405 PolarHBondContact O-N 3.4Å; G403-M405 PolarHBondContact O-N 3.23Å; G403-M405 VanDerWaalsContact O-N 3.16Å; M405-L407 PolarHBondContact O-N 3.47Å; M405-K428 CarbonylContact O-C 3.6Å; M405-K428 VanDerWaalsContact O-CA 3.28Å; M405-K428 WeakPolarHBondContact O-CA 3.49Å; M405-I429 HydrophobicContact CB-CD1 4.2Å; M405-I429 HydrophobicContact CB-CG1 4.45Å; M405-I429 HydrophobicContact CE-CD1 4.01Å; M405-I429 PolarHBondContact O-N 3.08Å
406	L	98.6	Very high	93.9	Very high	7 Å²	7	65.6 Å²	65.6	4%	0.037	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-77.1	125.5	179.8	-178.6	64	0	0	0	110.6	L398 R399 L402 G403 E404 T408 L488	L398-L406 HydrophobicContact CB-CD2 3.93Å; R399-L406 HydrophobicContact CG-CD2 4.37Å; L402-L406 HydrophobicContact CB-CB 3.89Å; L402-L406 HydrophobicContact CD1-CB 4.32Å; L402-L406 HydrophobicContact CD1-CD1 4.2Å; G403-L406 PolarHBondContact O-N 3.27Å; E404-L406 VanDerWaalsContact C-N 3.28Å; L406-T408 HydrophobicContact CB-CG2 4.46Å; L406-T408 HydrophobicContact CD2-CG2 3.99Å; L406-T408 HydrophobicContact CG-CG2 3.89Å; L406-T408 PolarHBondContact O-N 2.88Å; L406-L488 HydrophobicContact CD2-CD1 4.22Å; L406-L488 HydrophobicContact CD2-CD2 3.87Å
407	L	97.5	Very high	93.5	Very high	10 Å²	10	65.8 Å²	65.8	5%	0.052	36%	0.363	C	S	.	.			trans	-78	116.2	171.5	-172.2	76.1	0	0	0	109.8	M405 A409 L411 L425 I429 L430 V490 Y491	M405-L407 PolarHBondContact O-N 3.47Å; L407-A409 WeakPolarHBondContact CD1-O 2.98Å; L407-L411 HydrophobicContact CD1-CD2 4.04Å; L407-L425 HydrophobicContact CD2-CD2 4.1Å; L407-I429 PolarHBondContact N-O 3.38Å; L407-L430 HydrophobicContact CD2-CG 4.14Å; L407-V490 HydrophobicContact CD2-CB 4.19Å; L407-V490 HydrophobicContact CD2-CG1 4.32Å; L407-V490 HydrophobicContact CG-CG2 4.43Å; L407-Y491 HydrophobicContact CD2-CD2 3.41Å; L407-Y491 VanDerWaalsContact CD2-CD2 3.41Å; L407-Y491 HydrophobicContact CD2-CE2 3.53Å; L407-Y491 HydrophobicContact CD2-CG 4.45Å
408	T	95.4	Very high	93.3	Very high	75 Å²	75	69.6 Å²	69.6	46%	0.46	38%	0.382	S	S	.	.			trans	-115.9	-9	-175.6	57.1	0	0	0	0	114.3	L406 L488	L406-T408 HydrophobicContact CB-CG2 4.46Å; L406-T408 HydrophobicContact CD2-CG2 3.99Å; L406-T408 HydrophobicContact CG-CG2 3.89Å; L406-T408 PolarHBondContact O-N 2.88Å; T408-L488 HydrophobicContact CG2-CD2 3.74Å
409	A	93.7	Very high	93.2	Very high	52 Å²	52	69.8 Å²	69.8	43%	0.43	38%	0.383	S	S	.	.	S	Bend	trans	-147.8	159.5	177.9	0	0	0	0	0	110.4	L407	L407-A409 WeakPolarHBondContact CD1-O 2.98Å
410	P	93.3	Very high	93.2	Very high	27 Å²	27	65.9 Å²	65.9	18%	0.175	37%	0.369	C	S	.	.			trans	-59	143.5	171.8	-21.3	32.8	0	0	0	111.9	D412 G413 Q414 L439 V490 Y491	P410-D412 PolarHBondContact O-N 3.05Å; P410-G413 PolarHBondContact O-N 3.29Å; P410-G413 VanDerWaalsContact O-N 3.15Å; P410-Q414 WeakPolarHBondContact CB-O 3.32Å; P410-L439 HydrophobicContact CG-CD1 4.31Å; P410-L439 HydrophobicContact CG-CD2 4.44Å; P410-V490 HydrophobicContact CB-CG1 4.42Å; P410-V490 HydrophobicContact CG-CG1 4.01Å; P410-Y491 VanDerWaalsContact CA-OH 3.31Å; P410-Y491 WeakPolarHBondContact CA-OH 3.45Å; P410-Y491 HydrophobicContact CB-CE1 4.27Å
411	L	91.1	Very high	93.2	Very high	47 Å²	47	58.2 Å²	58.2	25%	0.246	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-54.4	135.9	169	-57.1	-176.6	0	0	0	109.5	L407 G413 Q414 P420 E424 L425 Y491	L407-L411 HydrophobicContact CD1-CD2 4.04Å; L411-G413 PolarHBondContact O-N 3.31Å; L411-Q414 PolarHBondContact O-N 3.45Å; L411-P420 HydrophobicContact CD1-CB 3.67Å; L411-P420 HydrophobicContact CD1-CG 3.79Å; L411-P420 HydrophobicContact CG-CG 4.38Å; L411-E424 HydrophobicContact CD1-CB 3.93Å; L411-L425 HydrophobicContact CD1-CD2 4.06Å; L411-L425 HydrophobicContact CD2-CD2 4.5Å; L411-L425 HydrophobicContact CG-CD2 4.45Å; L411-Y491 HydrophobicContact CG-CE2 4.23Å; L411-Y491 PolarHBondContact N-OH 2.97Å
412	D	85.9	Confident	93.2	Very high	155 Å²	155	57.5 Å²	57.5	83%	0.829	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	55	13.5	-177.6	-53.6	-37.6	0	0	0	115.8	P410 Q414	P410-D412 PolarHBondContact O-N 3.05Å; D412-Q414 PolarHBondContact O-N 2.93Å
413	G	81.2	Confident	93.2	Very high	67 Å²	67	60.4 Å²	60.4	69%	0.691	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	68.8	13.3	-177.9	0	0	0	0	0	114.5	P410 L411	P410-G413 PolarHBondContact O-N 3.29Å; P410-G413 VanDerWaalsContact O-N 3.15Å; L411-G413 PolarHBondContact O-N 3.31Å
414	Q	82.4	Confident	93.2	Very high	141 Å²	141	64.2 Å²	64.2	66%	0.659	35%	0.352	S	S	*	.			trans	-105.4	145.3	-177.7	-63.3	-174	18.2	0	0	112	P410 L411 D412 P416	P410-Q414 WeakPolarHBondContact CB-O 3.32Å; L411-Q414 PolarHBondContact O-N 3.45Å; D412-Q414 PolarHBondContact O-N 2.93Å; Q414-P416 WeakPolarHBondContact O-CD 3.08Å
415	I	85.9	Confident	93.3	Very high	71 Å²	71	56.3 Å²	56.3	36%	0.364	32%	0.315	S	S	.	.			trans	-76.9	121.3	173.8	-57.2	177.4	0	0	0	107.8	L439 E440 Y510	I415-L439 HydrophobicContact CD1-CB 4.1Å; I415-L439 HydrophobicContact CG1-CB 4Å; I415-L439 HydrophobicContact CG2-CB 4.32Å; I415-E440 HydrophobicContact CD1-CB 4.02Å; I415-E440 HydrophobicContact CD1-CG 3.57Å; I415-Y510 HydrophobicContact CG2-CD1 4.48Å; I415-Y510 HydrophobicContact CG2-CE1 3.9Å
416	P	87.4	Confident	93.3	Very high	23 Å²	23	59.7 Å²	59.7	15%	0.149	33%	0.326	C	S	.	.			trans	-68.2	139.4	-175.5	26.6	-35.1	0	0	0	111.7	Q414 M418 Y491 C509 Y510	Q414-P416 WeakPolarHBondContact O-CD 3.08Å; P416-M418 WeakPolarHBondContact CB-O 3.31Å; P416-Y491 HydrophobicContact CB-CE1 4.46Å; P416-Y491 HydrophobicContact CG-CD1 3.93Å; P416-Y491 HydrophobicContact CG-CE1 3.53Å; P416-C509 PolarHBondContact O-SG 3.18Å; P416-C509 VanDerWaalsContact O-SG 3.39Å; P416-Y510 HydrophobicContact CG-CD1 4.41Å
417	L	88.9	Confident	93.3	Very high	167 Å²	167	60.6 Å²	60.6	87%	0.874	34%	0.337	S	S	*	.	S	Bend	trans	-77.9	-31.8	162.1	-65.8	176	0	0	0	111.4
418	M	93.7	Very high	93.3	Very high	105 Å²	105	62.8 Å²	62.8	52%	0.517	35%	0.346	S	S	.	.	S	Bend	trans	-134.2	148.6	172.9	-62.1	-136.5	-69	0	0	109.3	P294 P416	P294-M418 HydrophobicContact CB-CB 4.45Å; P294-M418 HydrophobicContact CG-CB 4.13Å; P294-M418 HydrophobicContact CG-CE 3.36Å; P294-M418 HydrophobicContact CG-SD 4.05Å; P416-M418 WeakPolarHBondContact CB-O 3.31Å
419	L	96.8	Very high	93.5	Very high	4 Å²	4	59.3 Å²	59.3	2%	0.021	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-56	140.1	178.2	-71.4	169.5	0	0	0	110.8	P294 L295 Y491 C509 L539	P294-L419 VanDerWaalsContact CA-O 3.26Å; P294-L419 WeakPolarHBondContact CA-O 3.47Å; P294-L419 WeakPolarHBondContact CB-O 3.4Å; L295-L419 HydrophobicContact CB-CB 3.93Å; L295-L419 HydrophobicContact CB-CD1 4.2Å; L419-Y491 HydrophobicContact CD2-CG 4.47Å; L419-C509 HydrophobicContact CG-CB 4.41Å; L419-L539 HydrophobicContact CD1-CD1 4.05Å; L419-L539 HydrophobicContact CD1-CD2 4.29Å; L419-L539 HydrophobicContact CD1-CG 3.71Å
420	P	97.4	Very high	93.8	Very high	12 Å²	12	56.9 Å²	56.9	8%	0.078	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-57.9	156.8	171.2	-24.3	35.3	0	0	0	111.6	L295 L411 E424 L425 Y491	L295-P420 WeakPolarHBondContact CB-O 3.43Å; L295-P420 PolarHBondContact N-O 2.68Å; L295-P420 VanDerWaalsContact N-O 3.07Å; L411-P420 HydrophobicContact CD1-CB 3.67Å; L411-P420 HydrophobicContact CD1-CG 3.79Å; L411-P420 HydrophobicContact CG-CG 4.38Å; P420-E424 HydrophobicContact CB-CB 4.27Å; P420-L425 HydrophobicContact CB-CD1 4.03Å; P420-L425 HydrophobicContact CB-CD2 4.29Å; P420-L425 HydrophobicContact CB-CG 3.93Å; P420-Y491 HydrophobicContact CG-CD2 4.13Å; P420-Y491 HydrophobicContact CG-CE1 4.35Å; P420-Y491 HydrophobicContact CG-CE2 3.52Å
421	S	98.5	Very high	94	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.007	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-75.7	158.4	179.4	64.6	0	0	0	0	113	M291 N292 Q293 Q423 E424 L425	M291-S421 WeakPolarHBondContact O-CB 3.45Å; N292-S421 WeakPolarHBondContact O-CB 3.42Å; Q293-S421 WeakPolarHBondContact O-CA 3.37Å; Q293-S421 WeakPolarHBondContact O-CB 3.49Å; S421-Q423 PolarHBondContact O-N 3.46Å; S421-E424 VanDerWaalsContact CB-OE2 3.32Å; S421-E424 WeakPolarHBondContact CB-OE2 3.44Å; S421-E424 PolarHBondContact N-OE2 3.28Å; S421-E424 PolarHBondContact O-N 2.98Å; S421-E424 VanDerWaalsContact OG-CG 3.28Å; S421-E424 WeakPolarHBondContact OG-CG 3.29Å; S421-E424 PolarHBondContact OG-N 2.94Å; S421-E424 VanDerWaalsContact OG-N 3.14Å; S421-E424 PolarHBondContact OG-OE2 2.86Å; S421-L425 WeakPolarHBondContact O-CG 3.23Å; S421-L425 PolarHBondContact O-N 2.89Å; S421-L425 VanDerWaalsContact O-N 3.12Å
422	P	98.7	Very high	94.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-35.9	168.4	-26.2	34.3	0	0	0	112.4	M291 Q293 L295 Y298 F376 P377 L425 R426 Y593	M291-P422 HydrophobicContact CE-CB 3.88Å; M291-P422 HydrophobicContact CE-CG 4.21Å; M291-P422 WeakPolarHBondContact O-CD 3.43Å; Q293-P422 WeakPolarHBondContact O-CD 3.4Å; L295-P422 HydrophobicContact CD1-CG 4.06Å; Y298-P422 HydrophobicContact CD1-CG 4.48Å; Y298-P422 HydrophobicContact CD2-CG 3.69Å; Y298-P422 HydrophobicContact CE1-CG 4.33Å; Y298-P422 HydrophobicContact CE2-CG 3.52Å; Y298-P422 HydrophobicContact CG-CG 4.19Å; F376-P422 HydrophobicContact CD1-CB 3.65Å; F376-P422 WeakPolarHBondContact CD1-O 3.34Å; F376-P422 HydrophobicContact CE1-CB 4.2Å; F376-P422 HydrophobicContact CG-CB 4.37Å; P377-P422 VanDerWaalsContact CD-O 3.31Å; P377-P422 WeakPolarHBondContact CD-O 3.44Å; P377-P422 HydrophobicContact CG-CB 4.46Å; P422-L425 CarbonylContact O-C 3.58Å; P422-L425 PolarHBondContact O-N 2.98Å; P422-R426 PolarHBondContact O-N 3.28Å; P422-Y593 HydrophobicContact CG-CD1 4.1Å; P422-Y593 HydrophobicContact CG-CE1 4.34Å
423	Q	98.4	Very high	94.8	Very high	64 Å²	64	47.3 Å²	47.3	30%	0.299	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-45.1	177.9	-177.8	61.2	26.2	0	0	112.9	M291 N292 S421 L425 R426	M291-Q423 HydrophobicContact CB-CB 4.28Å; M291-Q423 WeakPolarHBondContact O-CB 3.09Å; M291-Q423 PolarHBondContact O-N 3.16Å; N292-Q423 WeakPolarHBondContact OD1-CG 3.46Å; S421-Q423 PolarHBondContact O-N 3.46Å; Q423-L425 VanDerWaalsContact C-N 3.26Å; Q423-L425 PolarHBondContact O-N 3.42Å; Q423-R426 VanDerWaalsContact CD-NH2 3.32Å; Q423-R426 WeakPolarHBondContact O-CB 3.43Å; Q423-R426 PolarHBondContact O-N 3.21Å
424	E	98.1	Very high	95.4	Very high	116 Å²	116	48.2 Å²	48.2	54%	0.542	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-27.6	177.8	-71	163.6	117.1	0	0	112.5	L411 P420 S421	L411-E424 HydrophobicContact CD1-CB 3.93Å; P420-E424 HydrophobicContact CB-CB 4.27Å; S421-E424 VanDerWaalsContact CB-OE2 3.32Å; S421-E424 WeakPolarHBondContact CB-OE2 3.44Å; S421-E424 PolarHBondContact N-OE2 3.28Å; S421-E424 PolarHBondContact O-N 2.98Å; S421-E424 VanDerWaalsContact OG-CG 3.28Å; S421-E424 WeakPolarHBondContact OG-CG 3.29Å; S421-E424 PolarHBondContact OG-N 2.94Å; S421-E424 VanDerWaalsContact OG-N 3.14Å; S421-E424 PolarHBondContact OG-OE2 2.86Å
425	L	98.4	Very high	95.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	15.2	-179.5	-66.2	170.7	0	0	0	113.4	L295 P377 L407 L411 P420 S421 P422 Q423 G427 K428 L430 Y491	L295-L425 HydrophobicContact CD2-CD1 4.3Å; P377-L425 HydrophobicContact CB-CB 3.86Å; P377-L425 HydrophobicContact CG-CB 3.65Å; P377-L425 HydrophobicContact CG-CD1 4.4Å; L407-L425 HydrophobicContact CD2-CD2 4.1Å; L411-L425 HydrophobicContact CD1-CD2 4.06Å; L411-L425 HydrophobicContact CD2-CD2 4.5Å; L411-L425 HydrophobicContact CG-CD2 4.45Å; P420-L425 HydrophobicContact CB-CD1 4.03Å; P420-L425 HydrophobicContact CB-CD2 4.29Å; P420-L425 HydrophobicContact CB-CG 3.93Å; S421-L425 WeakPolarHBondContact O-CG 3.23Å; S421-L425 PolarHBondContact O-N 2.89Å; S421-L425 VanDerWaalsContact O-N 3.12Å; P422-L425 CarbonylContact O-C 3.58Å; P422-L425 PolarHBondContact O-N 2.98Å; Q423-L425 VanDerWaalsContact C-N 3.26Å; Q423-L425 PolarHBondContact O-N 3.42Å; L425-G427 PolarHBondContact O-N 2.97Å; L425-K428 VanDerWaalsContact O-CB 3.26Å; L425-K428 WeakPolarHBondContact O-CB 3.38Å; L425-K428 PolarHBondContact O-N 3.16Å; L425-L430 HydrophobicContact CD1-CD2 4.07Å; L425-Y491 HydrophobicContact CD2-CD2 4.27Å; L425-Y491 HydrophobicContact CD2-CE2 4.13Å
426	R	98.1	Very high	96.1	Very high	110 Å²	110	42 Å²	42	42%	0.415	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	133.6	180	-167.9	-176.3	-70.8	-164.5	-5.4	111.2	D375 P422 Q423 K428	D375-R426 HydrophobicContact CB-CG 3.65Å; D375-R426 CarbonylContact O-C 3.5Å; D375-R426 WeakPolarHBondContact O-CA 3.22Å; D375-R426 WeakPolarHBondContact O-CG 3.41Å; P422-R426 PolarHBondContact O-N 3.28Å; Q423-R426 VanDerWaalsContact CD-NH2 3.32Å; Q423-R426 WeakPolarHBondContact O-CB 3.43Å; Q423-R426 PolarHBondContact O-N 3.21Å; R426-K428 PolarHBondContact O-N 3.48Å
427	G	98.2	Very high	96	Very high	25 Å²	25	42 Å²	42	26%	0.258	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	12.2	-178.3	0	0	0	0	0	114.5	F371 D375 L425	F371-G427 VanDerWaalsContact CE2-C 3.41Å; F371-G427 WeakPolarHBondContact CE2-O 3.07Å; F371-G427 WeakPolarHBondContact CZ-O 3.37Å; D375-G427 PolarHBondContact O-N 3.25Å; L425-G427 PolarHBondContact O-N 2.97Å
428	K	98.7	Very high	95.6	Very high	56 Å²	56	34.6 Å²	34.6	24%	0.243	18%	0.175	C	C	.	.			trans	-103.8	141.2	179.7	-58.4	-63.4	179.5	176.5	0	113.2	P377 V378 E404 M405 L425 R426 L430	P377-K428 WeakPolarHBondContact CA-O 3.41Å; P377-K428 WeakPolarHBondContact CB-O 3.39Å; V378-K428 PolarHBondContact N-O 2.7Å; E404-K428 PolarHBondContact O-NZ 3.22Å; M405-K428 CarbonylContact O-C 3.6Å; M405-K428 VanDerWaalsContact O-CA 3.28Å; M405-K428 WeakPolarHBondContact O-CA 3.49Å; L425-K428 VanDerWaalsContact O-CB 3.26Å; L425-K428 WeakPolarHBondContact O-CB 3.38Å; L425-K428 PolarHBondContact O-N 3.16Å; R426-K428 PolarHBondContact O-N 3.48Å; K428-L430 HydrophobicContact CB-CD1 4.17Å
429	I	98.9	Very high	95	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	122	171.2	-62.9	173.9	0	0	0	107.2	A370 F371 V378 V380 L402 M405 L407	A370-I429 HydrophobicContact CB-CD1 4.17Å; F371-I429 HydrophobicContact CE2-CG1 4.25Å; F371-I429 HydrophobicContact CZ-CG1 3.86Å; V378-I429 HydrophobicContact CB-CG1 4.45Å; V378-I429 CarbonylContact O-C 3.55Å; V378-I429 VanDerWaalsContact O-CA 3.25Å; V378-I429 WeakPolarHBondContact O-CA 3.47Å; V380-I429 HydrophobicContact CG2-CG2 3.65Å; L402-I429 HydrophobicContact CD1-CB 4.37Å; L402-I429 HydrophobicContact CD1-CD1 3.92Å; L402-I429 HydrophobicContact CD1-CG2 4.05Å; L402-I429 HydrophobicContact CD2-CD1 3.72Å; L402-I429 HydrophobicContact CG-CD1 4.31Å; M405-I429 HydrophobicContact CB-CD1 4.2Å; M405-I429 HydrophobicContact CB-CG1 4.45Å; M405-I429 HydrophobicContact CE-CD1 4.01Å; M405-I429 PolarHBondContact O-N 3.08Å; L407-I429 PolarHBondContact N-O 3.38Å
430	L	98.8	Very high	93.9	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	138.7	-179.3	-72.4	70.8	0	0	0	109.4	L295 P377 V378 I379 V380 L407 L425 K428 Y491	L295-L430 HydrophobicContact CD2-CD2 4.26Å; P377-L430 HydrophobicContact CB-CD1 3.67Å; V378-L430 PolarHBondContact O-N 2.73Å; I379-L430 WeakPolarHBondContact CA-O 3.45Å; I379-L430 HydrophobicContact CG1-CB 4.36Å; V380-L430 PolarHBondContact N-O 3.48Å; L407-L430 HydrophobicContact CD2-CG 4.14Å; L425-L430 HydrophobicContact CD1-CD2 4.07Å; K428-L430 HydrophobicContact CB-CD1 4.17Å; L430-Y491 HydrophobicContact CD2-CD2 4.46Å
431	L	98.5	Very high	92	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.021	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	120.8	176.1	-163.2	66.7	0	0	0	111	V380 L382 L398 L485 L488 V489	V380-L431 HydrophobicContact CB-CD1 4.23Å; V380-L431 HydrophobicContact CG1-CD1 4.26Å; L382-L431 HydrophobicContact CD1-CD1 3.61Å; L382-L431 HydrophobicContact CD1-CD2 4.11Å; L382-L431 HydrophobicContact CD1-CG 4.15Å; L382-L431 HydrophobicContact CD2-CD1 4.35Å; L382-L431 HydrophobicContact CG-CD1 3.66Å; L382-L431 HydrophobicContact CG-CG 4.45Å; L398-L431 HydrophobicContact CD1-CD1 4.18Å; L398-L431 HydrophobicContact CD1-CD2 4.1Å; L431-L485 HydrophobicContact CD2-CD1 4.02Å; L431-L488 HydrophobicContact CD2-CB 3.66Å; L431-L488 HydrophobicContact CD2-CD1 4.49Å; L431-V489 HydrophobicContact CD2-CG2 4.17Å; L431-V489 HydrophobicContact CG-CG2 4.5Å
432	K	98.1	Very high	89.6	Confident	17 Å²	17	45.2 Å²	45.2	7%	0.074	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	113.9	163.8	170.7	-161.6	160.5	-77.3	0	108.9	I379 V380 S381 L382 C492 S494 M512 S514	I379-K432 HydrophobicContact CG2-CB 4.08Å; V380-K432 PolarHBondContact O-N 3.18Å; S381-K432 WeakPolarHBondContact OG-CD 3.35Å; S381-K432 PolarHBondContact OG-NZ 3.15Å; S381-K432 VanDerWaalsContact OG-NZ 3.09Å; L382-K432 PolarHBondContact N-O 3.37Å; K432-C492 WeakPolarHBondContact CA-O 3.3Å; K432-C492 HydrophobicContact CB-CB 3.73Å; K432-C492 HydrophobicContact CG-CB 4.4Å; K432-S494 WeakPolarHBondContact CE-OG 3.39Å; K432-S494 VanDerWaalsContact CG-OG 3.3Å; K432-S494 WeakPolarHBondContact CG-OG 3.46Å; K432-M512 HydrophobicContact CB-SD 4.44Å; K432-M512 HydrophobicContact CD-SD 3.56Å; K432-M512 VanDerWaalsContact CD-SD 3.56Å; K432-M512 HydrophobicContact CG-SD 3.64Å; K432-S514 WeakPolarHBondContact CE-OG 3.47Å
433	A	96.1	Very high	86.8	Confident	6 Å²	6	52.7 Å²	52.7	5%	0.05	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	180	170.2	0	0	0	0	0	111.2	L382 V489 S494	L382-A433 HydrophobicContact CB-CB 4.33Å; L382-A433 HydrophobicContact CD1-CB 4.5Å; A433-V489 HydrophobicContact CB-CG2 3.72Å; A433-S494 PolarHBondContact O-N 3.23Å
434	K	93.5	Very high	83.7	Confident	86 Å²	86	55.7 Å²	55.7	37%	0.374	28%	0.284	S	S	.	.			trans	-66.5	146	168	-64.2	-179.6	-176.7	169.6	0	109.3	E456 L481	K434-E456 IonicContact NZ-OE1 3.75Å; K434-E456 PolarHBondContact NZ-OE1 2.71Å; K434-L481 HydrophobicContact CB-CD2 4.06Å
435	K	92.6	Very high	80.9	Confident	34 Å²	34	58.8 Å²	58.8	15%	0.148	30%	0.299	C	S	.	.			trans	-131.7	138.5	179.1	-171.7	-175.1	-177.2	71	0	110.2	S486 V489 K493	K435-S486 WeakPolarHBondContact CG-OG 3.31Å; K435-S486 PolarHBondContact NZ-O 2.88Å; K435-V489 HydrophobicContact CB-CB 4.11Å; K435-V489 HydrophobicContact CB-CG1 4.14Å; K435-V489 HydrophobicContact CD-CB 4.41Å; K435-V489 WeakPolarHBondContact CD-O 3.26Å; K435-V489 WeakPolarHBondContact CE-O 3.48Å; K435-V489 HydrophobicContact CG-CB 4.31Å; K435-V489 PolarHBondContact NZ-O 3.26Å; K435-K493 HydrophobicContact CB-CD 4.14Å; K435-K493 HydrophobicContact CB-CG 3.93Å; K435-K493 HydrophobicContact CD-CD 4.44Å
436	L	89.9	Confident	78	Confident	47 Å²	47	64.1 Å²	64.1	25%	0.246	33%	0.331	C	S	.	.	S	Bend	trans	-72.5	123	167.2	-59.2	174.8	0	0	0	109.4	L481 R483 S486	L436-L481 HydrophobicContact CD2-CB 4.27Å; L436-L481 HydrophobicContact CD2-CD2 4Å; L436-L481 HydrophobicContact CG-CD2 3.94Å; L436-L481 HydrophobicContact CG-CG 4.42Å; L436-R483 HydrophobicContact CD1-CB 4.43Å; L436-S486 PolarHBondContact N-OG 2.75Å
437	G	85.1	Confident	75	Confident	23 Å²	23	65.7 Å²	65.7	24%	0.237	35%	0.348	C	S	.	.	S	Bend	trans	66.1	-160.6	-178.7	0	0	0	0	0	116	K493	G437-K493 WeakPolarHBondContact O-CE 3.43Å; G437-K493 PolarHBondContact O-NZ 3.3Å
438	G	81.6	Confident	72.1	Confident	13 Å²	13	71.1 Å²	71.1	13%	0.134	38%	0.376	C	S	.	.			trans	-106.5	-173.5	176.9	0	0	0	0	0	113	E440 T441	G438-E440 VanDerWaalsContact C-N 3.26Å; G438-T441 PolarHBondContact N-OG1 2.84Å; G438-T441 PolarHBondContact O-OG1 2.82Å
439	L	81.1	Confident	69.5	Low	16 Å²	16	72.7 Å²	72.7	8%	0.084	39%	0.387	C	S	.	.	S	Bend	trans	-78.8	-17.7	169	-65	-179.5	0	0	0	111.3	P410 I415 T441 V490 Y510	P410-L439 HydrophobicContact CG-CD1 4.31Å; P410-L439 HydrophobicContact CG-CD2 4.44Å; I415-L439 HydrophobicContact CD1-CB 4.1Å; I415-L439 HydrophobicContact CG1-CB 4Å; I415-L439 HydrophobicContact CG2-CB 4.32Å; L439-T441 VanDerWaalsContact C-N 3.35Å; L439-V490 HydrophobicContact CD2-CG1 4.48Å; L439-Y510 HydrophobicContact CB-CE1 4.27Å; L439-Y510 HydrophobicContact CD1-CD1 3.65Å; L439-Y510 HydrophobicContact CD1-CD2 4.11Å; L439-Y510 HydrophobicContact CD1-CE1 3.81Å; L439-Y510 HydrophobicContact CD1-CE2 4.29Å; L439-Y510 HydrophobicContact CD1-CG 3.81Å; L439-Y510 HydrophobicContact CG-CD1 4.35Å; L439-Y510 HydrophobicContact CG-CD2 4.22Å; L439-Y510 HydrophobicContact CG-CE1 4.1Å; L439-Y510 HydrophobicContact CG-CE2 4Å; L439-Y510 HydrophobicContact CG-CG 4.4Å; L439-Y510 PolarHBondContact N-OH 2.8Å
440	E	72.6	Confident	66.5	Low	82 Å²	82	82 Å²	82	38%	0.383	43%	0.43	S	S	.	.	S	Bend	trans	-73.5	-24.7	177.6	-56.8	81.2	171.9	0	0	112.9	I415 G438 H442 K508 Y510	I415-E440 HydrophobicContact CD1-CB 4.02Å; I415-E440 HydrophobicContact CD1-CG 3.57Å; G438-E440 VanDerWaalsContact C-N 3.26Å; E440-H442 VanDerWaalsContact C-N 3.29Å; E440-H442 PolarHBondContact O-N 3.29Å; E440-H442 VanDerWaalsContact O-N 3.09Å; E440-K508 WeakPolarHBondContact OE1-CE 3.25Å; E440-K508 IonicContact OE1-NZ 3.25Å; E440-Y510 VanDerWaalsContact CD-OH 3.3Å; E440-Y510 PolarHBondContact OE1-OH 3.39Å; E440-Y510 VanDerWaalsContact OE1-OH 3.14Å; E440-Y510 PolarHBondContact OE2-OH 2.89Å
441	T	57.3	Low	63.8	Low	66 Å²	66	85.7 Å²	85.7	41%	0.405	45%	0.453	S	S	.	.			trans	-84.6	28.2	-163.7	34.3	0	0	0	0	115.8	G438 L439 L443	G438-T441 PolarHBondContact N-OG1 2.84Å; G438-T441 PolarHBondContact O-OG1 2.82Å; L439-T441 VanDerWaalsContact C-N 3.35Å; T441-L443 PolarHBondContact O-N 3.12Å
442	H	49.8	Very low	60.8	Low	180 Å²	180	89 Å²	89	83%	0.833	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	5.2	167.3	-81.7	-70.4	0	0	0	113.8	E440	E440-H442 VanDerWaalsContact C-N 3.29Å; E440-H442 PolarHBondContact O-N 3.29Å; E440-H442 VanDerWaalsContact O-N 3.09Å
443	L	39.4	Very low	58	Low	157 Å²	157	91.1 Å²	91.1	82%	0.822	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.6	1	-167.1	-86.2	158.4	0	0	0	117.9	T441	T441-L443 PolarHBondContact O-N 3.12Å
444	D	33.8	Very low	55.1	Low	127 Å²	127	98.6 Å²	98.6	68%	0.679	52%	0.522	S	S	*	.			trans	-149.9	120.6	174.6	-107.4	-33.7	0	0	0	114.8	T446	D444-T446 PolarHBondContact O-N 2.95Å
445	E	38.2	Very low	52.4	Low	181 Å²	181	99.2 Å²	99.2	85%	0.846	53%	0.53	S	S	*	.			trans	-87.1	17.5	-171.5	-70.7	-172	138.4	0	0	114.9
446	T	37	Very low	50.1	Low	112 Å²	112	102.8 Å²	102.8	69%	0.687	55%	0.547	S	S	*	.			trans	-127.9	13.4	-163.2	54.6	0	0	0	0	118.4	D444	D444-T446 PolarHBondContact O-N 2.95Å
447	L	37.1	Very low	47.3	Very low	144 Å²	144	108.8 Å²	108.8	75%	0.754	58%	0.576	S	S	*	*			trans	-94.8	122.3	175.5	-66.4	173.8	0	0	0	112.3	D449	L447-D449 PolarHBondContact O-N 3.06Å
448	T	37	Very low	44.8	Very low	139 Å²	139	111.5 Å²	111.5	85%	0.853	60%	0.596	S	S	*	*			trans	-73.4	107.1	172.2	48.1	0	0	0	0	109.5
449	D	42.7	Very low	42.7	Very low	89 Å²	89	118 Å²	118	48%	0.476	63%	0.628	S	S	.	*			trans	-74.8	120.8	179.7	-83.4	-28.9	0	0	0	111.8	L447 V451	L447-D449 PolarHBondContact O-N 3.06Å; D449-V451 VanDerWaalsContact C-N 3.35Å; D449-V451 PolarHBondContact O-N 3.13Å
450	E	36.8	Very low	40.2	Very low	197 Å²	197	120 Å²	120	92%	0.921	65%	0.652	S	S	*	*			trans	-80.2	82.8	161.4	-69.9	-172	178.6	0	0	109.3	S452	E450-S452 PolarHBondContact O-N 3.23Å
451	V	42.2	Very low	38.2	Very low	79 Å²	79	124.6 Å²	124.6	48%	0.479	68%	0.679	S	S	.	*			trans	-72.9	98.8	160.2	-109.3	0	0	0	0	107.3	D449	D449-V451 VanDerWaalsContact C-N 3.35Å; D449-V451 PolarHBondContact O-N 3.13Å
452	S	35	Very low	37.1	Very low	73 Å²	73	126.1 Å²	126.1	51%	0.51	70%	0.698	S	S	.	*			trans	-79.8	130.6	170.9	81.8	0	0	0	0	110	E450	E450-S452 PolarHBondContact O-N 3.23Å
453	D	40.1	Very low	36.1	Very low	63 Å²	63	127 Å²	127	34%	0.337	70%	0.703	S	S	.	*			trans	-96.3	27.6	-174	-72.6	-34	0	0	0	112.3	K480	D453-K480 IonicContact OD2-NZ 3.88Å; D453-K480 PolarHBondContact OD2-NZ 3.18Å
454	E	34.7	Very low	35.5	Very low	162 Å²	162	124.8 Å²	124.8	76%	0.757	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-83.5	-13.1	-169.5	-67.2	-167.6	165.6	0	0	114.9
455	D	37.2	Very low	35.8	Very low	99 Å²	99	124.5 Å²	124.5	53%	0.529	71%	0.705	S	S	.	*	G	3₁₀ helix	trans	-81.3	-13.3	178.4	-78.5	-34.3	0	0	0	113.6	H496	D455-H496 IonicContact OD1-CD2 3.73Å; D455-H496 IonicContact OD2-CD2 3.21Å
456	E	43.8	Very low	35.2	Very low	110 Å²	110	121.7 Å²	121.7	51%	0.514	71%	0.706	S	S	.	*	G	3₁₀ helix	trans	-86	-5.6	-176.4	-71.8	176.7	-154.8	0	0	113.7	K434	K434-E456 IonicContact NZ-OE1 3.75Å; K434-E456 PolarHBondContact NZ-OE1 2.71Å
457	M	31.9	Very low	35	Very low	173 Å²	173	120.9 Å²	120.9	85%	0.852	71%	0.71	S	S	*	*	S	Bend	trans	-117.5	5.4	178.5	-68.2	-128.5	-179.2	0	0	114.8	N459	M457-N459 PolarHBondContact O-N 2.97Å
458	A	31.3	Very low	34.6	Very low	79 Å²	79	123.2 Å²	123.2	65%	0.653	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	26.2	-179.4	0	0	0	0	0	114.9
459	N	37	Very low	34.4	Very low	151 Å²	151	124.2 Å²	124.2	81%	0.807	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	15.3	169.9	-88.4	-23.4	0	0	0	113	M457	M457-N459 PolarHBondContact O-N 2.97Å
460	G	29.4	Very low	33.7	Very low	58 Å²	58	127.9 Å²	127.9	60%	0.598	74%	0.737	S	S	*	*			trans	-134.9	98.2	174.8	0	0	0	0	0	112.3	A462	G460-A462 PolarHBondContact O-N 3.1Å
461	D	31.4	Very low	33.6	Very low	178 Å²	178	124.3 Å²	124.3	95%	0.952	73%	0.73	S	S	*	*			trans	-73.6	100.3	161.1	-84.7	-34.5	0	0	0	109
462	A	32.6	Very low	33.3	Very low	97 Å²	97	125.5 Å²	125.5	80%	0.802	75%	0.748	S	S	*	*			trans	-161.8	134.4	150.9	0	0	0	0	0	111.5	G460	G460-A462 PolarHBondContact O-N 3.1Å
463	E	29.1	Very low	33	Very low	198 Å²	198	130.1 Å²	130.1	93%	0.925	76%	0.762	S	S	*	*			trans	-59.1	144.7	-176.8	-61.6	175.2	143.3	0	0	114.9
464	S	27.7	Very low	32.8	Very low	112 Å²	112	134.3 Å²	134.3	78%	0.783	79%	0.79	S	S	*	*			trans	-56.5	-179.9	173.7	51.6	0	0	0	0	115.7
465	P	39.3	Very low	32.8	Very low	120 Å²	120	131.7 Å²	131.7	78%	0.779	79%	0.785	S	S	*	*			cis	-145.9	164.6	14.2	40.8	-20.2	0	0	0	118.3
466	S	25.8	Very low	32.7	Very low	123 Å²	123	135.1 Å²	135.1	86%	0.86	80%	0.803	S	S	*	*				-166.1	125.7	129.6	54.3	0	0	0	0	112.2
467	A	32.4	Very low	32.5	Very low	94 Å²	94	139.5 Å²	139.5	78%	0.777	82%	0.821	S	S	*	*			trans	-98.3	133	169.5	0	0	0	0	0	108.9
468	E	30.1	Very low	33.3	Very low	194 Å²	194	140.6 Å²	140.6	91%	0.907	82%	0.821	S	S	*	*			trans	-136	124.2	150.2	-75.1	-167.2	168.3	0	0	108.9
469	D	31.8	Very low	34.6	Very low	160 Å²	160	139.9 Å²	139.9	86%	0.856	81%	0.811	S	S	*	*			trans	-63.5	134.3	-177.7	-71.6	-58.2	0	0	0	113.5
470	L	28.4	Very low	36.7	Very low	166 Å²	166	139.3 Å²	139.3	87%	0.869	80%	0.801	S	S	*	*			trans	-136.2	142.4	152.9	-76	172.7	0	0	0	110.5
471	P	34.3	Very low	39.5	Very low	121 Å²	121	137.5 Å²	137.5	79%	0.786	78%	0.778	S	S	*	*			trans	-78.4	143.4	-164.2	21.9	-16	0	0	0	113.3	E473	P471-E473 PolarHBondContact O-N 2.76Å
472	A	35	Very low	42.4	Very low	104 Å²	104	129.1 Å²	129.1	86%	0.86	73%	0.733	S	S	*	*			trans	-65.2	109.6	-179.6	0	0	0	0	0	112.6
473	E	30.4	Very low	45.3	Very low	171 Å²	171	131.9 Å²	131.9	80%	0.799	72%	0.723	S	S	*	*			trans	-78.3	121.7	154.3	-81.7	-172.2	156	0	0	109.2	P471 T475	P471-E473 PolarHBondContact O-N 2.76Å; E473-T475 VanDerWaalsContact C-N 3.29Å; E473-T475 PolarHBondContact O-N 2.61Å
474	T	35.9	Very low	48.4	Very low	150 Å²	150	126.3 Å²	126.3	92%	0.92	70%	0.697	S	S	*	*			trans	-59.7	86.9	169.3	40.5	0	0	0	0	110.4
475	T	33.3	Very low	51.6	Low	107 Å²	107	121 Å²	121	66%	0.656	66%	0.66	S	S	*	*			trans	-98.8	124.3	163.6	48.8	0	0	0	0	107.9	E473 K477	E473-T475 VanDerWaalsContact C-N 3.29Å; E473-T475 PolarHBondContact O-N 2.61Å; T475-K477 PolarHBondContact O-N 2.8Å
476	N	35.7	Very low	54.3	Low	171 Å²	171	115.3 Å²	115.3	91%	0.914	62%	0.623	S	S	*	*			trans	-51.1	98.9	172.5	-95.3	-26.9	0	0	0	109.6	K478	N476-K478 PolarHBondContact O-N 3.28Å; N476-K478 VanDerWaalsContact O-N 3.07Å
477	K	39	Very low	57.6	Low	202 Å²	202	113.2 Å²	113.2	88%	0.878	60%	0.602	S	S	*	*			trans	-63.8	111.1	172.6	-77.3	-176.5	178.8	177.1	0	107.4	T475 S479	T475-K477 PolarHBondContact O-N 2.8Å; K477-S479 PolarHBondContact O-N 2.98Å
478	K	48.5	Very low	60.6	Low	196 Å²	196	108.8 Å²	108.8	85%	0.852	57%	0.565	S	S	*	*			trans	-55.1	131.3	169.5	-71.7	-178.5	177.7	-179.9	0	108.2	N476 K480	N476-K478 PolarHBondContact O-N 3.28Å; N476-K478 VanDerWaalsContact O-N 3.07Å; K478-K480 PolarHBondContact O-N 3.01Å
479	S	59.2	Low	63.8	Low	64 Å²	64	99.6 Å²	99.6	45%	0.448	52%	0.522	S	S	.	.			trans	-52.7	125.2	173.9	176.3	0	0	0	0	109.6	V388 K477 L481	V388-S479 WeakPolarHBondContact CG2-O 3.34Å; K477-S479 PolarHBondContact O-N 2.98Å; S479-L481 PolarHBondContact O-N 2.9Å; S479-L481 PolarHBondContact OG-N 3.08Å; S479-L481 PolarHBondContact OG-O 3.1Å
480	K	82	Confident	66.9	Low	139 Å²	139	92.2 Å²	92.2	60%	0.604	48%	0.483	S	S	*	.	S	Bend	trans	-76.1	-6.5	174.2	-68.6	-176	175.5	-177.1	0	112.9	Q391 D453 K478	Q391-K480 PolarHBondContact NE2-O 3.22Å; D453-K480 IonicContact OD2-NZ 3.88Å; D453-K480 PolarHBondContact OD2-NZ 3.18Å; K478-K480 PolarHBondContact O-N 3.01Å
481	L	88.7	Confident	70.1	Confident	21 Å²	21	84.6 Å²	84.6	11%	0.11	44%	0.443	C	S	.	.	S	Bend	trans	-116.4	129.3	-176	-175	62.3	0	0	0	110.9	K434 L436 S479	K434-L481 HydrophobicContact CB-CD2 4.06Å; L436-L481 HydrophobicContact CD2-CB 4.27Å; L436-L481 HydrophobicContact CD2-CD2 4Å; L436-L481 HydrophobicContact CG-CD2 3.94Å; L436-L481 HydrophobicContact CG-CG 4.42Å; S479-L481 PolarHBondContact O-N 2.9Å; S479-L481 PolarHBondContact OG-N 3.08Å; S479-L481 PolarHBondContact OG-O 3.1Å
482	S	92.1	Very high	73.1	Confident	2 Å²	2	78.9 Å²	78.9	1%	0.014	41%	0.406	C	S	.	.			trans	-66.6	131.5	170.8	160.4	0	0	0	0	110.2	E484 L485 S486	S482-E484 VanDerWaalsContact C-N 3.27Å; S482-E484 PolarHBondContact O-N 3.11Å; S482-E484 PolarHBondContact OG-N 3.39Å; S482-E484 PolarHBondContact OG-OE2 3.05Å; S482-L485 PolarHBondContact O-N 3.12Å; S482-L485 PolarHBondContact OG-N 2.74Å; S482-S486 WeakPolarHBondContact O-CB 3.37Å; S482-S486 PolarHBondContact O-N 2.97Å
483	R	92.6	Very high	76.1	Confident	154 Å²	154	75.2 Å²	75.2	58%	0.581	37%	0.37	S	S	*	.	H	α-helix	trans	-61.1	-41.4	173.9	-176.9	175.4	-71.9	-174.4	-4.6	110.4	L436 L485 S486 D487	L436-R483 HydrophobicContact CD1-CB 4.43Å; R483-L485 VanDerWaalsContact C-N 3.29Å; R483-L485 PolarHBondContact O-N 3.07Å; R483-S486 WeakPolarHBondContact O-CB 3.39Å; R483-S486 PolarHBondContact O-N 3.3Å; R483-D487 WeakPolarHBondContact O-CB 3.3Å; R483-D487 PolarHBondContact O-N 3.08Å
484	E	94.7	Very high	79.1	Confident	82 Å²	82	68.3 Å²	68.3	38%	0.383	34%	0.341	S	S	.	.	H	α-helix	trans	-60.3	-36.5	-180	-63.9	81.1	175.6	0	0	112.9	T392 A395 R399 S482	T392-E484 HydrophobicContact CG2-CG 4.3Å; A395-E484 HydrophobicContact CB-CB 3.93Å; R399-E484 PolarHBondContact NH1-O 2.77Å; R399-E484 PolarHBondContact NH2-O 2.78Å; S482-E484 VanDerWaalsContact C-N 3.27Å; S482-E484 PolarHBondContact O-N 3.11Å; S482-E484 PolarHBondContact OG-N 3.39Å; S482-E484 PolarHBondContact OG-OE2 3.05Å
485	L	95	Very high	82	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-77.3	-43	175.1	-174.9	61.4	0	0	0	111.3	L382 Q391 M394 A395 L398 L431 S482 R483 D487 L488	L382-L485 HydrophobicContact CD1-CD1 4.1Å; Q391-L485 HydrophobicContact CB-CD2 3.95Å; Q391-L485 HydrophobicContact CG-CD2 4.06Å; M394-L485 HydrophobicContact CE-CD2 4.48Å; A395-L485 HydrophobicContact CB-CB 4.21Å; A395-L485 HydrophobicContact CB-CD1 4.33Å; L398-L485 HydrophobicContact CD1-CD1 4.06Å; L431-L485 HydrophobicContact CD2-CD1 4.02Å; S482-L485 PolarHBondContact O-N 3.12Å; S482-L485 PolarHBondContact OG-N 2.74Å; R483-L485 VanDerWaalsContact C-N 3.29Å; R483-L485 PolarHBondContact O-N 3.07Å; L485-D487 VanDerWaalsContact C-N 3.27Å; L485-D487 PolarHBondContact O-N 3.04Å; L485-L488 HydrophobicContact CD1-CD1 4.45Å; L485-L488 WeakPolarHBondContact O-CB 3.28Å; L485-L488 PolarHBondContact O-N 2.73Å; L485-L488 VanDerWaalsContact O-N 3.11Å
486	S	95.2	Very high	84.8	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-56.8	-38.3	175.7	168	0	0	0	0	113	K435 L436 S482 R483 L488 V489	K435-S486 WeakPolarHBondContact CG-OG 3.31Å; K435-S486 PolarHBondContact NZ-O 2.88Å; L436-S486 PolarHBondContact N-OG 2.75Å; S482-S486 WeakPolarHBondContact O-CB 3.37Å; S482-S486 PolarHBondContact O-N 2.97Å; R483-S486 WeakPolarHBondContact O-CB 3.39Å; R483-S486 PolarHBondContact O-N 3.3Å; S486-L488 PolarHBondContact O-N 3.06Å; S486-V489 PolarHBondContact O-N 2.66Å; S486-V489 VanDerWaalsContact O-N 3.12Å
487	D	94.7	Very high	87.6	Confident	79 Å²	79	54.6 Å²	54.6	42%	0.422	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-19.3	-179.7	-68.8	-14.9	0	0	0	112.8	R483 L485 V489	R483-D487 WeakPolarHBondContact O-CB 3.3Å; R483-D487 PolarHBondContact O-N 3.08Å; L485-D487 VanDerWaalsContact C-N 3.27Å; L485-D487 PolarHBondContact O-N 3.04Å; D487-V489 VanDerWaalsContact C-N 3.32Å
488	L	96.6	Very high	90.2	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-12	175.9	-59.1	178.9	0	0	0	113.2	A395 L398 R399 L406 T408 L431 L485 S486	A395-L488 HydrophobicContact CB-CD1 3.92Å; L398-L488 HydrophobicContact CB-CD1 3.98Å; L398-L488 HydrophobicContact CD1-CD1 3.86Å; R399-L488 HydrophobicContact CG-CD2 3.89Å; L406-L488 HydrophobicContact CD2-CD1 4.22Å; L406-L488 HydrophobicContact CD2-CD2 3.87Å; T408-L488 HydrophobicContact CG2-CD2 3.74Å; L431-L488 HydrophobicContact CD2-CB 3.66Å; L431-L488 HydrophobicContact CD2-CD1 4.49Å; L485-L488 HydrophobicContact CD1-CD1 4.45Å; L485-L488 WeakPolarHBondContact O-CB 3.28Å; L485-L488 PolarHBondContact O-N 2.73Å; L485-L488 VanDerWaalsContact O-N 3.11Å; S486-L488 PolarHBondContact O-N 3.06Å
489	V	97	Very high	92.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.212	C	C	.	.			trans	-87.2	116.6	178.5	-175.6	0	0	0	0	109.3	L431 A433 K435 S486 D487 K493	L431-V489 HydrophobicContact CD2-CG2 4.17Å; L431-V489 HydrophobicContact CG-CG2 4.5Å; A433-V489 HydrophobicContact CB-CG2 3.72Å; K435-V489 HydrophobicContact CB-CB 4.11Å; K435-V489 HydrophobicContact CB-CG1 4.14Å; K435-V489 HydrophobicContact CD-CB 4.41Å; K435-V489 WeakPolarHBondContact CD-O 3.26Å; K435-V489 WeakPolarHBondContact CE-O 3.48Å; K435-V489 HydrophobicContact CG-CB 4.31Å; K435-V489 PolarHBondContact NZ-O 3.26Å; S486-V489 PolarHBondContact O-N 2.66Å; S486-V489 VanDerWaalsContact O-N 3.12Å; D487-V489 VanDerWaalsContact C-N 3.32Å; V489-K493 HydrophobicContact CG1-CB 4.21Å
490	V	96	Very high	94.2	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.03	20%	0.197	C	C	.	.	S	Bend	trans	-114.7	-78.2	-177.6	-170.8	0	0	0	0	110.8	L407 P410 L439	L407-V490 HydrophobicContact CD2-CB 4.19Å; L407-V490 HydrophobicContact CD2-CG1 4.32Å; L407-V490 HydrophobicContact CG-CG2 4.43Å; P410-V490 HydrophobicContact CB-CG1 4.42Å; P410-V490 HydrophobicContact CG-CG1 4.01Å; L439-V490 HydrophobicContact CD2-CG1 4.48Å
491	Y	96.8	Very high	94.8	Very high	7 Å²	7	39.6 Å²	39.6	3%	0.027	19%	0.193	C	C	.	.	S	Bend	trans	-96.3	-6.4	-172	-61.7	-43.5	0	0	0	115.5	L407 P410 L411 P416 L419 P420 L425 L430 Y510	L407-Y491 HydrophobicContact CD2-CD2 3.41Å; L407-Y491 VanDerWaalsContact CD2-CD2 3.41Å; L407-Y491 HydrophobicContact CD2-CE2 3.53Å; L407-Y491 HydrophobicContact CD2-CG 4.45Å; P410-Y491 VanDerWaalsContact CA-OH 3.31Å; P410-Y491 WeakPolarHBondContact CA-OH 3.45Å; P410-Y491 HydrophobicContact CB-CE1 4.27Å; L411-Y491 HydrophobicContact CG-CE2 4.23Å; L411-Y491 PolarHBondContact N-OH 2.97Å; P416-Y491 HydrophobicContact CB-CE1 4.46Å; P416-Y491 HydrophobicContact CG-CD1 3.93Å; P416-Y491 HydrophobicContact CG-CE1 3.53Å; L419-Y491 HydrophobicContact CD2-CG 4.47Å; P420-Y491 HydrophobicContact CG-CD2 4.13Å; P420-Y491 HydrophobicContact CG-CE1 4.35Å; P420-Y491 HydrophobicContact CG-CE2 3.52Å; L425-Y491 HydrophobicContact CD2-CD2 4.27Å; L425-Y491 HydrophobicContact CD2-CE2 4.13Å; L430-Y491 HydrophobicContact CD2-CD2 4.46Å; Y491-Y510 CarbonylContact C-O 3.47Å; Y491-Y510 CarbonylContact O-C 3.56Å; Y491-Y510 WeakPolarHBondContact O-CA 3.41Å; Y491-Y510 VanDerWaalsContact O-O 3.09Å
492	C	97.1	Very high	95	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.007	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	50.7	-177.7	-58.3	0	0	0	0	111.3	K432 S494 M512	K432-C492 WeakPolarHBondContact CA-O 3.3Å; K432-C492 HydrophobicContact CB-CB 3.73Å; K432-C492 HydrophobicContact CG-CB 4.4Å; C492-S494 PolarHBondContact O-N 3.36Å; C492-M512 HydrophobicContact CB-CE 4.4Å; C492-M512 HydrophobicContact CB-SD 4.39Å
493	K	96.9	Very high	95	Very high	27 Å²	27	42.4 Å²	42.4	12%	0.117	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	117.9	178.5	178	-179.6	167.8	-161.8	0	109.7	K435 G437 V489 V495 Y510 E511 M512	K435-K493 HydrophobicContact CB-CD 4.14Å; K435-K493 HydrophobicContact CB-CG 3.93Å; K435-K493 HydrophobicContact CD-CD 4.44Å; G437-K493 WeakPolarHBondContact O-CE 3.43Å; G437-K493 PolarHBondContact O-NZ 3.3Å; V489-K493 HydrophobicContact CG1-CB 4.21Å; K493-V495 HydrophobicContact CD-CG1 4.3Å; K493-V495 HydrophobicContact CG-CG1 4.1Å; K493-Y510 HydrophobicContact CB-CD2 4.17Å; K493-Y510 WeakPolarHBondContact CB-O 3.45Å; K493-Y510 HydrophobicContact CD-CD2 4.45Å; K493-Y510 HydrophobicContact CD-CE2 4.12Å; K493-Y510 PolarHBondContact N-O 2.77Å; K493-E511 HydrophobicContact CB-CG 4.43Å; K493-E511 HydrophobicContact CD-CG 4.01Å; K493-E511 HydrophobicContact CG-CG 4.44Å; K493-E511 IonicContact NZ-OE1 2.73Å; K493-E511 PolarHBondContact NZ-OE1 2.97Å; K493-E511 WeakPolarHBondContact O-CA 3.29Å; K493-M512 WeakPolarHBondContact O-CG 3.17Å; K493-M512 PolarHBondContact O-N 3.39Å
494	S	95.3	Very high	94.9	Very high	25 Å²	25	42 Å²	42	18%	0.175	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	125.7	176.7	-60	0	0	0	0	110.7	K432 A433 C492	K432-S494 WeakPolarHBondContact CE-OG 3.39Å; K432-S494 VanDerWaalsContact CG-OG 3.3Å; K432-S494 WeakPolarHBondContact CG-OG 3.46Å; A433-S494 PolarHBondContact O-N 3.23Å; C492-S494 PolarHBondContact O-N 3.36Å
495	V	94.8	Very high	94.6	Very high	45 Å²	45	41 Å²	41	27%	0.273	21%	0.206	S	C	.	.			trans	-133.3	152	177.3	-59.6	0	0	0	0	111.5	K493 E511 M512 S513	K493-V495 HydrophobicContact CD-CG1 4.3Å; K493-V495 HydrophobicContact CG-CG1 4.1Å; V495-E511 HydrophobicContact CG1-CB 4.18Å; V495-E511 HydrophobicContact CG1-CG 3.98Å; V495-E511 HydrophobicContact CG2-CB 3.95Å; V495-M512 PolarHBondContact N-O 3.03Å; V495-S513 PolarHBondContact O-OG 2.89Å
496	H	93.1	Very high	94.4	Very high	68 Å²	68	46.9 Å²	46.9	32%	0.315	23%	0.234	S	C	.	.			trans	-66.6	142.2	172.3	-178.1	-87.9	0	0	0	110.5	D455 H498	D455-H496 IonicContact OD1-CD2 3.73Å; D455-H496 IonicContact OD2-CD2 3.21Å; H496-H498 AromaticContact ND1-CE1 3.38Å; H496-H498 PolarHBondContact ND1-CE1 2.97Å; H496-H498 AromaticContact ND1-ND1 3.6Å; H496-H498 AromaticContact ND1-NE2 3.71Å; H496-H498 PolarHBondContact O-CD2 3.03Å; H496-H498 VanDerWaalsContact O-CD2 3.31Å
497	F	95.1	Very high	94.1	Very high	28 Å²	28	47.3 Å²	47.3	12%	0.123	24%	0.237	C	C	.	.			trans	-86.1	114.4	-178.9	-178.2	-106.4	0	0	0	111.5	G499 F500 A503 F515 L523	F497-G499 VanDerWaalsContact CE1-CA 3.44Å; F497-G499 VanDerWaalsContact CZ-C 3.42Å; F497-F500 HydrophobicContact CE2-CD1 4.06Å; F497-F500 HydrophobicContact CE2-CE1 4.09Å; F497-F500 AromaticContact CZ-CD1 3.65Å; F497-F500 HydrophobicContact CZ-CD1 3.65Å; F497-F500 HydrophobicContact CZ-CD2 4.21Å; F497-F500 AromaticContact CZ-CE1 3.63Å; F497-F500 HydrophobicContact CZ-CE1 3.63Å; F497-F500 HydrophobicContact CZ-CE2 4.21Å; F497-F500 AromaticContact CZ-CG 3.93Å; F497-F500 HydrophobicContact CZ-CG 3.93Å; F497-F500 AromaticContact CZ-CZ 3.93Å; F497-F500 HydrophobicContact CZ-CZ 3.93Å; F497-A503 HydrophobicContact CE2-CB 4.25Å; F497-F515 HydrophobicContact CB-CE1 3.73Å; F497-F515 HydrophobicContact CB-CZ 3.98Å; F497-F515 AromaticContact CD1-CE1 3.73Å; F497-F515 HydrophobicContact CD1-CE1 3.73Å; F497-F515 HydrophobicContact CD1-CZ 4.13Å; F497-F515 HydrophobicContact CD2-CE1 4.14Å; F497-F515 AromaticContact CD2-CZ 3.72Å; F497-F515 HydrophobicContact CD2-CZ 3.72Å; F497-F515 HydrophobicContact CE1-CE1 4.33Å; F497-F515 HydrophobicContact CE2-CZ 4.19Å; F497-F515 AromaticContact CG-CE1 3.6Å; F497-F515 HydrophobicContact CG-CE1 3.6Å; F497-F515 AromaticContact CG-CZ 3.68Å; F497-F515 HydrophobicContact CG-CZ 3.68Å; F497-L523 HydrophobicContact CD1-CD1 4.45Å; F497-L523 HydrophobicContact CE1-CD1 4.07Å; F497-L523 HydrophobicContact CE1-CD2 4.24Å
498	H	93.9	Very high	94.1	Very high	123 Å²	123	48.1 Å²	48.1	57%	0.569	24%	0.237	S	C	*	.			trans	-99.4	18.3	179.9	-61.7	-75.2	0	0	0	114.2	H496 H502	H496-H498 AromaticContact ND1-CE1 3.38Å; H496-H498 PolarHBondContact ND1-CE1 2.97Å; H496-H498 AromaticContact ND1-ND1 3.6Å; H496-H498 AromaticContact ND1-NE2 3.71Å; H496-H498 PolarHBondContact O-CD2 3.03Å; H496-H498 VanDerWaalsContact O-CD2 3.31Å; H498-H502 HydrophobicContact CB-CB 3.99Å
499	G	95.3	Very high	94	Very high	24 Å²	24	48.4 Å²	48.4	25%	0.247	24%	0.239	C	C	.	.			trans	99.7	160	-178.9	0	0	0	0	0	113.8	F497 E501 H502 A503	F497-G499 VanDerWaalsContact CE1-CA 3.44Å; F497-G499 VanDerWaalsContact CZ-C 3.42Å; G499-E501 VanDerWaalsContact C-N 3.31Å; G499-E501 PolarHBondContact O-N 3.43Å; G499-H502 PolarHBondContact O-N 2.77Å; G499-A503 PolarHBondContact O-N 3.07Å
500	F	95.4	Very high	93.9	Very high	27 Å²	27	48.6 Å²	48.6	12%	0.118	24%	0.24	C	C	.	.	H	α-helix	trans	-65.9	-30.4	-174.2	-66.8	-63.1	0	0	0	113.7	F497 A503 R504 L523 A527 E530 F531 C534	F497-F500 HydrophobicContact CE2-CD1 4.06Å; F497-F500 HydrophobicContact CE2-CE1 4.09Å; F497-F500 AromaticContact CZ-CD1 3.65Å; F497-F500 HydrophobicContact CZ-CD1 3.65Å; F497-F500 HydrophobicContact CZ-CD2 4.21Å; F497-F500 AromaticContact CZ-CE1 3.63Å; F497-F500 HydrophobicContact CZ-CE1 3.63Å; F497-F500 HydrophobicContact CZ-CE2 4.21Å; F497-F500 AromaticContact CZ-CG 3.93Å; F497-F500 HydrophobicContact CZ-CG 3.93Å; F497-F500 AromaticContact CZ-CZ 3.93Å; F497-F500 HydrophobicContact CZ-CZ 3.93Å; F500-A503 PolarHBondContact O-N 3.41Å; F500-R504 VanDerWaalsContact O-CB 3.26Å; F500-R504 WeakPolarHBondContact O-CB 3.35Å; F500-R504 PolarHBondContact O-N 3.12Å; F500-L523 HydrophobicContact CE2-CB 4.32Å; F500-L523 HydrophobicContact CE2-CD2 3.94Å; F500-L523 HydrophobicContact CZ-CB 4.18Å; F500-L523 HydrophobicContact CZ-CD1 4.49Å; F500-L523 HydrophobicContact CZ-CD2 4.34Å; F500-A527 HydrophobicContact CD2-CB 3.85Å; F500-A527 HydrophobicContact CE2-CB 3.71Å; F500-E530 HydrophobicContact CB-CB 3.83Å; F500-E530 HydrophobicContact CD1-CB 4.34Å; F500-E530 HydrophobicContact CD2-CB 3.9Å; F500-E530 HydrophobicContact CG-CB 3.76Å; F500-F531 HydrophobicContact CE1-CB 3.79Å; F500-F531 HydrophobicContact CE1-CD1 4.46Å; F500-F531 AromaticContact CE1-CD2 3.58Å; F500-F531 HydrophobicContact CE1-CD2 3.58Å; F500-F531 HydrophobicContact CE1-CE2 4.24Å; F500-F531 AromaticContact CE1-CG 3.71Å; F500-F531 HydrophobicContact CE1-CG 3.71Å; F500-F531 HydrophobicContact CE2-CB 4.43Å; F500-F531 HydrophobicContact CZ-CB 3.59Å; F500-F531 AromaticContact CZ-CD1 3.88Å; F500-F531 HydrophobicContact CZ-CD1 3.88Å; F500-F531 AromaticContact CZ-CD2 3.84Å; F500-F531 HydrophobicContact CZ-CD2 3.84Å; F500-F531 HydrophobicContact CZ-CE1 4.49Å; F500-F531 HydrophobicContact CZ-CE2 4.45Å; F500-F531 AromaticContact CZ-CG 3.51Å; F500-F531 HydrophobicContact CZ-CG 3.51Å; F500-C534 HydrophobicContact CD1-CB 3.9Å; F500-C534 HydrophobicContact CE1-CB 4.12Å
501	E	93.9	Very high	93.9	Very high	112 Å²	112	49.6 Å²	49.6	52%	0.523	24%	0.244	S	C	.	.	H	α-helix	trans	-67.8	-41.4	177.1	-177.4	56.7	-161.5	0	0	112	G499 R504 S505	G499-E501 VanDerWaalsContact C-N 3.31Å; G499-E501 PolarHBondContact O-N 3.43Å; E501-R504 PolarHBondContact O-N 3.37Å; E501-R504 IonicContact OE1-CZ 3.18Å; E501-R504 IonicContact OE1-NH2 3.66Å; E501-R504 PolarHBondContact OE1-NH2 3.4Å; E501-R504 IonicContact OE2-CZ 2.92Å; E501-R504 IonicContact OE2-NE 3.78Å; E501-R504 PolarHBondContact OE2-NE 2.67Å; E501-R504 VanDerWaalsContact OE2-NE 3.17Å; E501-R504 IonicContact OE2-NH2 3.21Å; E501-R504 PolarHBondContact OE2-NH2 3.36Å; E501-S505 WeakPolarHBondContact O-CB 3.23Å; E501-S505 PolarHBondContact O-N 3.45Å; E501-S505 PolarHBondContact O-OG 3.39Å
502	H	93.4	Very high	93.9	Very high	77 Å²	77	49.4 Å²	49.4	36%	0.356	24%	0.243	S	C	.	.	H	α-helix	trans	-64.8	-46.9	172.4	177.2	88	0	0	0	110.8	H498 G499 R504 S505 Q506 A507	H498-H502 HydrophobicContact CB-CB 3.99Å; G499-H502 PolarHBondContact O-N 2.77Å; H502-R504 VanDerWaalsContact C-N 3.28Å; H502-R504 PolarHBondContact O-N 3.19Å; H502-S505 PolarHBondContact O-N 3.05Å; H502-Q506 PolarHBondContact O-N 2.71Å; H502-A507 PolarHBondContact O-N 3Å
503	A	92.3	Very high	93.9	Very high	5 Å²	5	49.7 Å²	49.7	4%	0.041	25%	0.246	C	C	.	.	H	α-helix	trans	-54.7	-46	177.5	0	0	0	0	0	111.1	F497 G499 F500 A507 R537 Q538	F497-A503 HydrophobicContact CE2-CB 4.25Å; G499-A503 PolarHBondContact O-N 3.07Å; F500-A503 PolarHBondContact O-N 3.41Å; A503-A507 WeakPolarHBondContact O-CB 3.28Å; A503-A507 PolarHBondContact O-N 3.04Å; A503-R537 PolarHBondContact O-NH2 2.9Å; A503-Q538 PolarHBondContact O-OE1 2.91Å
504	R	89.5	Confident	93.9	Very high	146 Å²	146	50.1 Å²	50.1	55%	0.551	25%	0.252	S	S	*	.	H	α-helix	trans	-66.7	-43.6	-179.6	-172.9	178.2	68.4	89.8	1	113.6	F500 E501 H502 R537	F500-R504 VanDerWaalsContact O-CB 3.26Å; F500-R504 WeakPolarHBondContact O-CB 3.35Å; F500-R504 PolarHBondContact O-N 3.12Å; E501-R504 PolarHBondContact O-N 3.37Å; E501-R504 IonicContact OE1-CZ 3.18Å; E501-R504 IonicContact OE1-NH2 3.66Å; E501-R504 PolarHBondContact OE1-NH2 3.4Å; E501-R504 IonicContact OE2-CZ 2.92Å; E501-R504 IonicContact OE2-NE 3.78Å; E501-R504 PolarHBondContact OE2-NE 2.67Å; E501-R504 VanDerWaalsContact OE2-NE 3.17Å; E501-R504 IonicContact OE2-NH2 3.21Å; E501-R504 PolarHBondContact OE2-NH2 3.36Å; H502-R504 VanDerWaalsContact C-N 3.28Å; H502-R504 PolarHBondContact O-N 3.19Å; R504-R537 PolarHBondContact O-NH1 3.24Å; R504-R537 PolarHBondContact O-NH2 2.8Å
505	S	90.2	Very high	94	Very high	60 Å²	60	49 Å²	49	42%	0.42	24%	0.244	S	C	.	.	H	α-helix	trans	-95.6	-27.6	-169	62	0	0	0	0	115	E501 H502	E501-S505 WeakPolarHBondContact O-CB 3.23Å; E501-S505 PolarHBondContact O-N 3.45Å; E501-S505 PolarHBondContact O-OG 3.39Å; H502-S505 PolarHBondContact O-N 3.05Å
506	Q	89.5	Confident	94.1	Very high	125 Å²	125	48.5 Å²	48.5	58%	0.584	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.5	-38.6	-171.8	-58.4	-57.7	-56.1	0	0	113.4	H502	H502-Q506 PolarHBondContact O-N 2.71Å
507	A	89.6	Confident	94.2	Very high	9 Å²	9	46 Å²	46	7%	0.074	23%	0.231	C	C	.	.			trans	-70.8	142.3	-171.1	0	0	0	0	0	112.8	H502 A503 R537 Q538	H502-A507 PolarHBondContact O-N 3Å; A503-A507 WeakPolarHBondContact O-CB 3.28Å; A503-A507 PolarHBondContact O-N 3.04Å; A507-R537 PolarHBondContact O-NH2 3.4Å; A507-Q538 VanDerWaalsContact CB-NE2 3.34Å
508	K	93.8	Very high	94.2	Very high	95 Å²	95	48.1 Å²	48.1	41%	0.413	25%	0.249	S	C	.	.			trans	-84.6	156.9	-179.9	-53.7	-60.4	-171	176.7	0	111.3	E440 Y510 E511 Q538	E440-K508 WeakPolarHBondContact OE1-CE 3.25Å; E440-K508 IonicContact OE1-NZ 3.25Å; K508-Y510 HydrophobicContact CB-CD1 3.82Å; K508-Y510 HydrophobicContact CB-CD2 4.44Å; K508-Y510 HydrophobicContact CB-CE1 3.49Å; K508-Y510 VanDerWaalsContact CB-CE1 3.49Å; K508-Y510 HydrophobicContact CB-CE2 4.13Å; K508-Y510 HydrophobicContact CB-CG 4.29Å; K508-Y510 HydrophobicContact CG-CE1 3.88Å; K508-Y510 HydrophobicContact CG-CE2 4.48Å; K508-Y510 PolarHBondContact O-N 3.23Å; K508-E511 HydrophobicContact CB-CG 4.15Å; K508-E511 PolarHBondContact N-OE2 3.36Å; K508-E511 WeakPolarHBondContact O-CB 3.37Å; K508-E511 PolarHBondContact O-N 2.92Å; K508-Q538 PolarHBondContact O-NE2 3.4Å
509	C	94.1	Very high	94.4	Very high	8 Å²	8	46 Å²	46	5%	0.054	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.4	-179.2	68.9	0	0	0	0	113.4	P416 L419 E511 R537	P416-C509 PolarHBondContact O-SG 3.18Å; P416-C509 VanDerWaalsContact O-SG 3.39Å; L419-C509 HydrophobicContact CG-CB 4.41Å; C509-E511 VanDerWaalsContact C-N 3.31Å; C509-R537 HydrophobicContact CB-CG 4.29Å
510	Y	95.3	Very high	94.5	Very high	3 Å²	3	44.8 Å²	44.8	1%	0.012	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-1.7	176.8	61.9	-100.8	0	0	0	113.9	I415 P416 L439 E440 Y491 K493 K508	I415-Y510 HydrophobicContact CG2-CD1 4.48Å; I415-Y510 HydrophobicContact CG2-CE1 3.9Å; P416-Y510 HydrophobicContact CG-CD1 4.41Å; L439-Y510 HydrophobicContact CB-CE1 4.27Å; L439-Y510 HydrophobicContact CD1-CD1 3.65Å; L439-Y510 HydrophobicContact CD1-CD2 4.11Å; L439-Y510 HydrophobicContact CD1-CE1 3.81Å; L439-Y510 HydrophobicContact CD1-CE2 4.29Å; L439-Y510 HydrophobicContact CD1-CG 3.81Å; L439-Y510 HydrophobicContact CG-CD1 4.35Å; L439-Y510 HydrophobicContact CG-CD2 4.22Å; L439-Y510 HydrophobicContact CG-CE1 4.1Å; L439-Y510 HydrophobicContact CG-CE2 4Å; L439-Y510 HydrophobicContact CG-CG 4.4Å; L439-Y510 PolarHBondContact N-OH 2.8Å; E440-Y510 VanDerWaalsContact CD-OH 3.3Å; E440-Y510 PolarHBondContact OE1-OH 3.39Å; E440-Y510 VanDerWaalsContact OE1-OH 3.14Å; E440-Y510 PolarHBondContact OE2-OH 2.89Å; Y491-Y510 CarbonylContact C-O 3.47Å; Y491-Y510 CarbonylContact O-C 3.56Å; Y491-Y510 WeakPolarHBondContact O-CA 3.41Å; Y491-Y510 VanDerWaalsContact O-O 3.09Å; K493-Y510 HydrophobicContact CB-CD2 4.17Å; K493-Y510 WeakPolarHBondContact CB-O 3.45Å; K493-Y510 HydrophobicContact CD-CD2 4.45Å; K493-Y510 HydrophobicContact CD-CE2 4.12Å; K493-Y510 PolarHBondContact N-O 2.77Å; K508-Y510 HydrophobicContact CB-CD1 3.82Å; K508-Y510 HydrophobicContact CB-CD2 4.44Å; K508-Y510 HydrophobicContact CB-CE1 3.49Å; K508-Y510 VanDerWaalsContact CB-CE1 3.49Å; K508-Y510 HydrophobicContact CB-CE2 4.13Å; K508-Y510 HydrophobicContact CB-CG 4.29Å; K508-Y510 HydrophobicContact CG-CE1 3.88Å; K508-Y510 HydrophobicContact CG-CE2 4.48Å; K508-Y510 PolarHBondContact O-N 3.23Å
511	E	96.3	Very high	94.5	Very high	27 Å²	27	47.1 Å²	47.1	13%	0.126	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	132.1	173.5	-69.2	178.3	152.3	0	0	109.9	K493 V495 K508 C509 Q538	K493-E511 HydrophobicContact CB-CG 4.43Å; K493-E511 HydrophobicContact CD-CG 4.01Å; K493-E511 HydrophobicContact CG-CG 4.44Å; K493-E511 IonicContact NZ-OE1 2.73Å; K493-E511 PolarHBondContact NZ-OE1 2.97Å; K493-E511 WeakPolarHBondContact O-CA 3.29Å; V495-E511 HydrophobicContact CG1-CB 4.18Å; V495-E511 HydrophobicContact CG1-CG 3.98Å; V495-E511 HydrophobicContact CG2-CB 3.95Å; K508-E511 HydrophobicContact CB-CG 4.15Å; K508-E511 PolarHBondContact N-OE2 3.36Å; K508-E511 WeakPolarHBondContact O-CB 3.37Å; K508-E511 PolarHBondContact O-N 2.92Å; C509-E511 VanDerWaalsContact C-N 3.31Å; E511-Q538 PolarHBondContact O-NE2 3.03Å
512	M	96.8	Very high	94.6	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	154.2	-178.4	59.5	144.8	49.1	0	0	112.4	K432 C492 K493 V495 L539 I566	K432-M512 HydrophobicContact CB-SD 4.44Å; K432-M512 HydrophobicContact CD-SD 3.56Å; K432-M512 VanDerWaalsContact CD-SD 3.56Å; K432-M512 HydrophobicContact CG-SD 3.64Å; C492-M512 HydrophobicContact CB-CE 4.4Å; C492-M512 HydrophobicContact CB-SD 4.39Å; K493-M512 WeakPolarHBondContact O-CG 3.17Å; K493-M512 PolarHBondContact O-N 3.39Å; V495-M512 PolarHBondContact N-O 3.03Å; M512-L539 WeakPolarHBondContact CA-O 3.46Å; M512-L539 HydrophobicContact CB-CB 4.05Å; M512-L539 WeakPolarHBondContact CB-O 3.41Å; M512-L539 HydrophobicContact CE-CB 3.34Å; M512-L539 HydrophobicContact CE-CD1 3.7Å; M512-L539 HydrophobicContact CE-CG 4.17Å; M512-I566 HydrophobicContact CE-CD1 3.62Å
513	S	97.4	Very high	94.8	Very high	8 Å²	8	46.3 Å²	46.3	6%	0.056	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	148.3	177.6	-62.6	0	0	0	0	111.4	V495 C540 R541	V495-S513 PolarHBondContact O-OG 2.89Å; S513-C540 WeakPolarHBondContact O-CA 3.34Å; S513-R541 PolarHBondContact O-N 2.85Å
514	S	97.4	Very high	95	Very high	36 Å²	36	46.9 Å²	46.9	25%	0.252	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.8	175.4	-59.4	0	0	0	0	110	K432 R541	K432-S514 WeakPolarHBondContact CE-OG 3.47Å; S514-R541 CarbonylContact C-O 3.55Å; S514-R541 VanDerWaalsContact CA-O 3.28Å; S514-R541 WeakPolarHBondContact CA-O 3.4Å
515	F	97.5	Very high	95.3	Very high	1 Å²	1	47.7 Å²	47.7	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	134	-176.2	-54.2	-82.7	0	0	0	111.1	F497 K519 A520 L523 F531 C540 R541 T542 Y543	F497-F515 HydrophobicContact CB-CE1 3.73Å; F497-F515 HydrophobicContact CB-CZ 3.98Å; F497-F515 AromaticContact CD1-CE1 3.73Å; F497-F515 HydrophobicContact CD1-CE1 3.73Å; F497-F515 HydrophobicContact CD1-CZ 4.13Å; F497-F515 HydrophobicContact CD2-CE1 4.14Å; F497-F515 AromaticContact CD2-CZ 3.72Å; F497-F515 HydrophobicContact CD2-CZ 3.72Å; F497-F515 HydrophobicContact CE1-CE1 4.33Å; F497-F515 HydrophobicContact CE2-CZ 4.19Å; F497-F515 AromaticContact CG-CE1 3.6Å; F497-F515 HydrophobicContact CG-CE1 3.6Å; F497-F515 AromaticContact CG-CZ 3.68Å; F497-F515 HydrophobicContact CG-CZ 3.68Å; F515-K519 HydrophobicContact CD1-CD 4.02Å; F515-K519 HydrophobicContact CD1-CG 4.13Å; F515-A520 HydrophobicContact CB-CB 3.85Å; F515-L523 HydrophobicContact CD1-CD1 3.82Å; F515-L523 HydrophobicContact CE1-CD1 3.62Å; F515-L523 HydrophobicContact CZ-CD1 4.28Å; F515-F531 HydrophobicContact CD2-CZ 4.2Å; F515-F531 HydrophobicContact CE2-CE2 4.27Å; F515-F531 HydrophobicContact CE2-CZ 4.03Å; F515-C540 HydrophobicContact CE2-CB 4.13Å; F515-R541 PolarHBondContact N-O 3.27Å; F515-T542 VanDerWaalsContact O-CA 3.3Å; F515-T542 WeakPolarHBondContact O-CA 3.35Å; F515-Y543 WeakPolarHBondContact O-CD1 3.31Å; F515-Y543 VanDerWaalsContact O-CE1 3.31Å; F515-Y543 WeakPolarHBondContact O-CE1 3.16Å; F515-Y543 PolarHBondContact O-N 3.5Å; F515-Y543 VanDerWaalsContact O-N 3.12Å
516	S	96.9	Very high	95.5	Very high	35 Å²	35	50 Å²	50	25%	0.245	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	152.3	164	67.1	0	0	0	0	110.2	S518 K519 A520	S516-S518 PolarHBondContact O-N 3.38Å; S516-S518 VanDerWaalsContact O-N 3.1Å; S516-K519 PolarHBondContact O-N 2.68Å; S516-K519 VanDerWaalsContact O-N 3.08Å; S516-A520 WeakPolarHBondContact O-CB 3.38Å; S516-A520 PolarHBondContact O-N 3.45Å
517	E	95.2	Very high	95.8	Very high	15 Å²	15	44.7 Å²	44.7	7%	0.07	23%	0.229	C	C	.	.	H	α-helix	trans	-51.9	-37.7	-179.4	71.8	-178.9	-123.3	0	0	112.9	K521 Y543 P544 S545 R548 Y554	E517-K521 VanDerWaalsContact O-CB 3.28Å; E517-K521 WeakPolarHBondContact O-CB 3.43Å; E517-K521 WeakPolarHBondContact O-CG 3.32Å; E517-K521 PolarHBondContact O-N 2.87Å; E517-Y543 PolarHBondContact N-O 3.47Å; E517-P544 WeakPolarHBondContact OE2-CA 3.4Å; E517-S545 PolarHBondContact OE2-N 3.43Å; E517-R548 VanDerWaalsContact CD-NE 3.28Å; E517-R548 IonicContact OE1-CZ 3.64Å; E517-R548 IonicContact OE1-NE 2.81Å; E517-R548 PolarHBondContact OE1-NE 2.86Å; E517-R548 IonicContact OE1-NH2 3.6Å; E517-R548 PolarHBondContact OE1-NH2 2.92Å; E517-R548 WeakPolarHBondContact OE2-CD 3.35Å; E517-R548 IonicContact OE2-CZ 3.88Å; E517-R548 IonicContact OE2-NE 2.75Å; E517-R548 PolarHBondContact OE2-NE 3.35Å; E517-R548 IonicContact OE2-NH2 2.84Å; E517-Y554 HydrophobicContact CB-CD1 4.03Å; E517-Y554 HydrophobicContact CB-CD2 4.29Å; E517-Y554 HydrophobicContact CB-CG 3.89Å; E517-Y554 WeakPolarHBondContact OE2-CB 3.36Å
518	S	95.2	Very high	96.1	Very high	73 Å²	73	44.6 Å²	44.6	51%	0.51	23%	0.229	S	C	.	.	H	α-helix	trans	-68	-44.6	-179.4	-56.6	0	0	0	0	111.6	S516 K522	S516-S518 PolarHBondContact O-N 3.38Å; S516-S518 VanDerWaalsContact O-N 3.1Å; S518-K522 WeakPolarHBondContact O-CB 3.38Å; S518-K522 PolarHBondContact O-N 3.02Å; S518-K522 VanDerWaalsContact O-N 3.09Å
519	K	96.8	Very high	96.2	Very high	77 Å²	77	41.4 Å²	41.4	34%	0.335	22%	0.218	S	C	.	.	H	α-helix	trans	-66.9	-44	177.9	-174	172.9	179.6	177.7	0	110.6	F515 S516 K522 L523	F515-K519 HydrophobicContact CD1-CD 4.02Å; F515-K519 HydrophobicContact CD1-CG 4.13Å; S516-K519 PolarHBondContact O-N 2.68Å; S516-K519 VanDerWaalsContact O-N 3.08Å; K519-K522 PolarHBondContact O-N 3.15Å; K519-L523 HydrophobicContact CG-CD1 4.34Å; K519-L523 WeakPolarHBondContact O-CG 3.25Å; K519-L523 PolarHBondContact O-N 3.42Å
520	A	97.1	Very high	96.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.5	-45.3	178.9	0	0	0	0	0	112.1	F515 S516 K522 L523 A524 T542 M559	F515-A520 HydrophobicContact CB-CB 3.85Å; S516-A520 WeakPolarHBondContact O-CB 3.38Å; S516-A520 PolarHBondContact O-N 3.45Å; A520-K522 VanDerWaalsContact C-N 3.33Å; A520-K522 PolarHBondContact O-N 3.4Å; A520-L523 PolarHBondContact O-N 2.75Å; A520-A524 WeakPolarHBondContact O-CB 3.17Å; A520-A524 PolarHBondContact O-N 2.94Å; A520-T542 HydrophobicContact CB-CG2 3.71Å; A520-M559 HydrophobicContact CB-SD 3.44Å; A520-M559 WeakPolarHBondContact CB-SD 3.32Å
521	K	96.4	Very high	96.4	Very high	76 Å²	76	44.6 Å²	44.6	33%	0.33	23%	0.233	S	C	.	.	H	α-helix	trans	-60.2	-41.3	175	-77.9	175.8	176.9	-179.8	0	112.6	E517 A524 K525 M559	E517-K521 VanDerWaalsContact O-CB 3.28Å; E517-K521 WeakPolarHBondContact O-CB 3.43Å; E517-K521 WeakPolarHBondContact O-CG 3.32Å; E517-K521 PolarHBondContact O-N 2.87Å; K521-A524 PolarHBondContact O-N 2.85Å; K521-K525 WeakPolarHBondContact O-CB 3.28Å; K521-K525 PolarHBondContact O-N 3.21Å; K521-M559 HydrophobicContact CG-CE 3.67Å
522	K	96.9	Very high	96.5	Very high	138 Å²	138	43.3 Å²	43.3	60%	0.6	23%	0.227	S	C	*	.	H	α-helix	trans	-61.7	-48.8	175.5	-175	178.6	179.4	-176.9	0	111.3	S518 K519 A520 A524 K525 D526	S518-K522 WeakPolarHBondContact O-CB 3.38Å; S518-K522 PolarHBondContact O-N 3.02Å; S518-K522 VanDerWaalsContact O-N 3.09Å; K519-K522 PolarHBondContact O-N 3.15Å; A520-K522 VanDerWaalsContact C-N 3.33Å; A520-K522 PolarHBondContact O-N 3.4Å; K522-A524 VanDerWaalsContact C-N 3.35Å; K522-A524 PolarHBondContact O-N 2.84Å; K522-K525 PolarHBondContact O-N 3.44Å; K522-D526 WeakPolarHBondContact CE-OD2 3.35Å; K522-D526 WeakPolarHBondContact CG-OD2 3.12Å; K522-D526 WeakPolarHBondContact O-CB 3.43Å; K522-D526 VanDerWaalsContact O-CG 3.26Å; K522-D526 PolarHBondContact O-N 3.09Å
523	L	97.3	Very high	96.5	Very high	34 Å²	34	47.2 Å²	47.2	18%	0.178	24%	0.241	C	C	.	.	H	α-helix	trans	-62.3	-40.6	177.7	-69.5	171.4	0	0	0	112.6	F497 F500 F515 K519 A520 K525 D526 A527 F531	F497-L523 HydrophobicContact CD1-CD1 4.45Å; F497-L523 HydrophobicContact CE1-CD1 4.07Å; F497-L523 HydrophobicContact CE1-CD2 4.24Å; F500-L523 HydrophobicContact CE2-CB 4.32Å; F500-L523 HydrophobicContact CE2-CD2 3.94Å; F500-L523 HydrophobicContact CZ-CB 4.18Å; F500-L523 HydrophobicContact CZ-CD1 4.49Å; F500-L523 HydrophobicContact CZ-CD2 4.34Å; F515-L523 HydrophobicContact CD1-CD1 3.82Å; F515-L523 HydrophobicContact CE1-CD1 3.62Å; F515-L523 HydrophobicContact CZ-CD1 4.28Å; K519-L523 HydrophobicContact CG-CD1 4.34Å; K519-L523 WeakPolarHBondContact O-CG 3.25Å; K519-L523 PolarHBondContact O-N 3.42Å; A520-L523 PolarHBondContact O-N 2.75Å; L523-K525 VanDerWaalsContact C-N 3.31Å; L523-K525 PolarHBondContact O-N 3.19Å; L523-D526 PolarHBondContact O-N 3.37Å; L523-A527 CarbonylContact O-C 3.57Å; L523-A527 WeakPolarHBondContact O-CA 3.47Å; L523-A527 PolarHBondContact O-N 2.99Å; L523-F531 HydrophobicContact CB-CD1 4.05Å; L523-F531 HydrophobicContact CB-CE1 3.95Å
524	A	96.2	Very high	96.4	Very high	17 Å²	17	47.6 Å²	47.6	14%	0.14	24%	0.244	C	C	.	.	H	α-helix	trans	-61.5	-39.6	177.2	0	0	0	0	0	112.2	A520 K521 K522 G528 F531 V562	A520-A524 WeakPolarHBondContact O-CB 3.17Å; A520-A524 PolarHBondContact O-N 2.94Å; K521-A524 PolarHBondContact O-N 2.85Å; K522-A524 VanDerWaalsContact C-N 3.35Å; K522-A524 PolarHBondContact O-N 2.84Å; A524-G528 WeakPolarHBondContact O-CA 3.21Å; A524-G528 PolarHBondContact O-N 3.42Å; A524-G528 VanDerWaalsContact O-N 3.16Å; A524-F531 HydrophobicContact CB-CD1 4.48Å; A524-V562 HydrophobicContact CB-CG1 3.71Å; A524-V562 HydrophobicContact CB-CG2 4.3Å
525	K	95.2	Very high	96.4	Very high	162 Å²	162	45.9 Å²	45.9	70%	0.704	23%	0.232	S	C	*	.	H	α-helix	trans	-73.1	-44.5	176.9	-175.8	-176.8	178.4	-176.6	0	112.7	K521 K522 L523	K521-K525 WeakPolarHBondContact O-CB 3.28Å; K521-K525 PolarHBondContact O-N 3.21Å; K522-K525 PolarHBondContact O-N 3.44Å; L523-K525 VanDerWaalsContact C-N 3.31Å; L523-K525 PolarHBondContact O-N 3.19Å
526	D	95.5	Very high	96.4	Very high	108 Å²	108	46 Å²	46	58%	0.578	23%	0.233	S	C	*	.	H	α-helix	trans	-80.6	-30.4	-171.7	-65.9	-12.2	0	0	0	112	K522 L523	K522-D526 WeakPolarHBondContact CE-OD2 3.35Å; K522-D526 WeakPolarHBondContact CG-OD2 3.12Å; K522-D526 WeakPolarHBondContact O-CB 3.43Å; K522-D526 VanDerWaalsContact O-CG 3.26Å; K522-D526 PolarHBondContact O-N 3.09Å; L523-D526 PolarHBondContact O-N 3.37Å
527	A	95.8	Very high	96.3	Very high	15 Å²	15	48.1 Å²	48.1	12%	0.124	24%	0.235	C	C	.	.	H	α-helix	trans	-150.8	44.9	-171.4	0	0	0	0	0	112.5	F500 L523 S529 E530 F531	F500-A527 HydrophobicContact CD2-CB 3.85Å; F500-A527 HydrophobicContact CE2-CB 3.71Å; L523-A527 CarbonylContact O-C 3.57Å; L523-A527 WeakPolarHBondContact O-CA 3.47Å; L523-A527 PolarHBondContact O-N 2.99Å; A527-S529 VanDerWaalsContact C-N 3.3Å; A527-S529 PolarHBondContact O-N 3.02Å; A527-E530 HydrophobicContact CB-CB 4.43Å; A527-E530 PolarHBondContact O-N 2.98Å; A527-F531 PolarHBondContact O-N 3.31Å
528	G	95.5	Very high	96.4	Very high	6 Å²	6	47.7 Å²	47.7	6%	0.062	23%	0.234	C	C	.	.	H	α-helix	trans	-57.5	-37.3	-174.9	0	0	0	0	0	114.4	A524 F531 V532	A524-G528 WeakPolarHBondContact O-CA 3.21Å; A524-G528 PolarHBondContact O-N 3.42Å; A524-G528 VanDerWaalsContact O-N 3.16Å; G528-F531 PolarHBondContact O-N 3.21Å; G528-V532 WeakPolarHBondContact O-CG2 3.34Å; G528-V532 PolarHBondContact O-N 2.73Å
529	S	95.4	Very high	96.5	Very high	28 Å²	28	44.3 Å²	44.3	20%	0.196	21%	0.209	C	C	.	.	H	α-helix	trans	-67.7	-40.8	179.6	84.2	0	0	0	0	112.3	A527 F531 V532 R533	A527-S529 VanDerWaalsContact C-N 3.3Å; A527-S529 PolarHBondContact O-N 3.02Å; S529-F531 VanDerWaalsContact C-N 3.3Å; S529-V532 PolarHBondContact O-N 3.29Å; S529-R533 WeakPolarHBondContact O-CG 3.46Å; S529-R533 PolarHBondContact O-N 2.76Å
530	E	96.6	Very high	96.6	Very high	78 Å²	78	40.8 Å²	40.8	36%	0.364	19%	0.194	S	C	.	.	H	α-helix	trans	-68.4	-34.4	176.2	-60.8	96	117.2	0	0	111.2	F500 A527 R533 C534	F500-E530 HydrophobicContact CB-CB 3.83Å; F500-E530 HydrophobicContact CD1-CB 4.34Å; F500-E530 HydrophobicContact CD2-CB 3.9Å; F500-E530 HydrophobicContact CG-CB 3.76Å; A527-E530 HydrophobicContact CB-CB 4.43Å; A527-E530 PolarHBondContact O-N 2.98Å; E530-R533 PolarHBondContact O-N 3.16Å; E530-C534 WeakPolarHBondContact O-CB 3.48Å; E530-C534 PolarHBondContact O-N 3.38Å
531	F	97.4	Very high	96.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.4	-43.6	175.4	-151.5	167.1	0	0	0	111.6	F500 F515 L523 A524 A527 G528 S529 R533 C534 N535 C540 V562	F500-F531 HydrophobicContact CE1-CB 3.79Å; F500-F531 HydrophobicContact CE1-CD1 4.46Å; F500-F531 AromaticContact CE1-CD2 3.58Å; F500-F531 HydrophobicContact CE1-CD2 3.58Å; F500-F531 HydrophobicContact CE1-CE2 4.24Å; F500-F531 AromaticContact CE1-CG 3.71Å; F500-F531 HydrophobicContact CE1-CG 3.71Å; F500-F531 HydrophobicContact CE2-CB 4.43Å; F500-F531 HydrophobicContact CZ-CB 3.59Å; F500-F531 AromaticContact CZ-CD1 3.88Å; F500-F531 HydrophobicContact CZ-CD1 3.88Å; F500-F531 AromaticContact CZ-CD2 3.84Å; F500-F531 HydrophobicContact CZ-CD2 3.84Å; F500-F531 HydrophobicContact CZ-CE1 4.49Å; F500-F531 HydrophobicContact CZ-CE2 4.45Å; F500-F531 AromaticContact CZ-CG 3.51Å; F500-F531 HydrophobicContact CZ-CG 3.51Å; F515-F531 HydrophobicContact CD2-CZ 4.2Å; F515-F531 HydrophobicContact CE2-CE2 4.27Å; F515-F531 HydrophobicContact CE2-CZ 4.03Å; L523-F531 HydrophobicContact CB-CD1 4.05Å; L523-F531 HydrophobicContact CB-CE1 3.95Å; A524-F531 HydrophobicContact CB-CD1 4.48Å; A527-F531 PolarHBondContact O-N 3.31Å; G528-F531 PolarHBondContact O-N 3.21Å; S529-F531 VanDerWaalsContact C-N 3.3Å; F531-R533 VanDerWaalsContact C-N 3.34Å; F531-R533 PolarHBondContact O-N 2.99Å; F531-C534 WeakPolarHBondContact O-CB 3.45Å; F531-C534 PolarHBondContact O-N 2.89Å; F531-N535 VanDerWaalsContact CD2-ND2 3.25Å; F531-N535 WeakPolarHBondContact CD2-ND2 3.48Å; F531-N535 WeakPolarHBondContact CE2-ND2 3.27Å; F531-N535 WeakPolarHBondContact O-CB 3.18Å; F531-N535 PolarHBondContact O-N 2.86Å; F531-N535 PolarHBondContact O-ND2 2.77Å; F531-C540 HydrophobicContact CE2-CB 4.21Å; F531-V562 HydrophobicContact CB-CB 4.14Å; F531-V562 HydrophobicContact CB-CG1 4.45Å; F531-V562 HydrophobicContact CD1-CB 4.11Å; F531-V562 HydrophobicContact CD1-CG1 4.45Å; F531-V562 HydrophobicContact CD1-CG2 3.86Å; F531-V562 HydrophobicContact CE1-CG2 4.13Å; F531-V562 HydrophobicContact CG-CB 4.13Å; F531-V562 HydrophobicContact CG-CG2 4.22Å
532	V	97.4	Very high	96.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-56.2	-48	173.5	171.7	0	0	0	0	111.1	G528 S529 C534 N535 A536 V562 M600 F607	G528-V532 WeakPolarHBondContact O-CG2 3.34Å; G528-V532 PolarHBondContact O-N 2.73Å; S529-V532 PolarHBondContact O-N 3.29Å; V532-C534 PolarHBondContact O-N 3.37Å; V532-N535 CarbonylContact O-C 3.54Å; V532-N535 PolarHBondContact O-N 2.81Å; V532-A536 PolarHBondContact O-N 3.15Å; V532-V562 WeakPolarHBondContact CA-O 3.31Å; V532-V562 HydrophobicContact CG2-CB 4.43Å; V532-M600 HydrophobicContact CG1-CB 4.5Å; V532-M600 HydrophobicContact CG1-CG 4.23Å; V532-F607 HydrophobicContact CG1-CD1 4.28Å; V532-F607 HydrophobicContact CG2-CD1 4.01Å; V532-F607 HydrophobicContact CG2-CE1 4.34Å
533	R	96.3	Very high	96.8	Very high	85 Å²	85	34.5 Å²	34.5	32%	0.321	17%	0.165	S	C	.	.	H	α-helix	trans	-64.2	-40.2	179.3	-65.7	177.9	-169.4	134.8	8.9	112.5	S529 E530 F531 N535 A536 A603 S605	S529-R533 WeakPolarHBondContact O-CG 3.46Å; S529-R533 PolarHBondContact O-N 2.76Å; E530-R533 PolarHBondContact O-N 3.16Å; F531-R533 VanDerWaalsContact C-N 3.34Å; F531-R533 PolarHBondContact O-N 2.99Å; R533-N535 VanDerWaalsContact C-N 3.29Å; R533-N535 PolarHBondContact O-N 2.85Å; R533-A536 WeakPolarHBondContact O-CB 3.44Å; R533-A536 PolarHBondContact O-N 3.38Å; R533-A603 WeakPolarHBondContact CD-O 3.44Å; R533-A603 VanDerWaalsContact CG-O 3.31Å; R533-A603 WeakPolarHBondContact CG-O 3.46Å; R533-S605 VanDerWaalsContact CZ-O 3.29Å; R533-S605 PolarHBondContact NE-O 3.42Å; R533-S605 PolarHBondContact NH2-O 3.3Å
534	C	96.4	Very high	96.7	Very high	15 Å²	15	33 Å²	33	10%	0.101	16%	0.158	C	C	.	.	H	α-helix	trans	-57.5	-46.4	173.5	-176.9	0	0	0	0	110.7	F500 E530 F531 V532 A536 R537 Q538	F500-C534 HydrophobicContact CD1-CB 3.9Å; F500-C534 HydrophobicContact CE1-CB 4.12Å; E530-C534 WeakPolarHBondContact O-CB 3.48Å; E530-C534 PolarHBondContact O-N 3.38Å; F531-C534 WeakPolarHBondContact O-CB 3.45Å; F531-C534 PolarHBondContact O-N 2.89Å; V532-C534 PolarHBondContact O-N 3.37Å; C534-A536 VanDerWaalsContact C-N 3.26Å; C534-A536 PolarHBondContact O-N 3.34Å; C534-R537 PolarHBondContact O-N 2.93Å; C534-R537 VanDerWaalsContact O-N 3.12Å; C534-Q538 PolarHBondContact O-N 2.85Å
535	N	97.8	Very high	96.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-73.1	-10.7	-179.7	-73	-34.4	0	0	0	114.3	S296 F531 V532 R533 R537 C540 V562 G563 C564 Q565 K596	S296-N535 VanDerWaalsContact O-O 3.09Å; F531-N535 VanDerWaalsContact CD2-ND2 3.25Å; F531-N535 WeakPolarHBondContact CD2-ND2 3.48Å; F531-N535 WeakPolarHBondContact CE2-ND2 3.27Å; F531-N535 WeakPolarHBondContact O-CB 3.18Å; F531-N535 PolarHBondContact O-N 2.86Å; F531-N535 PolarHBondContact O-ND2 2.77Å; V532-N535 CarbonylContact O-C 3.54Å; V532-N535 PolarHBondContact O-N 2.81Å; R533-N535 VanDerWaalsContact C-N 3.29Å; R533-N535 PolarHBondContact O-N 2.85Å; N535-R537 VanDerWaalsContact C-N 3.29Å; N535-C540 WeakPolarHBondContact OD1-CB 3.45Å; N535-C540 PolarHBondContact OD1-SG 2.88Å; N535-V562 PolarHBondContact ND2-O 3.27Å; N535-G563 WeakPolarHBondContact CB-O 3.43Å; N535-C564 PolarHBondContact ND2-N 3.01Å; N535-C564 PolarHBondContact ND2-SG 3.05Å; N535-Q565 PolarHBondContact O-NE2 2.89Å; N535-K596 PolarHBondContact O-NZ 3.04Å
536	A	96.9	Very high	96	Very high	3 Å²	3	28 Å²	28	3%	0.025	15%	0.15	C	C	.	.	H	α-helix	trans	-68	-33	167.9	0	0	0	0	0	111.1	S296 H297 V532 R533 C534	S296-A536 WeakPolarHBondContact CB-O 3.45Å; S296-A536 PolarHBondContact OG-O 3.07Å; H297-A536 PolarHBondContact CD2-O 2.99Å; H297-A536 VanDerWaalsContact CD2-O 3.24Å; H297-A536 PolarHBondContact NE2-O 2.81Å; V532-A536 PolarHBondContact O-N 3.15Å; R533-A536 WeakPolarHBondContact O-CB 3.44Å; R533-A536 PolarHBondContact O-N 3.38Å; C534-A536 VanDerWaalsContact C-N 3.26Å; C534-A536 PolarHBondContact O-N 3.34Å
537	R	95.6	Very high	95.6	Very high	80 Å²	80	30.1 Å²	30.1	30%	0.302	16%	0.161	S	C	.	.	H	α-helix	trans	-108.9	-33.4	-171.8	-165.5	175.2	73.3	-161.2	11.1	114.9	A503 R504 A507 C509 C534 N535	A503-R537 PolarHBondContact O-NH2 2.9Å; R504-R537 PolarHBondContact O-NH1 3.24Å; R504-R537 PolarHBondContact O-NH2 2.8Å; A507-R537 PolarHBondContact O-NH2 3.4Å; C509-R537 HydrophobicContact CB-CG 4.29Å; C534-R537 PolarHBondContact O-N 2.93Å; C534-R537 VanDerWaalsContact O-N 3.12Å; N535-R537 VanDerWaalsContact C-N 3.29Å
538	Q	96.3	Very high	95.3	Very high	7 Å²	7	32.2 Å²	32.2	3%	0.033	17%	0.165	C	C	.	.	S	Bend	trans	-119.4	155.9	-174.5	-64.9	177.3	-98.9	0	0	110.6	A503 A507 K508 E511 C534 Q565	A503-Q538 PolarHBondContact O-OE1 2.91Å; A507-Q538 VanDerWaalsContact CB-NE2 3.34Å; K508-Q538 PolarHBondContact O-NE2 3.4Å; E511-Q538 PolarHBondContact O-NE2 3.03Å; C534-Q538 PolarHBondContact O-N 2.85Å; Q538-Q565 PolarHBondContact O-NE2 2.82Å
539	L	98.4	Very high	94.9	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.182	C	C	.	.			trans	-83.1	140.5	170.1	-63.9	173.1	0	0	0	110.1	L295 I300 L419 M512 Q565	L295-L539 HydrophobicContact CD2-CD1 4Å; L295-L539 HydrophobicContact CG-CD1 4.41Å; L295-L539 HydrophobicContact CG-CD2 4.37Å; I300-L539 HydrophobicContact CD1-CD2 4.32Å; L419-L539 HydrophobicContact CD1-CD1 4.05Å; L419-L539 HydrophobicContact CD1-CD2 4.29Å; L419-L539 HydrophobicContact CD1-CG 3.71Å; M512-L539 WeakPolarHBondContact CA-O 3.46Å; M512-L539 HydrophobicContact CB-CB 4.05Å; M512-L539 WeakPolarHBondContact CB-O 3.41Å; M512-L539 HydrophobicContact CE-CB 3.34Å; M512-L539 HydrophobicContact CE-CD1 3.7Å; M512-L539 HydrophobicContact CE-CG 4.17Å; L539-Q565 HydrophobicContact CD2-CB 3.89Å; L539-Q565 HydrophobicContact CD2-CG 3.8Å
540	C	98.4	Very high	94.4	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.02	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	136.8	168.8	-74.1	0	0	0	0	110.1	S513 F515 F531 N535 I566	S513-C540 WeakPolarHBondContact O-CA 3.34Å; F515-C540 HydrophobicContact CE2-CB 4.13Å; F531-C540 HydrophobicContact CE2-CB 4.21Å; N535-C540 WeakPolarHBondContact OD1-CB 3.45Å; N535-C540 PolarHBondContact OD1-SG 2.88Å; C540-I566 PolarHBondContact O-N 2.83Å; C540-I566 VanDerWaalsContact O-N 3.16Å
541	R	98.6	Very high	94.1	Very high	8 Å²	8	34.9 Å²	34.9	3%	0.03	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	134.3	174.7	176.6	176.7	-175.1	-97.1	0.4	110.5	E334 S513 S514 F515 I566	E334-R541 IonicContact OE1-CZ 3.33Å; E334-R541 VanDerWaalsContact OE1-CZ 3.32Å; E334-R541 IonicContact OE1-NH1 2.83Å; E334-R541 PolarHBondContact OE1-NH1 2.91Å; E334-R541 IonicContact OE1-NH2 3.75Å; E334-R541 PolarHBondContact OE1-NH2 3.19Å; E334-R541 IonicContact OE2-CZ 3.41Å; E334-R541 IonicContact OE2-NH2 3.88Å; E334-R541 PolarHBondContact OE2-NH2 3.08Å; S513-R541 PolarHBondContact O-N 2.85Å; S514-R541 CarbonylContact C-O 3.55Å; S514-R541 VanDerWaalsContact CA-O 3.28Å; S514-R541 WeakPolarHBondContact CA-O 3.4Å; F515-R541 PolarHBondContact N-O 3.27Å; R541-I566 CarbonylContact C-O 3.58Å; R541-I566 VanDerWaalsContact CA-O 3.26Å; R541-I566 WeakPolarHBondContact CA-O 3.35Å; R541-I566 HydrophobicContact CB-CB 4.03Å; R541-I566 HydrophobicContact CB-CG2 4.01Å; R541-I566 HydrophobicContact CG-CB 4.26Å; R541-I566 HydrophobicContact CG-CG2 3.73Å
542	T	98.6	Very high	94	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	146.9	169	61.8	0	0	0	0	110	F515 A520 Y554 M559 C564 I566 V567 A568	F515-T542 VanDerWaalsContact O-CA 3.3Å; F515-T542 WeakPolarHBondContact O-CA 3.35Å; A520-T542 HydrophobicContact CB-CG2 3.71Å; T542-Y554 PolarHBondContact O-OH 3.05Å; T542-Y554 VanDerWaalsContact O-OH 3.12Å; T542-Y554 PolarHBondContact OG1-OH 3.08Å; T542-M559 HydrophobicContact CG2-CB 4.43Å; T542-M559 HydrophobicContact CG2-CG 4.06Å; T542-M559 HydrophobicContact CG2-SD 3.88Å; T542-C564 HydrophobicContact CG2-CB 4.45Å; T542-I566 PolarHBondContact N-O 3.04Å; T542-V567 WeakPolarHBondContact OG1-CA 3.46Å; T542-A568 VanDerWaalsContact O-CB 3.3Å; T542-A568 WeakPolarHBondContact O-CB 3.45Å; T542-A568 PolarHBondContact O-N 2.95Å
543	Y	97.5	Very high	94	Very high	74 Å²	74	36.4 Å²	36.4	29%	0.29	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	155.9	-177.8	59.4	-86.5	0	0	0	112.4	F515 E517	F515-Y543 WeakPolarHBondContact O-CD1 3.31Å; F515-Y543 VanDerWaalsContact O-CE1 3.31Å; F515-Y543 WeakPolarHBondContact O-CE1 3.16Å; F515-Y543 PolarHBondContact O-N 3.5Å; F515-Y543 VanDerWaalsContact O-N 3.12Å; E517-Y543 PolarHBondContact N-O 3.47Å
544	P	95.8	Very high	94	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.019	18%	0.176	C	C	.	.			trans	-60.4	149.1	-179.7	-19.9	32.8	0	0	0	112.6	H304 E517 Y554	H304-P544 HydrophobicContact CB-CG 4.28Å; H304-P544 VanDerWaalsContact CG-CD 3.42Å; E517-P544 WeakPolarHBondContact OE2-CA 3.4Å; P544-Y554 HydrophobicContact CB-CD1 4.16Å; P544-Y554 HydrophobicContact CB-CE1 4.36Å; P544-Y554 HydrophobicContact CG-CD1 4.01Å; P544-Y554 HydrophobicContact CG-CE1 3.82Å
545	S	91.1	Very high	94	Very high	24 Å²	24	32.9 Å²	32.9	17%	0.168	18%	0.178	C	C	.	.			trans	-66.3	144.4	173.7	174.9	0	0	0	0	111.9	E517 L547 R548	E517-S545 PolarHBondContact OE2-N 3.43Å; S545-L547 PolarHBondContact O-N 3.35Å; S545-L547 PolarHBondContact OG-N 3.29Å; S545-R548 WeakPolarHBondContact O-CB 3.49Å; S545-R548 PolarHBondContact O-N 3.39Å
546	G	84.4	Confident	94.1	Very high	50 Å²	50	32.9 Å²	32.9	52%	0.515	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-15.4	172	0	0	0	0	0	114.3	R548	G546-R548 PolarHBondContact O-N 3.25Å
547	L	87.7	Confident	94.1	Very high	152 Å²	152	32.7 Å²	32.7	80%	0.796	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-18.1	172.2	-63.1	175.8	0	0	0	113.2	S545 T549	S545-L547 PolarHBondContact O-N 3.35Å; S545-L547 PolarHBondContact OG-N 3.29Å; L547-T549 PolarHBondContact O-N 3.22Å
548	R	89.9	Confident	94.2	Very high	59 Å²	59	31 Å²	31	22%	0.223	17%	0.173	C	C	.	.			trans	-83.9	63.7	178.5	-63.2	-178.5	176.5	-88.6	2.3	111.5	E517 S545 G546 D550 S551 S552 N553	E517-R548 VanDerWaalsContact CD-NE 3.28Å; E517-R548 IonicContact OE1-CZ 3.64Å; E517-R548 IonicContact OE1-NE 2.81Å; E517-R548 PolarHBondContact OE1-NE 2.86Å; E517-R548 IonicContact OE1-NH2 3.6Å; E517-R548 PolarHBondContact OE1-NH2 2.92Å; E517-R548 WeakPolarHBondContact OE2-CD 3.35Å; E517-R548 IonicContact OE2-CZ 3.88Å; E517-R548 IonicContact OE2-NE 2.75Å; E517-R548 PolarHBondContact OE2-NE 3.35Å; E517-R548 IonicContact OE2-NH2 2.84Å; S545-R548 WeakPolarHBondContact O-CB 3.49Å; S545-R548 PolarHBondContact O-N 3.39Å; G546-R548 PolarHBondContact O-N 3.25Å; R548-D550 PolarHBondContact O-N 3.3Å; R548-S551 PolarHBondContact O-N 2.81Å; R548-S552 VanDerWaalsContact CD-O 3.32Å; R548-S552 WeakPolarHBondContact CD-O 2.97Å; R548-S552 PolarHBondContact NH1-OG 2.93Å; R548-N553 PolarHBondContact NH1-O 2.7Å; R548-N553 VanDerWaalsContact NH1-O 3.09Å
549	T	85.8	Confident	94.3	Very high	66 Å²	66	30.7 Å²	30.7	41%	0.405	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-20.4	-177.3	55.5	0	0	0	0	113.4	Q312 L313 L547 S551	Q312-T549 PolarHBondContact N-O 3.46Å; Q312-T549 VanDerWaalsContact N-O 3.08Å; L313-T549 HydrophobicContact CD1-CG2 4.17Å; L313-T549 HydrophobicContact CD2-CG2 4.32Å; L313-T549 HydrophobicContact CG-CG2 4.31Å; L547-T549 PolarHBondContact O-N 3.22Å; T549-S551 PolarHBondContact O-N 3.33Å
550	D	86	Confident	94.3	Very high	103 Å²	103	30.7 Å²	30.7	55%	0.551	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	5.7	174.2	70.4	-18.1	0	0	0	114	R548 S552	R548-D550 PolarHBondContact O-N 3.3Å; D550-S552 PolarHBondContact O-N 2.81Å; D550-S552 WeakPolarHBondContact OD1-CB 3.32Å; D550-S552 PolarHBondContact OD1-N 3.14Å; D550-S552 PolarHBondContact OD1-OG 3.42Å
551	S	90.6	Very high	94.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.172	C	C	.	.			trans	60.7	21.6	-174.1	-57.9	0	0	0	0	113.7	E310 D311 Q312 R548 T549 N570 Q572 T573	E310-S551 PolarHBondContact O-OG 3.03Å; D311-S551 WeakPolarHBondContact CA-OG 3.42Å; Q312-S551 WeakPolarHBondContact CG-OG 3.33Å; Q312-S551 PolarHBondContact N-OG 3.38Å; Q312-S551 PolarHBondContact NE2-OG 3.48Å; R548-S551 PolarHBondContact O-N 2.81Å; T549-S551 PolarHBondContact O-N 3.33Å; S551-N570 VanDerWaalsContact O-CB 3.29Å; S551-N570 WeakPolarHBondContact O-CB 3.28Å; S551-N570 PolarHBondContact O-ND2 3.13Å; S551-Q572 PolarHBondContact OG-NE2 3.02Å; S551-T573 WeakPolarHBondContact CB-OG1 3.35Å; S551-T573 VanDerWaalsContact O-CB 3.25Å; S551-T573 WeakPolarHBondContact O-CB 3.23Å; S551-T573 PolarHBondContact O-OG1 3.16Å
552	S	94.4	Very high	94.3	Very high	26 Å²	26	30.5 Å²	30.5	18%	0.182	17%	0.171	C	C	.	.			trans	-59	158.6	172.2	57.6	0	0	0	0	111.8	R548 D550 N570	R548-S552 VanDerWaalsContact CD-O 3.32Å; R548-S552 WeakPolarHBondContact CD-O 2.97Å; R548-S552 PolarHBondContact NH1-OG 2.93Å; D550-S552 PolarHBondContact O-N 2.81Å; D550-S552 WeakPolarHBondContact OD1-CB 3.32Å; D550-S552 PolarHBondContact OD1-N 3.14Å; D550-S552 PolarHBondContact OD1-OG 3.42Å; S552-N570 PolarHBondContact O-ND2 2.85Å; S552-N570 VanDerWaalsContact O-ND2 3.08Å
553	N	96.8	Very high	94.3	Very high	5 Å²	5	30.5 Å²	30.5	3%	0.027	17%	0.171	C	C	.	.			trans	-106.8	154.8	180	-79.2	-49	0	0	0	111.2	R548 L569 N570 E577	R548-N553 PolarHBondContact NH1-O 2.7Å; R548-N553 VanDerWaalsContact NH1-O 3.09Å; N553-L569 HydrophobicContact CB-CD2 4.15Å; N553-L569 WeakPolarHBondContact OD1-CA 3.5Å; N553-L569 WeakPolarHBondContact OD1-CB 3.29Å; N553-N570 PolarHBondContact ND2-O 2.94Å; N553-N570 VanDerWaalsContact ND2-O 3.07Å; N553-N570 PolarHBondContact OD1-N 2.86Å; N553-E577 HydrophobicContact CB-CB 3.48Å; N553-E577 VanDerWaalsContact CB-CB 3.48Å; N553-E577 HydrophobicContact CB-CG 3.74Å
554	Y	97.3	Very high	94.4	Very high	1 Å²	1	27 Å²	27	0%	0.004	16%	0.157	C	C	.	.			trans	-91.4	156.5	165.6	62.3	-79.6	0	0	0	109.5	E517 T542 P544 P556 M559 V567 A568 L569 E577	E517-Y554 HydrophobicContact CB-CD1 4.03Å; E517-Y554 HydrophobicContact CB-CD2 4.29Å; E517-Y554 HydrophobicContact CB-CG 3.89Å; E517-Y554 WeakPolarHBondContact OE2-CB 3.36Å; T542-Y554 PolarHBondContact O-OH 3.05Å; T542-Y554 VanDerWaalsContact O-OH 3.12Å; T542-Y554 PolarHBondContact OG1-OH 3.08Å; P544-Y554 HydrophobicContact CB-CD1 4.16Å; P544-Y554 HydrophobicContact CB-CE1 4.36Å; P544-Y554 HydrophobicContact CG-CD1 4.01Å; P544-Y554 HydrophobicContact CG-CE1 3.82Å; Y554-P556 WeakPolarHBondContact O-CD 3.47Å; Y554-P556 VanDerWaalsContact O-N 3.1Å; Y554-M559 HydrophobicContact CD2-CG 4.3Å; Y554-M559 HydrophobicContact CE2-CG 3.68Å; Y554-V567 HydrophobicContact CE2-CG1 3.8Å; Y554-V567 VanDerWaalsContact OH-CG1 3.29Å; Y554-V567 WeakPolarHBondContact OH-CG1 3.26Å; Y554-A568 VanDerWaalsContact CE1-O 3.28Å; Y554-A568 WeakPolarHBondContact CE1-O 3.33Å; Y554-A568 PolarHBondContact OH-N 2.83Å; Y554-A568 PolarHBondContact OH-O 3.06Å; Y554-L569 HydrophobicContact CD1-CD2 4.33Å; Y554-L569 HydrophobicContact CE1-CD2 3.92Å; Y554-E577 VanDerWaalsContact O-CG 3.28Å; Y554-E577 WeakPolarHBondContact O-CG 3.41Å
555	N	97.2	Very high	94.5	Very high	25 Å²	25	26.8 Å²	26.8	13%	0.134	16%	0.156	C	C	.	.			trans	-59.8	113	177.1	-175.9	2	0	0	0	110.9	Q557 D558	N555-Q557 VanDerWaalsContact C-N 3.27Å; N555-Q557 PolarHBondContact O-N 3.23Å; N555-Q557 VanDerWaalsContact OD1-CB 3.31Å; N555-Q557 WeakPolarHBondContact OD1-CB 3.33Å; N555-Q557 PolarHBondContact OD1-N 2.6Å; N555-D558 PolarHBondContact ND2-OD1 2.82Å
556	P	98.4	Very high	94.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-70.7	-24.7	-179.4	29.9	-36.6	0	0	0	112.6	Y554 D558 M559 W560 V567 L569 L580	Y554-P556 WeakPolarHBondContact O-CD 3.47Å; Y554-P556 VanDerWaalsContact O-N 3.1Å; P556-D558 VanDerWaalsContact C-N 3.27Å; P556-D558 PolarHBondContact O-N 2.84Å; P556-M559 PolarHBondContact O-N 2.89Å; P556-W560 HydrophobicContact CB-CD2 4.26Å; P556-W560 HydrophobicContact CB-CE3 4.17Å; P556-W560 HydrophobicContact CB-CH2 3.6Å; P556-W560 HydrophobicContact CB-CZ2 3.71Å; P556-W560 HydrophobicContact CB-CZ3 3.85Å; P556-W560 HydrophobicContact CG-CE3 4.4Å; P556-W560 HydrophobicContact CG-CH2 3.59Å; P556-W560 HydrophobicContact CG-CZ2 4.21Å; P556-W560 HydrophobicContact CG-CZ3 3.7Å; P556-W560 PolarHBondContact O-N 3.45Å; P556-V567 HydrophobicContact CB-CG1 3.65Å; P556-L569 HydrophobicContact CB-CD1 4.17Å; P556-L569 HydrophobicContact CB-CD2 4.37Å; P556-L569 HydrophobicContact CG-CD1 4.15Å; P556-L580 HydrophobicContact CG-CB 4.1Å; P556-L580 HydrophobicContact CG-CD1 4.31Å
557	Q	98.3	Very high	95.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.2	-37	-178.1	-173.1	63.5	41	0	0	112	N555 M559 W560 N561 G654 L689	N555-Q557 VanDerWaalsContact C-N 3.27Å; N555-Q557 PolarHBondContact O-N 3.23Å; N555-Q557 VanDerWaalsContact OD1-CB 3.31Å; N555-Q557 WeakPolarHBondContact OD1-CB 3.33Å; N555-Q557 PolarHBondContact OD1-N 2.6Å; Q557-M559 PolarHBondContact O-N 3.05Å; Q557-W560 HydrophobicContact CB-CE3 4.39Å; Q557-W560 PolarHBondContact O-N 3.47Å; Q557-N561 PolarHBondContact NE2-OD1 2.9Å; Q557-N561 WeakPolarHBondContact O-CB 3.32Å; Q557-N561 PolarHBondContact O-N 3Å; Q557-N561 PolarHBondContact O-ND2 3.36Å; Q557-N561 PolarHBondContact O-OD1 2.87Å; Q557-G654 WeakPolarHBondContact CG-O 3.44Å; Q557-L689 PolarHBondContact NE2-O 3.01Å; Q557-L689 VanDerWaalsContact NE2-O 3.09Å
558	D	97.3	Very high	96.1	Very high	44 Å²	44	16.1 Å²	16.1	24%	0.235	9%	0.086	C	C	.	.	H	α-helix	trans	-57.3	-36.8	176.9	-62.7	-16.5	0	0	0	111.4	N555 P556 Q659	N555-D558 PolarHBondContact ND2-OD1 2.82Å; P556-D558 VanDerWaalsContact C-N 3.27Å; P556-D558 PolarHBondContact O-N 2.84Å; D558-Q659 PolarHBondContact OD1-NE2 3.35Å
559	M	98.6	Very high	96.5	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-84	-35.5	-179.1	-57.7	-57.5	97.9	0	0	111.9	A520 K521 T542 Y554 P556 Q557 N561 V562 G563 C564 V567	A520-M559 HydrophobicContact CB-SD 3.44Å; A520-M559 WeakPolarHBondContact CB-SD 3.32Å; K521-M559 HydrophobicContact CG-CE 3.67Å; T542-M559 HydrophobicContact CG2-CB 4.43Å; T542-M559 HydrophobicContact CG2-CG 4.06Å; T542-M559 HydrophobicContact CG2-SD 3.88Å; Y554-M559 HydrophobicContact CD2-CG 4.3Å; Y554-M559 HydrophobicContact CE2-CG 3.68Å; P556-M559 PolarHBondContact O-N 2.89Å; Q557-M559 PolarHBondContact O-N 3.05Å; M559-N561 VanDerWaalsContact C-N 3.26Å; M559-N561 PolarHBondContact O-N 3.25Å; M559-V562 WeakPolarHBondContact O-CG2 3.46Å; M559-V562 PolarHBondContact O-N 2.85Å; M559-G563 PolarHBondContact O-N 2.93Å; M559-C564 HydrophobicContact CB-CB 4.16Å; M559-C564 WeakPolarHBondContact O-CB 3.41Å; M559-C564 PolarHBondContact O-N 3Å; M559-C564 VanDerWaalsContact O-N 3.16Å; M559-V567 HydrophobicContact CB-CG1 4.01Å; M559-V567 HydrophobicContact CB-CG2 3.68Å; M559-V567 HydrophobicContact CG-CG1 4.35Å
560	W	98.8	Very high	97	Very high	1 Å²	1	10.2 Å²	10.2	0%	0.004	6%	0.056	C	C	.	.	H	α-helix	trans	-64.5	-32.6	172.1	-65.2	-35.4	0	0	0	112.3	F299 P556 Q557 V562 G563 V567 L580 N581 R584 F585 M600 L691	F299-W560 HydrophobicContact CD1-CB 4.37Å; F299-W560 AromaticContact CD1-CD1 3.5Å; F299-W560 HydrophobicContact CD1-CG 4.14Å; F299-W560 HydrophobicContact CE1-CB 3.83Å; F299-W560 AromaticContact CE1-CD1 3.81Å; F299-W560 HydrophobicContact CE1-CG 4.09Å; F299-W560 HydrophobicContact CZ-CB 3.96Å; F299-W560 HydrophobicContact CZ-CG 4.48Å; F299-W560 WeakPolarHBondContact CZ-O 3.41Å; P556-W560 HydrophobicContact CB-CD2 4.26Å; P556-W560 HydrophobicContact CB-CE3 4.17Å; P556-W560 HydrophobicContact CB-CH2 3.6Å; P556-W560 HydrophobicContact CB-CZ2 3.71Å; P556-W560 HydrophobicContact CB-CZ3 3.85Å; P556-W560 HydrophobicContact CG-CE3 4.4Å; P556-W560 HydrophobicContact CG-CH2 3.59Å; P556-W560 HydrophobicContact CG-CZ2 4.21Å; P556-W560 HydrophobicContact CG-CZ3 3.7Å; P556-W560 PolarHBondContact O-N 3.45Å; Q557-W560 HydrophobicContact CB-CE3 4.39Å; Q557-W560 PolarHBondContact O-N 3.47Å; W560-V562 PolarHBondContact O-N 3.26Å; W560-G563 WeakPolarHBondContact O-CA 3.39Å; W560-G563 PolarHBondContact O-N 3.29Å; W560-V567 HydrophobicContact CG-CG2 4.47Å; W560-L580 HydrophobicContact CZ3-CB 4.34Å; W560-N581 HydrophobicContact CH2-CB 4.47Å; W560-R584 HydrophobicContact CH2-CB 4.21Å; W560-R584 HydrophobicContact CZ3-CB 4.4Å; W560-R584 VanDerWaalsContact CZ3-NE 3.29Å; W560-F585 HydrophobicContact CZ2-CE2 4Å; W560-M600 WeakPolarHBondContact O-CE 3.43Å; W560-L691 HydrophobicContact CE3-CD1 4.48Å; W560-L691 HydrophobicContact CZ3-CD1 3.84Å
561	N	98.5	Very high	97.4	Very high	4 Å²	4	5.8 Å²	5.8	2%	0.021	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-27.5	175	-72.5	-20.2	0	0	0	113	Q557 M559 M600 P609 G654 V655	Q557-N561 PolarHBondContact NE2-OD1 2.9Å; Q557-N561 WeakPolarHBondContact O-CB 3.32Å; Q557-N561 PolarHBondContact O-N 3Å; Q557-N561 PolarHBondContact O-ND2 3.36Å; Q557-N561 PolarHBondContact O-OD1 2.87Å; M559-N561 VanDerWaalsContact C-N 3.26Å; M559-N561 PolarHBondContact O-N 3.25Å; N561-M600 VanDerWaalsContact C-CE 3.48Å; N561-M600 WeakPolarHBondContact O-CE 3.29Å; N561-P609 HydrophobicContact CB-CB 4.22Å; N561-P609 HydrophobicContact CB-CG 4.36Å; N561-P609 VanDerWaalsContact O-CG 3.23Å; N561-P609 WeakPolarHBondContact O-CG 3.4Å; N561-G654 PolarHBondContact ND2-O 3.09Å; N561-G654 PolarHBondContact OD1-O 2.77Å; N561-V655 PolarHBondContact OD1-N 3.38Å
562	V	98.3	Very high	97.3	Very high	2 Å²	2	7.6 Å²	7.6	1%	0.012	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	10	173.7	-67.1	0	0	0	0	113.1	A524 F531 V532 N535 M559 W560 P609	A524-V562 HydrophobicContact CB-CG1 3.71Å; A524-V562 HydrophobicContact CB-CG2 4.3Å; F531-V562 HydrophobicContact CB-CB 4.14Å; F531-V562 HydrophobicContact CB-CG1 4.45Å; F531-V562 HydrophobicContact CD1-CB 4.11Å; F531-V562 HydrophobicContact CD1-CG1 4.45Å; F531-V562 HydrophobicContact CD1-CG2 3.86Å; F531-V562 HydrophobicContact CE1-CG2 4.13Å; F531-V562 HydrophobicContact CG-CB 4.13Å; F531-V562 HydrophobicContact CG-CG2 4.22Å; V532-V562 WeakPolarHBondContact CA-O 3.31Å; V532-V562 HydrophobicContact CG2-CB 4.43Å; N535-V562 PolarHBondContact ND2-O 3.27Å; M559-V562 WeakPolarHBondContact O-CG2 3.46Å; M559-V562 PolarHBondContact O-N 2.85Å; W560-V562 PolarHBondContact O-N 3.26Å; V562-P609 HydrophobicContact CG1-CG 3.94Å
563	G	98.3	Very high	97.2	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	9.8	174.5	0	0	0	0	0	115.5	N535 M559 W560 Q565 K596	N535-G563 WeakPolarHBondContact CB-O 3.43Å; M559-G563 PolarHBondContact O-N 2.93Å; W560-G563 WeakPolarHBondContact O-CA 3.39Å; W560-G563 PolarHBondContact O-N 3.29Å; G563-Q565 PolarHBondContact O-N 3.27Å; G563-K596 PolarHBondContact O-NZ 3.09Å
564	C	98.8	Very high	96.9	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.053	C	C	.	.			trans	-59.1	131	176.7	-71.1	0	0	0	0	110.4	F299 N535 T542 M559 V567	F299-C564 WeakPolarHBondContact CD1-O 3.36Å; N535-C564 PolarHBondContact ND2-N 3.01Å; N535-C564 PolarHBondContact ND2-SG 3.05Å; T542-C564 HydrophobicContact CG2-CB 4.45Å; M559-C564 HydrophobicContact CB-CB 4.16Å; M559-C564 WeakPolarHBondContact O-CB 3.41Å; M559-C564 PolarHBondContact O-N 3Å; M559-C564 VanDerWaalsContact O-N 3.16Å; C564-V567 HydrophobicContact CB-CG2 3.93Å
565	Q	98.8	Very high	96.7	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	-88.5	-43.7	-172.6	-56.1	88.4	-14	0	0	111.8	S296 Y298 I300 N535 Q538 L539 G563 V567	S296-Q565 PolarHBondContact O-NE2 3Å; Y298-Q565 WeakPolarHBondContact O-CB 3.49Å; Y298-Q565 WeakPolarHBondContact O-CG 3.23Å; I300-Q565 HydrophobicContact CD1-CB 4.11Å; I300-Q565 HydrophobicContact CG1-CB 4.16Å; I300-Q565 PolarHBondContact N-O 3.16Å; N535-Q565 PolarHBondContact O-NE2 2.89Å; Q538-Q565 PolarHBondContact O-NE2 2.82Å; L539-Q565 HydrophobicContact CD2-CB 3.89Å; L539-Q565 HydrophobicContact CD2-CG 3.8Å; G563-Q565 PolarHBondContact O-N 3.27Å; Q565-V567 PolarHBondContact O-N 3.46Å
566	I	98.8	Very high	96.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	76.5	-173.9	-55.4	175.7	0	0	0	108.5	I300 S302 C332 I379 M512 C540 R541 T542 A568	I300-I566 HydrophobicContact CD1-CG1 4.21Å; S302-I566 WeakPolarHBondContact OG-CA 3.27Å; S302-I566 WeakPolarHBondContact OG-CG2 3.23Å; C332-I566 HydrophobicContact CB-CG2 4.08Å; I379-I566 HydrophobicContact CD1-CD1 3.9Å; M512-I566 HydrophobicContact CE-CD1 3.62Å; C540-I566 PolarHBondContact O-N 2.83Å; C540-I566 VanDerWaalsContact O-N 3.16Å; R541-I566 CarbonylContact C-O 3.58Å; R541-I566 VanDerWaalsContact CA-O 3.26Å; R541-I566 WeakPolarHBondContact CA-O 3.35Å; R541-I566 HydrophobicContact CB-CB 4.03Å; R541-I566 HydrophobicContact CB-CG2 4.01Å; R541-I566 HydrophobicContact CG-CB 4.26Å; R541-I566 HydrophobicContact CG-CG2 3.73Å; T542-I566 PolarHBondContact N-O 3.04Å; I566-A568 PolarHBondContact O-N 3.28Å
567	V	98.8	Very high	96.7	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.006	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	87.5	177.9	-176.3	0	0	0	0	108.1	T542 Y554 P556 M559 W560 C564 Q565	T542-V567 WeakPolarHBondContact OG1-CA 3.46Å; Y554-V567 HydrophobicContact CE2-CG1 3.8Å; Y554-V567 VanDerWaalsContact OH-CG1 3.29Å; Y554-V567 WeakPolarHBondContact OH-CG1 3.26Å; P556-V567 HydrophobicContact CB-CG1 3.65Å; M559-V567 HydrophobicContact CB-CG1 4.01Å; M559-V567 HydrophobicContact CB-CG2 3.68Å; M559-V567 HydrophobicContact CG-CG1 4.35Å; W560-V567 HydrophobicContact CG-CG2 4.47Å; C564-V567 HydrophobicContact CB-CG2 3.93Å; Q565-V567 PolarHBondContact O-N 3.46Å
568	A	98.5	Very high	96.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	132.1	-171.5	0	0	0	0	0	111.4	S302 H304 T542 Y554 I566	S302-A568 WeakPolarHBondContact O-CA 3.41Å; H304-A568 HydrophobicContact CB-CB 3.91Å; T542-A568 VanDerWaalsContact O-CB 3.3Å; T542-A568 WeakPolarHBondContact O-CB 3.45Å; T542-A568 PolarHBondContact O-N 2.95Å; Y554-A568 VanDerWaalsContact CE1-O 3.28Å; Y554-A568 WeakPolarHBondContact CE1-O 3.33Å; Y554-A568 PolarHBondContact OH-N 2.83Å; Y554-A568 PolarHBondContact OH-O 3.06Å; I566-A568 PolarHBondContact O-N 3.28Å
569	L	98.3	Very high	96.7	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	155	179.8	-60.1	179.5	0	0	0	111.1	S302 S303 H304 N553 Y554 P556 F571 M578 N581	S302-L569 PolarHBondContact O-N 3.13Å; S303-L569 CarbonylContact C-O 3.56Å; S303-L569 WeakPolarHBondContact CA-O 3.41Å; H304-L569 PolarHBondContact N-O 2.81Å; N553-L569 HydrophobicContact CB-CD2 4.15Å; N553-L569 WeakPolarHBondContact OD1-CA 3.5Å; N553-L569 WeakPolarHBondContact OD1-CB 3.29Å; Y554-L569 HydrophobicContact CD1-CD2 4.33Å; Y554-L569 HydrophobicContact CE1-CD2 3.92Å; P556-L569 HydrophobicContact CB-CD1 4.17Å; P556-L569 HydrophobicContact CB-CD2 4.37Å; P556-L569 HydrophobicContact CG-CD1 4.15Å; L569-F571 WeakPolarHBondContact O-CD2 3.44Å; L569-F571 PolarHBondContact O-N 3.44Å; L569-F571 VanDerWaalsContact O-N 3.15Å; L569-M578 HydrophobicContact CB-CE 3.68Å; L569-M578 HydrophobicContact CD1-CE 4.09Å; L569-N581 HydrophobicContact CD1-CB 3.82Å
570	N	96.8	Very high	96.7	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.005	7%	0.067	C	C	.	.			trans	-73.1	98.8	170.8	-64.1	-47.2	0	0	0	109.2	H304 Q312 S551 S552 N553 Q572 T573 M578	H304-N570 PolarHBondContact ND1-OD1 3.16Å; Q312-N570 PolarHBondContact NE2-OD1 2.97Å; S551-N570 VanDerWaalsContact O-CB 3.29Å; S551-N570 WeakPolarHBondContact O-CB 3.28Å; S551-N570 PolarHBondContact O-ND2 3.13Å; S552-N570 PolarHBondContact O-ND2 2.85Å; S552-N570 VanDerWaalsContact O-ND2 3.08Å; N553-N570 PolarHBondContact ND2-O 2.94Å; N553-N570 VanDerWaalsContact ND2-O 3.07Å; N553-N570 PolarHBondContact OD1-N 2.86Å; N570-Q572 VanDerWaalsContact C-N 3.26Å; N570-Q572 VanDerWaalsContact CA-OE1 3.32Å; N570-Q572 PolarHBondContact O-N 3.37Å; N570-T573 PolarHBondContact O-N 3.22Å; N570-T573 VanDerWaalsContact O-N 3.11Å; N570-M578 VanDerWaalsContact O-CE 3.25Å; N570-M578 WeakPolarHBondContact O-CE 3.49Å
571	F	94.3	Very high	96.7	Very high	11 Å²	11	11.4 Å²	11.4	5%	0.048	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-25.9	-172	-97.1	-129.9	0	0	0	114.7	R97 S302 A325 R328 C330 L569 T573 M578	R97-F571 PolarHBondContact NE-O 3.09Å; S302-F571 VanDerWaalsContact O-CE2 3.23Å; S302-F571 WeakPolarHBondContact O-CE2 3.13Å; A325-F571 HydrophobicContact CB-CD1 3.98Å; A325-F571 HydrophobicContact CB-CE1 4.39Å; R328-F571 VanDerWaalsContact NH1-CD1 3.3Å; R328-F571 PolarHBondContact NH1-O 2.92Å; R328-F571 VanDerWaalsContact NH1-O 3.13Å; C330-F571 HydrophobicContact CB-CE1 3.69Å; C330-F571 HydrophobicContact CB-CZ 3.9Å; L569-F571 WeakPolarHBondContact O-CD2 3.44Å; L569-F571 PolarHBondContact O-N 3.44Å; L569-F571 VanDerWaalsContact O-N 3.15Å; F571-T573 VanDerWaalsContact C-N 3.28Å; F571-M578 HydrophobicContact CD2-CE 3.95Å; F571-M578 HydrophobicContact CD2-SD 4.31Å; F571-M578 HydrophobicContact CE2-CE 4.43Å; F571-M578 HydrophobicContact CE2-SD 4.47Å; F571-M578 HydrophobicContact CG-CE 4.43Å
572	Q	87.9	Confident	96.6	Very high	37 Å²	37	12.7 Å²	12.7	17%	0.173	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-23.2	175.9	74.5	-80.4	29.8	0	0	112.9	L309 E310 S551 N570 A574	L309-Q572 WeakPolarHBondContact O-CB 3.45Å; E310-Q572 PolarHBondContact O-NE2 3.07Å; S551-Q572 PolarHBondContact OG-NE2 3.02Å; N570-Q572 VanDerWaalsContact C-N 3.26Å; N570-Q572 VanDerWaalsContact CA-OE1 3.32Å; N570-Q572 PolarHBondContact O-N 3.37Å; Q572-A574 PolarHBondContact O-N 2.92Å
573	T	92.1	Very high	96.6	Very high	34 Å²	34	12.6 Å²	12.6	21%	0.209	7%	0.074	C	C	.	.			trans	-91	105.1	-176.2	-54.6	0	0	0	0	110.6	S551 N570 F571 M578	S551-T573 WeakPolarHBondContact CB-OG1 3.35Å; S551-T573 VanDerWaalsContact O-CB 3.25Å; S551-T573 WeakPolarHBondContact O-CB 3.23Å; S551-T573 PolarHBondContact O-OG1 3.16Å; N570-T573 PolarHBondContact O-N 3.22Å; N570-T573 VanDerWaalsContact O-N 3.11Å; F571-T573 VanDerWaalsContact C-N 3.28Å; T573-M578 WeakPolarHBondContact O-CB 3.29Å
574	A	91.7	Very high	96.6	Very high	30 Å²	30	12.9 Å²	12.9	25%	0.248	8%	0.075	C	C	.	.			trans	-67.5	150.3	169.9	0	0	0	0	0	112	Q572 K730	Q572-A574 PolarHBondContact O-N 2.92Å; A574-K730 HydrophobicContact CB-CG 4.27Å; A574-K730 WeakPolarHBondContact CB-O 3.45Å
575	G	93.1	Very high	96.5	Very high	17 Å²	17	13.3 Å²	13.3	18%	0.175	8%	0.076	C	C	.	.	S	Bend	trans	143.5	-175.7	179.2	0	0	0	0	0	112.2	E577 M578 D579	G575-E577 VanDerWaalsContact C-N 3.35Å; G575-E577 PolarHBondContact O-N 3.39Å; G575-M578 PolarHBondContact O-N 3.17Å; G575-D579 VanDerWaalsContact O-CG 3.24Å; G575-D579 PolarHBondContact O-N 3.49Å
576	L	96.6	Very high	96.4	Very high	45 Å²	45	16.4 Å²	16.4	24%	0.236	9%	0.088	C	C	.	.	H	α-helix	trans	-47.6	-53.2	-174.9	167.8	60.6	0	0	0	112.9	M578 D579 L580 Y653 R693	L576-M578 PolarHBondContact O-N 3.38Å; L576-D579 WeakPolarHBondContact O-CB 3.18Å; L576-D579 PolarHBondContact O-N 2.89Å; L576-D579 VanDerWaalsContact O-N 3.08Å; L576-L580 HydrophobicContact CD1-CD1 4.36Å; L576-L580 HydrophobicContact CD1-CD2 4.27Å; L576-L580 HydrophobicContact CD1-CG 4.11Å; L576-L580 WeakPolarHBondContact O-CG 3.31Å; L576-L580 PolarHBondContact O-N 2.91Å; L576-Y653 HydrophobicContact CD1-CE1 4.09Å; L576-Y653 HydrophobicContact CD1-CE2 3.84Å; L576-Y653 VanDerWaalsContact CD1-CZ 3.47Å; L576-Y653 VanDerWaalsContact CD1-OH 3.24Å; L576-Y653 WeakPolarHBondContact CD1-OH 3.33Å; L576-Y653 HydrophobicContact CD2-CE1 4.02Å; L576-Y653 VanDerWaalsContact CD2-OH 3.3Å; L576-Y653 WeakPolarHBondContact CD2-OH 3.21Å; L576-R693 VanDerWaalsContact CD1-CD 3.41Å
577	E	97.8	Very high	96.3	Very high	50 Å²	50	16.8 Å²	16.8	23%	0.234	9%	0.09	C	C	.	.	H	α-helix	trans	-61.5	-34.3	-174.2	-64.9	74.5	-163.2	0	0	111.9	N553 Y554 G575 N581	N553-E577 HydrophobicContact CB-CB 3.48Å; N553-E577 VanDerWaalsContact CB-CB 3.48Å; N553-E577 HydrophobicContact CB-CG 3.74Å; Y554-E577 VanDerWaalsContact O-CG 3.28Å; Y554-E577 WeakPolarHBondContact O-CG 3.41Å; G575-E577 VanDerWaalsContact C-N 3.35Å; G575-E577 PolarHBondContact O-N 3.39Å; E577-N581 PolarHBondContact O-N 3.36Å
578	M	97.3	Very high	96.3	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-81.9	-31.2	178.3	-168	61.1	52.1	0	0	112	R328 L569 N570 F571 T573 G575 L576 L580 N581 D582	R328-M578 PolarHBondContact NH2-SD 3.27Å; L569-M578 HydrophobicContact CB-CE 3.68Å; L569-M578 HydrophobicContact CD1-CE 4.09Å; N570-M578 VanDerWaalsContact O-CE 3.25Å; N570-M578 WeakPolarHBondContact O-CE 3.49Å; F571-M578 HydrophobicContact CD2-CE 3.95Å; F571-M578 HydrophobicContact CD2-SD 4.31Å; F571-M578 HydrophobicContact CE2-CE 4.43Å; F571-M578 HydrophobicContact CE2-SD 4.47Å; F571-M578 HydrophobicContact CG-CE 4.43Å; T573-M578 WeakPolarHBondContact O-CB 3.29Å; G575-M578 PolarHBondContact O-N 3.17Å; L576-M578 PolarHBondContact O-N 3.38Å; M578-L580 VanDerWaalsContact C-N 3.28Å; M578-L580 PolarHBondContact O-N 3.37Å; M578-N581 PolarHBondContact O-N 3.23Å; M578-N581 HydrophobicContact SD-CB 4.14Å; M578-D582 WeakPolarHBondContact O-CB 3.26Å; M578-D582 PolarHBondContact O-N 3.15Å
579	D	98.1	Very high	96.1	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.021	10%	0.104	C	C	.	.	H	α-helix	trans	-58.7	-42.5	168.2	-60	-23.1	0	0	0	110.4	G575 L576 G583 R693 Q710	G575-D579 VanDerWaalsContact O-CG 3.24Å; G575-D579 PolarHBondContact O-N 3.49Å; L576-D579 WeakPolarHBondContact O-CB 3.18Å; L576-D579 PolarHBondContact O-N 2.89Å; L576-D579 VanDerWaalsContact O-N 3.08Å; D579-G583 PolarHBondContact O-N 2.88Å; D579-R693 IonicContact OD2-CZ 3.87Å; D579-R693 IonicContact OD2-NE 2.64Å; D579-R693 PolarHBondContact OD2-NE 2.94Å; D579-R693 IonicContact OD2-NH2 3.43Å; D579-R693 PolarHBondContact OD2-NH2 3.34Å; D579-Q710 PolarHBondContact OD1-NE2 2.9Å; D579-Q710 WeakPolarHBondContact OD2-CG 3.39Å
580	L	98.6	Very high	96	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.9	-42.9	175.5	-62.6	-177.5	0	0	0	111.9	P556 W560 L576 M578 R584 Y653 L691 T712	P556-L580 HydrophobicContact CG-CB 4.1Å; P556-L580 HydrophobicContact CG-CD1 4.31Å; W560-L580 HydrophobicContact CZ3-CB 4.34Å; L576-L580 HydrophobicContact CD1-CD1 4.36Å; L576-L580 HydrophobicContact CD1-CD2 4.27Å; L576-L580 HydrophobicContact CD1-CG 4.11Å; L576-L580 WeakPolarHBondContact O-CG 3.31Å; L576-L580 PolarHBondContact O-N 2.91Å; M578-L580 VanDerWaalsContact C-N 3.28Å; M578-L580 PolarHBondContact O-N 3.37Å; L580-R584 WeakPolarHBondContact O-CB 3.25Å; L580-R584 PolarHBondContact O-N 3.49Å; L580-Y653 HydrophobicContact CD1-CD1 3.93Å; L580-Y653 HydrophobicContact CD1-CE1 4.37Å; L580-Y653 HydrophobicContact CD1-CG 4.06Å; L580-Y653 HydrophobicContact CD2-CD1 4.42Å; L580-Y653 HydrophobicContact CD2-CD2 3.63Å; L580-Y653 HydrophobicContact CD2-CE2 4.12Å; L580-Y653 HydrophobicContact CD2-CG 3.8Å; L580-L691 HydrophobicContact CB-CD1 3.9Å; L580-L691 HydrophobicContact CD2-CB 4.35Å; L580-L691 HydrophobicContact CD2-CD1 3.9Å; L580-L691 HydrophobicContact CG-CD1 4.39Å; L580-T712 HydrophobicContact CD2-CG2 3.98Å
581	N	98.6	Very high	96.1	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.011	12%	0.121	C	C	.	.	H	α-helix	trans	-62.4	-52.4	175.8	-179.2	86.3	0	0	0	111.9	W560 L569 E577 M578 G583 R584 F585	W560-N581 HydrophobicContact CH2-CB 4.47Å; L569-N581 HydrophobicContact CD1-CB 3.82Å; E577-N581 PolarHBondContact O-N 3.36Å; M578-N581 PolarHBondContact O-N 3.23Å; M578-N581 HydrophobicContact SD-CB 4.14Å; N581-G583 VanDerWaalsContact C-N 3.3Å; N581-G583 PolarHBondContact O-N 2.91Å; N581-R584 PolarHBondContact O-N 3.42Å; N581-F585 VanDerWaalsContact O-CD2 3.29Å; N581-F585 WeakPolarHBondContact O-CD2 3.28Å; N581-F585 PolarHBondContact O-N 2.83Å; N581-F585 WeakPolarHBondContact OD1-CD2 3.38Å; N581-F585 WeakPolarHBondContact OD1-CE2 3.02Å
582	D	97.3	Very high	96.3	Very high	31 Å²	31	20.1 Å²	20.1	17%	0.166	12%	0.119	C	C	.	.	H	α-helix	trans	-62.8	-39	-179.8	-70.2	-12.5	0	0	0	111.2	R97 R328 M578 R586	R97-D582 IonicContact CZ-OD2 2.9Å; R97-D582 IonicContact NH1-OD2 3.58Å; R97-D582 PolarHBondContact NH1-OD2 3.34Å; R97-D582 IonicContact NH2-OD1 3.13Å; R97-D582 IonicContact NH2-OD2 3.58Å; R97-D582 PolarHBondContact NH2-OD2 2.69Å; R328-D582 IonicContact CZ-OD1 2.88Å; R328-D582 IonicContact NE-OD1 3.44Å; R328-D582 IonicContact NH2-OD1 3.49Å; R328-D582 PolarHBondContact NH2-OD1 2.93Å; R328-D582 IonicContact NH2-OD2 2.6Å; M578-D582 WeakPolarHBondContact O-CB 3.26Å; M578-D582 PolarHBondContact O-N 3.15Å; D582-R586 WeakPolarHBondContact O-CB 3.28Å; D582-R586 PolarHBondContact O-N 3.43Å; D582-R586 VanDerWaalsContact O-N 3.11Å
583	G	97.6	Very high	96.8	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-62.1	-47.9	174.7	0	0	0	0	0	112.5	D579 N581 T712 P714	D579-G583 PolarHBondContact O-N 2.88Å; N581-G583 VanDerWaalsContact C-N 3.3Å; N581-G583 PolarHBondContact O-N 2.91Å; G583-T712 VanDerWaalsContact CA-O 3.25Å; G583-T712 WeakPolarHBondContact CA-O 3.33Å; G583-P714 WeakPolarHBondContact O-CD 3.44Å
584	R	98.3	Very high	97.1	Very high	6 Å²	6	17 Å²	17	2%	0.023	10%	0.102	C	C	.	.	H	α-helix	trans	-62.6	-45	180	-177.2	168.3	-67.5	-78.3	-0.4	112.5	W560 L580 N581 Q587 V594 L689 L691	W560-R584 HydrophobicContact CH2-CB 4.21Å; W560-R584 HydrophobicContact CZ3-CB 4.4Å; W560-R584 VanDerWaalsContact CZ3-NE 3.29Å; L580-R584 WeakPolarHBondContact O-CB 3.25Å; L580-R584 PolarHBondContact O-N 3.49Å; N581-R584 PolarHBondContact O-N 3.42Å; R584-Q587 WeakPolarHBondContact O-CG 3.32Å; R584-Q587 PolarHBondContact O-NE2 2.95Å; R584-V594 HydrophobicContact CG-CG2 4.48Å; R584-L689 PolarHBondContact NH2-O 3.37Å; R584-L691 HydrophobicContact CB-CD1 4.46Å; R584-L691 HydrophobicContact CB-CD2 4.13Å
585	F	98.4	Very high	97.5	Very high	8 Å²	8	17.1 Å²	17.1	4%	0.035	10%	0.099	C	C	.	.	H	α-helix	trans	-91	0.5	-172.1	-70.4	-70.2	0	0	0	114.7	F299 S301 W560 N581 Q587 C590 G592 V594	F299-F585 HydrophobicContact CB-CE1 4.29Å; F299-F585 HydrophobicContact CB-CZ 4.08Å; S301-F585 VanDerWaalsContact N-CE1 3.29Å; W560-F585 HydrophobicContact CZ2-CE2 4Å; N581-F585 VanDerWaalsContact O-CD2 3.29Å; N581-F585 WeakPolarHBondContact O-CD2 3.28Å; N581-F585 PolarHBondContact O-N 2.83Å; N581-F585 WeakPolarHBondContact OD1-CD2 3.38Å; N581-F585 WeakPolarHBondContact OD1-CE2 3.02Å; F585-Q587 VanDerWaalsContact C-N 3.3Å; F585-C590 WeakPolarHBondContact O-CA 3.17Å; F585-G592 WeakPolarHBondContact CE1-O 3.45Å; F585-V594 HydrophobicContact CD1-CG2 3.81Å; F585-V594 HydrophobicContact CE1-CB 4.47Å; F585-V594 HydrophobicContact CE1-CG2 4.08Å
586	R	95.8	Very high	97.7	Very high	66 Å²	66	16.4 Å²	16.4	25%	0.249	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-31.1	173.3	179.6	173.7	-62.9	176.7	0.8	113.4	F280 L285 D582 F711	F280-R586 HydrophobicContact CE2-CG 4.43Å; L285-R586 HydrophobicContact CD2-CG 4.05Å; D582-R586 WeakPolarHBondContact O-CB 3.28Å; D582-R586 PolarHBondContact O-N 3.43Å; D582-R586 VanDerWaalsContact O-N 3.11Å; R586-F711 VanDerWaalsContact NH1-CZ 3.32Å
587	Q	96.7	Very high	97.8	Very high	7 Å²	7	15 Å²	15	3%	0.033	8%	0.084	C	C	.	.	S	Bend	trans	-70.8	172.9	178.2	73.9	-171.9	-61.5	0	0	111.9	F280 L284 Q289 R584 F585 G589 C590 V594	F280-Q587 HydrophobicContact CZ-CB 4.05Å; L284-Q587 CarbonylContact O-C 3.57Å; L284-Q587 WeakPolarHBondContact O-CA 3.45Å; Q289-Q587 VanDerWaalsContact NE2-OE1 3.15Å; R584-Q587 WeakPolarHBondContact O-CG 3.32Å; R584-Q587 PolarHBondContact O-NE2 2.95Å; F585-Q587 VanDerWaalsContact C-N 3.3Å; Q587-G589 PolarHBondContact O-N 3.4Å; Q587-C590 PolarHBondContact O-N 2.83Å; Q587-V594 HydrophobicContact CG-CG2 3.92Å
588	N	97.8	Very high	97.7	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	59.1	47.4	168.8	-164.1	43.4	0	0	0	112.7	L284 E286 H288 Q289 C590 C591 Y593	L284-N588 PolarHBondContact O-N 2.9Å; E286-N588 CarbonylContact O-C 3.57Å; E286-N588 WeakPolarHBondContact O-CA 3.4Å; H288-N588 PolarHBondContact N-OD1 2.84Å; Q289-N588 WeakPolarHBondContact CB-OD1 3.49Å; Q289-N588 HydrophobicContact CG-CB 4.19Å; Q289-N588 PolarHBondContact N-OD1 2.84Å; N588-C590 VanDerWaalsContact C-N 3.29Å; N588-C590 PolarHBondContact O-N 2.79Å; N588-C591 VanDerWaalsContact O-CB 3.28Å; N588-C591 WeakPolarHBondContact O-CB 3.43Å; N588-C591 PolarHBondContact O-N 3.07Å; N588-C591 PolarHBondContact O-SG 2.86Å; N588-Y593 PolarHBondContact ND2-O 2.77Å
589	G	95.8	Very high	97.6	Very high	30 Å²	30	19.5 Å²	19.5	31%	0.309	11%	0.109	S	C	.	.	G	3₁₀ helix	trans	75	13.2	178.9	0	0	0	0	0	114.6	L285 E286 Q587 C591	L285-G589 WeakPolarHBondContact O-CA 3.35Å; L285-G589 PolarHBondContact O-N 2.76Å; E286-G589 PolarHBondContact O-N 2.8Å; Q587-G589 PolarHBondContact O-N 3.4Å; G589-C591 PolarHBondContact O-N 3.05Å
590	C	96.2	Very high	97.6	Very high	47 Å²	47	19.3 Å²	19.3	32%	0.318	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	50.1	31.1	-167.6	-164	0	0	0	0	111.7	F585 Q587 N588 G592	F585-C590 WeakPolarHBondContact O-CA 3.17Å; Q587-C590 PolarHBondContact O-N 2.83Å; N588-C590 VanDerWaalsContact C-N 3.29Å; N588-C590 PolarHBondContact O-N 2.79Å; C590-G592 PolarHBondContact O-N 3.14Å; C590-G592 VanDerWaalsContact O-N 3.16Å
591	C	97.9	Very high	97.5	Very high	5 Å²	5	21.8 Å²	21.8	3%	0.034	12%	0.117	C	C	.	.			trans	-79.1	-4.6	-164.9	85.2	0	0	0	0	112.9	L287 S374 F376 N588 G589 Y593	L287-C591 HydrophobicContact CD1-CB 4.33Å; S374-C591 WeakPolarHBondContact CB-O 3.4Å; S374-C591 PolarHBondContact OG-O 3.32Å; F376-C591 HydrophobicContact CD2-CB 3.74Å; F376-C591 HydrophobicContact CE2-CB 3.99Å; N588-C591 VanDerWaalsContact O-CB 3.28Å; N588-C591 WeakPolarHBondContact O-CB 3.43Å; N588-C591 PolarHBondContact O-N 3.07Å; N588-C591 PolarHBondContact O-SG 2.86Å; G589-C591 PolarHBondContact O-N 3.05Å; C591-Y593 VanDerWaalsContact C-N 3.34Å
592	G	98.4	Very high	97.2	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.01	14%	0.137	C	C	.	.	S	Bend	trans	83.8	3.4	179.7	0	0	0	0	0	115.6	S301 G329 F585 C590	S301-G592 PolarHBondContact N-O 3.03Å; G329-G592 WeakPolarHBondContact O-CA 3.42Å; F585-G592 WeakPolarHBondContact CE1-O 3.45Å; C590-G592 PolarHBondContact O-N 3.14Å; C590-G592 VanDerWaalsContact O-N 3.16Å
593	Y	98.9	Very high	96.7	Very high	1 Å²	1	26.5 Å²	26.5	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.8	177.5	-72.3	-87.9	0	0	0	109.9	M291 L295 Y298 F299 I300 R331 F376 P377 P422 N588 C591	M291-Y593 HydrophobicContact CE-CG 4.34Å; L295-Y593 HydrophobicContact CD1-CD1 4.42Å; L295-Y593 HydrophobicContact CD1-CE1 3.57Å; Y298-Y593 HydrophobicContact CG-CD1 4.22Å; F299-Y593 WeakPolarHBondContact O-CA 3.46Å; I300-Y593 HydrophobicContact CB-CE1 4.31Å; I300-Y593 HydrophobicContact CD1-CD1 4.5Å; I300-Y593 HydrophobicContact CD1-CE1 3.8Å; I300-Y593 HydrophobicContact CG1-CD1 3.9Å; I300-Y593 HydrophobicContact CG1-CE1 3.61Å; I300-Y593 HydrophobicContact CG2-CD1 4.5Å; I300-Y593 HydrophobicContact CG2-CE1 3.91Å; R331-Y593 HydrophobicContact CB-CD2 4.49Å; R331-Y593 HydrophobicContact CB-CE2 3.73Å; R331-Y593 HydrophobicContact CG-CD2 3.81Å; R331-Y593 HydrophobicContact CG-CE2 3.38Å; F376-Y593 HydrophobicContact CB-CD2 3.62Å; F376-Y593 HydrophobicContact CB-CE2 3.55Å; F376-Y593 HydrophobicContact CG-CD2 4.25Å; P377-Y593 HydrophobicContact CG-CE2 4.36Å; P377-Y593 WeakPolarHBondContact O-CE2 3.3Å; P377-Y593 PolarHBondContact O-OH 3.47Å; P422-Y593 HydrophobicContact CG-CD1 4.1Å; P422-Y593 HydrophobicContact CG-CE1 4.34Å; N588-Y593 PolarHBondContact ND2-O 2.77Å; C591-Y593 VanDerWaalsContact C-N 3.34Å
594	V	98.8	Very high	96.3	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.03	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	122.1	174.7	175.4	0	0	0	0	108.4	Y298 F299 R584 F585 Q587 K596	Y298-V594 CarbonylContact C-O 3.51Å; Y298-V594 VanDerWaalsContact CA-O 3.27Å; Y298-V594 WeakPolarHBondContact CA-O 3.33Å; F299-V594 HydrophobicContact CB-CB 4.45Å; F299-V594 HydrophobicContact CD2-CG1 4.46Å; F299-V594 PolarHBondContact N-O 3.49Å; F299-V594 PolarHBondContact O-N 2.86Å; R584-V594 HydrophobicContact CG-CG2 4.48Å; F585-V594 HydrophobicContact CD1-CG2 3.81Å; F585-V594 HydrophobicContact CE1-CB 4.47Å; F585-V594 HydrophobicContact CE1-CG2 4.08Å; Q587-V594 HydrophobicContact CG-CG2 3.92Å; V594-K596 PolarHBondContact O-N 2.75Å
595	L	98.8	Very high	95.9	Very high	32 Å²	32	32.9 Å²	32.9	17%	0.168	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	131.2	179.5	-173.7	66.4	0	0	0	110	Q289 D290 Q293 H297 Y298	Q289-L595 HydrophobicContact CB-CB 4.36Å; D290-L595 HydrophobicContact CB-CD2 4.41Å; Q293-L595 HydrophobicContact CB-CD1 3.94Å; Q293-L595 HydrophobicContact CG-CD1 3.81Å; H297-L595 HydrophobicContact CB-CD1 4.15Å; Y298-L595 HydrophobicContact CD1-CB 4.07Å; Y298-L595 HydrophobicContact CD1-CD1 4.07Å; Y298-L595 HydrophobicContact CE1-CB 3.95Å; Y298-L595 HydrophobicContact CE1-CD1 3.64Å; Y298-L595 HydrophobicContact CE1-CG 4.38Å; Y298-L595 HydrophobicContact CE2-CD1 4.23Å
596	K	98.7	Very high	95.5	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.009	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-69	150.9	175.9	-67.4	-169.9	-68.1	175.4	0	110.7	S296 H297 F299 N535 G563 V594 M600 R601	S296-K596 WeakPolarHBondContact O-CE 3.44Å; S296-K596 PolarHBondContact O-NZ 3.16Å; H297-K596 VanDerWaalsContact O-CB 3.27Å; H297-K596 WeakPolarHBondContact O-CB 3.38Å; H297-K596 VanDerWaalsContact O-CG 3.31Å; H297-K596 WeakPolarHBondContact O-CG 2.93Å; H297-K596 PolarHBondContact O-N 3.15Å; F299-K596 HydrophobicContact CD1-CD 4.14Å; F299-K596 HydrophobicContact CD1-CG 3.96Å; F299-K596 HydrophobicContact CD2-CG 4.06Å; F299-K596 HydrophobicContact CE1-CD 3.74Å; F299-K596 HydrophobicContact CE1-CG 3.75Å; F299-K596 HydrophobicContact CE2-CB 4.49Å; F299-K596 HydrophobicContact CE2-CG 3.86Å; F299-K596 HydrophobicContact CG-CG 4.12Å; F299-K596 HydrophobicContact CZ-CD 4.05Å; F299-K596 HydrophobicContact CZ-CG 3.71Å; N535-K596 PolarHBondContact O-NZ 3.04Å; G563-K596 PolarHBondContact O-NZ 3.09Å; V594-K596 PolarHBondContact O-N 2.75Å; K596-M600 HydrophobicContact CB-CB 4.07Å; K596-M600 HydrophobicContact CD-CB 4.26Å; K596-M600 HydrophobicContact CD-SD 4.42Å; K596-M600 PolarHBondContact NZ-O 2.87Å; K596-R601 HydrophobicContact CB-CG 4.13Å; K596-R601 VanDerWaalsContact O-CD 3.29Å; K596-R601 WeakPolarHBondContact O-CD 3.42Å; K596-R601 PolarHBondContact O-NE 3.02Å
597	P	97.2	Very high	95.5	Very high	15 Å²	15	38 Å²	38	10%	0.097	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-55.9	150.5	172.4	-24.7	35.1	0	0	0	112.1	F599 M600 E688 L689	P597-F599 HydrophobicContact CB-CD1 3.82Å; P597-F599 HydrophobicContact CB-CE1 3.32Å; P597-F599 HydrophobicContact CB-CE2 4.12Å; P597-F599 HydrophobicContact CB-CG 4.4Å; P597-F599 HydrophobicContact CB-CZ 3.49Å; P597-F599 VanDerWaalsContact CB-CZ 3.49Å; P597-F599 HydrophobicContact CG-CE1 4.13Å; P597-F599 HydrophobicContact CG-CZ 3.87Å; P597-F599 PolarHBondContact O-N 3.05Å; P597-F599 VanDerWaalsContact O-N 3.13Å; P597-M600 WeakPolarHBondContact O-CA 3.35Å; P597-M600 WeakPolarHBondContact O-CB 3.45Å; P597-M600 PolarHBondContact O-N 2.87Å; P597-E688 HydrophobicContact CB-CB 3.94Å; P597-E688 HydrophobicContact CG-CB 3.7Å; P597-L689 HydrophobicContact CG-CD2 3.66Å; P597-L689 HydrophobicContact CG-CG 4.04Å
598	D	96	Very high	95.4	Very high	115 Å²	115	39 Å²	39	62%	0.615	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-52.9	-40.8	-173.7	-65.1	8.9	0	0	0	112.9	M600 R601 D602	D598-M600 PolarHBondContact O-N 3.41Å; D598-M600 VanDerWaalsContact O-N 3.13Å; D598-R601 PolarHBondContact O-N 2.94Å; D598-R601 IonicContact OD1-CZ 2.63Å; D598-R601 IonicContact OD1-NE 2.77Å; D598-R601 IonicContact OD1-NH2 3.71Å; D598-R601 PolarHBondContact OD1-NH2 3.12Å; D598-R601 IonicContact OD2-NH2 3.85Å; D598-D602 PolarHBondContact O-N 3.48Å
599	F	95.8	Very high	95.3	Very high	32 Å²	32	39.3 Å²	39.3	14%	0.14	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-67.6	-10.1	178.5	61.3	-101.6	0	0	0	114.2	P597 S605 F607 E688 L689	P597-F599 HydrophobicContact CB-CD1 3.82Å; P597-F599 HydrophobicContact CB-CE1 3.32Å; P597-F599 HydrophobicContact CB-CE2 4.12Å; P597-F599 HydrophobicContact CB-CG 4.4Å; P597-F599 HydrophobicContact CB-CZ 3.49Å; P597-F599 VanDerWaalsContact CB-CZ 3.49Å; P597-F599 HydrophobicContact CG-CE1 4.13Å; P597-F599 HydrophobicContact CG-CZ 3.87Å; P597-F599 PolarHBondContact O-N 3.05Å; P597-F599 VanDerWaalsContact O-N 3.13Å; F599-S605 WeakPolarHBondContact O-CB 3.41Å; F599-S605 PolarHBondContact O-OG 3.37Å; F599-F607 HydrophobicContact CB-CB 4.39Å; F599-F607 HydrophobicContact CD2-CB 3.81Å; F599-F607 AromaticContact CD2-CD1 3.72Å; F599-F607 HydrophobicContact CD2-CD1 3.72Å; F599-F607 AromaticContact CD2-CD2 3.72Å; F599-F607 HydrophobicContact CD2-CD2 3.72Å; F599-F607 HydrophobicContact CD2-CE1 4.21Å; F599-F607 HydrophobicContact CD2-CE2 4.19Å; F599-F607 AromaticContact CD2-CG 3.45Å; F599-F607 HydrophobicContact CD2-CG 3.45Å; F599-F607 VanDerWaalsContact CD2-CG 3.45Å; F599-F607 HydrophobicContact CD2-CZ 4.41Å; F599-F607 AromaticContact CE2-CD1 3.8Å; F599-F607 HydrophobicContact CE2-CD1 3.8Å; F599-F607 AromaticContact CE2-CD2 3.76Å; F599-F607 HydrophobicContact CE2-CD2 3.76Å; F599-F607 AromaticContact CE2-CE1 3.79Å; F599-F607 HydrophobicContact CE2-CE1 3.79Å; F599-F607 AromaticContact CE2-CE2 3.73Å; F599-F607 HydrophobicContact CE2-CE2 3.73Å; F599-F607 AromaticContact CE2-CG 3.78Å; F599-F607 HydrophobicContact CE2-CG 3.78Å; F599-F607 AromaticContact CE2-CZ 3.74Å; F599-F607 HydrophobicContact CE2-CZ 3.74Å; F599-F607 HydrophobicContact CG-CB 4.46Å; F599-F607 HydrophobicContact CG-CG 4.42Å; F599-F607 HydrophobicContact CZ-CE2 4.37Å; F599-E688 HydrophobicContact CE1-CB 4.36Å; F599-L689 HydrophobicContact CE2-CD1 3.9Å; F599-L689 HydrophobicContact CE2-CG 4.43Å; F599-L689 HydrophobicContact CZ-CD1 3.86Å; F599-L689 HydrophobicContact CZ-CG 4Å
600	M	97.1	Very high	95.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-101.8	-3	171.9	-71.2	-173.3	159.7	0	0	113.6	F299 V532 W560 N561 K596 P597 D598 F607 L689	F299-M600 HydrophobicContact CZ-SD 4.05Å; V532-M600 HydrophobicContact CG1-CB 4.5Å; V532-M600 HydrophobicContact CG1-CG 4.23Å; W560-M600 WeakPolarHBondContact O-CE 3.43Å; N561-M600 VanDerWaalsContact C-CE 3.48Å; N561-M600 WeakPolarHBondContact O-CE 3.29Å; K596-M600 HydrophobicContact CB-CB 4.07Å; K596-M600 HydrophobicContact CD-CB 4.26Å; K596-M600 HydrophobicContact CD-SD 4.42Å; K596-M600 PolarHBondContact NZ-O 2.87Å; P597-M600 WeakPolarHBondContact O-CA 3.35Å; P597-M600 WeakPolarHBondContact O-CB 3.45Å; P597-M600 PolarHBondContact O-N 2.87Å; D598-M600 PolarHBondContact O-N 3.41Å; D598-M600 VanDerWaalsContact O-N 3.13Å; M600-F607 HydrophobicContact CE-CD1 4.27Å; M600-F607 HydrophobicContact CE-CE1 3.6Å; M600-F607 HydrophobicContact CE-CZ 4.36Å; M600-F607 HydrophobicContact CG-CD1 4.49Å; M600-L689 HydrophobicContact CE-CD1 3.47Å; M600-L689 VanDerWaalsContact CE-CD1 3.47Å; M600-L689 HydrophobicContact CE-CD2 3.75Å; M600-L689 HydrophobicContact CE-CG 4.24Å; M600-L689 HydrophobicContact SD-CD1 4.39Å; M600-L689 HydrophobicContact SD-CD2 3.72Å
601	R	96.7	Very high	95.2	Very high	51 Å²	51	45.3 Å²	45.3	19%	0.192	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-15	178.2	-59.1	-170.2	-67.5	135.8	-7.7	111.8	Q293 H297 K596 D598	Q293-R601 VanDerWaalsContact OE1-NH1 3.08Å; H297-R601 HydrophobicContact CB-CG 3.96Å; H297-R601 PolarHBondContact NE2-O 2.82Å; K596-R601 HydrophobicContact CB-CG 4.13Å; K596-R601 VanDerWaalsContact O-CD 3.29Å; K596-R601 WeakPolarHBondContact O-CD 3.42Å; K596-R601 PolarHBondContact O-NE 3.02Å; D598-R601 PolarHBondContact O-N 2.94Å; D598-R601 IonicContact OD1-CZ 2.63Å; D598-R601 IonicContact OD1-NE 2.77Å; D598-R601 IonicContact OD1-NH2 3.71Å; D598-R601 PolarHBondContact OD1-NH2 3.12Å; D598-R601 IonicContact OD2-NH2 3.85Å
602	D	92.9	Very high	95	Very high	80 Å²	80	45 Å²	45	43%	0.428	22%	0.224	S	C	.	.			trans	-84.8	122.8	175.3	-175.7	4.9	0	0	0	111.8	D598 D604 S605	D598-D602 PolarHBondContact O-N 3.48Å; D602-D604 PolarHBondContact O-N 2.98Å; D602-D604 PolarHBondContact OD1-N 3.43Å; D602-S605 WeakPolarHBondContact O-CB 3.34Å; D602-S605 PolarHBondContact O-N 3.31Å
603	A	86.3	Confident	94.8	Very high	52 Å²	52	48.4 Å²	48.4	43%	0.43	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.3	177	0	0	0	0	0	113.1	R533	R533-A603 WeakPolarHBondContact CD-O 3.44Å; R533-A603 VanDerWaalsContact CG-O 3.31Å; R533-A603 WeakPolarHBondContact CG-O 3.46Å
604	D	89.8	Confident	94.5	Very high	134 Å²	134	51.8 Å²	51.8	72%	0.717	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	13.3	177.6	-66.8	-43.7	0	0	0	112.6	D602 R606	D602-D604 PolarHBondContact O-N 2.98Å; D602-D604 PolarHBondContact OD1-N 3.43Å; D604-R606 PolarHBondContact O-N 2.86Å
605	S	90.1	Very high	94.1	Very high	7 Å²	7	52 Å²	52	5%	0.049	26%	0.258	C	S	.	.			trans	-52.7	139.5	-176.8	-177.8	0	0	0	0	113.3	R533 F599 D602 F607	R533-S605 VanDerWaalsContact CZ-O 3.29Å; R533-S605 PolarHBondContact NE-O 3.42Å; R533-S605 PolarHBondContact NH2-O 3.3Å; F599-S605 WeakPolarHBondContact O-CB 3.41Å; F599-S605 PolarHBondContact O-OG 3.37Å; D602-S605 WeakPolarHBondContact O-CB 3.34Å; D602-S605 PolarHBondContact O-N 3.31Å; S605-F607 VanDerWaalsContact OG-CB 3.32Å; S605-F607 WeakPolarHBondContact OG-CB 2.9Å; S605-F607 PolarHBondContact OG-N 3.18Å; S605-F607 VanDerWaalsContact OG-N 3.07Å
606	R	90.1	Very high	93.7	Very high	182 Å²	182	55.6 Å²	55.6	69%	0.687	28%	0.282	S	S	*	.			trans	-96	1.6	171.4	-65.1	-174.8	176.3	-130.2	-1.3	113	D604 S608	D604-R606 PolarHBondContact O-N 2.86Å; R606-S608 PolarHBondContact O-N 2.97Å
607	F	95.4	Very high	93.2	Very high	1 Å²	1	58.2 Å²	58.2	0%	0.004	31%	0.31	C	S	.	.			trans	-64	132.2	179.8	176	-106.7	0	0	0	111	V532 F599 M600 S605 P609 P612 R615 V655 L689	V532-F607 HydrophobicContact CG1-CD1 4.28Å; V532-F607 HydrophobicContact CG2-CD1 4.01Å; V532-F607 HydrophobicContact CG2-CE1 4.34Å; F599-F607 HydrophobicContact CB-CB 4.39Å; F599-F607 HydrophobicContact CD2-CB 3.81Å; F599-F607 AromaticContact CD2-CD1 3.72Å; F599-F607 HydrophobicContact CD2-CD1 3.72Å; F599-F607 AromaticContact CD2-CD2 3.72Å; F599-F607 HydrophobicContact CD2-CD2 3.72Å; F599-F607 HydrophobicContact CD2-CE1 4.21Å; F599-F607 HydrophobicContact CD2-CE2 4.19Å; F599-F607 AromaticContact CD2-CG 3.45Å; F599-F607 HydrophobicContact CD2-CG 3.45Å; F599-F607 VanDerWaalsContact CD2-CG 3.45Å; F599-F607 HydrophobicContact CD2-CZ 4.41Å; F599-F607 AromaticContact CE2-CD1 3.8Å; F599-F607 HydrophobicContact CE2-CD1 3.8Å; F599-F607 AromaticContact CE2-CD2 3.76Å; F599-F607 HydrophobicContact CE2-CD2 3.76Å; F599-F607 AromaticContact CE2-CE1 3.79Å; F599-F607 HydrophobicContact CE2-CE1 3.79Å; F599-F607 AromaticContact CE2-CE2 3.73Å; F599-F607 HydrophobicContact CE2-CE2 3.73Å; F599-F607 AromaticContact CE2-CG 3.78Å; F599-F607 HydrophobicContact CE2-CG 3.78Å; F599-F607 AromaticContact CE2-CZ 3.74Å; F599-F607 HydrophobicContact CE2-CZ 3.74Å; F599-F607 HydrophobicContact CG-CB 4.46Å; F599-F607 HydrophobicContact CG-CG 4.42Å; F599-F607 HydrophobicContact CZ-CE2 4.37Å; M600-F607 HydrophobicContact CE-CD1 4.27Å; M600-F607 HydrophobicContact CE-CE1 3.6Å; M600-F607 HydrophobicContact CE-CZ 4.36Å; M600-F607 HydrophobicContact CG-CD1 4.49Å; S605-F607 VanDerWaalsContact OG-CB 3.32Å; S605-F607 WeakPolarHBondContact OG-CB 2.9Å; S605-F607 PolarHBondContact OG-N 3.18Å; S605-F607 VanDerWaalsContact OG-N 3.07Å; F607-P609 HydrophobicContact CE1-CG 4.04Å; F607-P609 HydrophobicContact CZ-CG 4.48Å; F607-P612 HydrophobicContact CE2-CB 4.09Å; F607-R615 HydrophobicContact CB-CB 4.44Å; F607-R615 HydrophobicContact CD2-CB 4.35Å; F607-V655 HydrophobicContact CE2-CG1 4.44Å; F607-V655 HydrophobicContact CZ-CG1 3.85Å; F607-L689 HydrophobicContact CE1-CD1 4.23Å; F607-L689 HydrophobicContact CZ-CD1 3.78Å
608	S	94.6	Very high	93.1	Very high	26 Å²	26	60.6 Å²	60.6	18%	0.182	32%	0.318	C	S	.	.			trans	-126.8	132.2	168	178.6	0	0	0	0	108.3	R606 D610 R611 P612	R606-S608 PolarHBondContact O-N 2.97Å; S608-D610 VanDerWaalsContact C-N 3.26Å; S608-D610 PolarHBondContact O-N 3.23Å; S608-R611 CarbonylContact O-C 3.53Å; S608-R611 PolarHBondContact O-N 3.22Å; S608-R611 VanDerWaalsContact O-N 3.14Å; S608-P612 VanDerWaalsContact O-N 3.12Å
609	P	95.3	Very high	93	Very high	7 Å²	7	61.1 Å²	61.1	5%	0.045	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-36.7	177.3	-27.2	37.5	0	0	0	113.4	N561 V562 F607 R611 P612 V655 P656	N561-P609 HydrophobicContact CB-CB 4.22Å; N561-P609 HydrophobicContact CB-CG 4.36Å; N561-P609 VanDerWaalsContact O-CG 3.23Å; N561-P609 WeakPolarHBondContact O-CG 3.4Å; V562-P609 HydrophobicContact CG1-CG 3.94Å; F607-P609 HydrophobicContact CE1-CG 4.04Å; F607-P609 HydrophobicContact CZ-CG 4.48Å; P609-R611 VanDerWaalsContact C-N 3.29Å; P609-R611 PolarHBondContact O-N 2.75Å; P609-P612 WeakPolarHBondContact O-CD 3.49Å; P609-V655 HydrophobicContact CB-CG1 4.45Å; P609-V655 WeakPolarHBondContact O-CB 3.38Å; P609-P656 WeakPolarHBondContact O-CD 3.5Å
610	D	95.3	Very high	93	Very high	77 Å²	77	60.5 Å²	60.5	41%	0.412	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-23.6	-179.6	-66.3	-35.5	0	0	0	112.7	S608 Q657	S608-D610 VanDerWaalsContact C-N 3.26Å; S608-D610 PolarHBondContact O-N 3.23Å; D610-Q657 PolarHBondContact O-NE2 2.84Å
611	R	94.5	Very high	93	Very high	126 Å²	126	60.9 Å²	60.9	48%	0.475	32%	0.317	S	S	.	.			trans	-134.7	63	-176.7	-59.2	-167.9	68.6	-145.8	-12.6	111	S608 P609 E613 D614	S608-R611 CarbonylContact O-C 3.53Å; S608-R611 PolarHBondContact O-N 3.22Å; S608-R611 VanDerWaalsContact O-N 3.14Å; P609-R611 VanDerWaalsContact C-N 3.29Å; P609-R611 PolarHBondContact O-N 2.75Å; R611-E613 VanDerWaalsContact C-OE2 3.27Å; R611-E613 WeakPolarHBondContact CA-OE2 3.37Å; R611-E613 IonicContact NE-OE1 3.37Å; R611-E613 PolarHBondContact NE-OE1 3.1Å; R611-E613 IonicContact NH2-OE1 3.03Å; R611-E613 PolarHBondContact O-N 2.67Å; R611-E613 VanDerWaalsContact O-N 3.15Å; R611-D614 WeakPolarHBondContact CB-OD2 3.49Å; R611-D614 IonicContact CZ-OD1 3.8Å; R611-D614 IonicContact CZ-OD2 2.73Å; R611-D614 IonicContact NE-OD2 2.78Å; R611-D614 PolarHBondContact NE-OD2 2.86Å; R611-D614 IonicContact NH1-OD1 3.17Å; R611-D614 IonicContact NH1-OD2 3.6Å; R611-D614 PolarHBondContact NH1-OD2 2.9Å; R611-D614 IonicContact NH2-OD1 3.4Å; R611-D614 PolarHBondContact NH2-OD1 2.93Å; R611-D614 IonicContact NH2-OD2 2.77Å; R611-D614 PolarHBondContact NH2-OD2 3.34Å; R611-D614 PolarHBondContact O-N 3.11Å; R611-D614 VanDerWaalsContact O-N 3.16Å
612	P	94.4	Very high	93.1	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-58.6	-25.8	179.7	28	-38.2	0	0	0	112.2	F607 S608 P609 D614 R615 Y618 V655 H685	F607-P612 HydrophobicContact CE2-CB 4.09Å; S608-P612 VanDerWaalsContact O-N 3.12Å; P609-P612 WeakPolarHBondContact O-CD 3.49Å; P612-D614 VanDerWaalsContact C-N 3.25Å; P612-D614 PolarHBondContact O-N 2.73Å; P612-R615 WeakPolarHBondContact O-CB 3.48Å; P612-R615 WeakPolarHBondContact O-CD 3.42Å; P612-R615 WeakPolarHBondContact O-CG 3.42Å; P612-R615 PolarHBondContact O-N 3.45Å; P612-Y618 HydrophobicContact CB-CD2 4.47Å; P612-Y618 HydrophobicContact CB-CE2 4.17Å; P612-Y618 HydrophobicContact CG-CE2 4.34Å; P612-Y618 WeakPolarHBondContact O-CD2 3.19Å; P612-V655 HydrophobicContact CB-CG2 4.47Å; P612-V655 HydrophobicContact CG-CG2 4.16Å; P612-H685 HydrophobicContact CG-CB 3.9Å
613	E	94.3	Very high	93.3	Very high	71 Å²	71	60 Å²	60	33%	0.332	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-66	-21.3	179	70.6	-80.3	-178.4	0	0	114.5	R611 R615 Y618 Q657	R611-E613 VanDerWaalsContact C-OE2 3.27Å; R611-E613 WeakPolarHBondContact CA-OE2 3.37Å; R611-E613 IonicContact NE-OE1 3.37Å; R611-E613 PolarHBondContact NE-OE1 3.1Å; R611-E613 IonicContact NH2-OE1 3.03Å; R611-E613 PolarHBondContact O-N 2.67Å; R611-E613 VanDerWaalsContact O-N 3.15Å; E613-R615 PolarHBondContact O-N 2.91Å; E613-Y618 HydrophobicContact CB-CD1 4.01Å; E613-Y618 HydrophobicContact CB-CD2 4.45Å; E613-Y618 HydrophobicContact CB-CE1 3.84Å; E613-Y618 HydrophobicContact CB-CE2 4.31Å; E613-Y618 HydrophobicContact CB-CG 4.32Å; E613-Q657 PolarHBondContact OE2-NE2 3.3Å; E613-Q657 VanDerWaalsContact OE2-NE2 3.09Å
614	D	91.6	Very high	93.9	Very high	73 Å²	73	58.5 Å²	58.5	39%	0.39	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-75.3	-9.9	178.6	-72	-21.2	0	0	0	112.5	R611 P612	R611-D614 WeakPolarHBondContact CB-OD2 3.49Å; R611-D614 IonicContact CZ-OD1 3.8Å; R611-D614 IonicContact CZ-OD2 2.73Å; R611-D614 IonicContact NE-OD2 2.78Å; R611-D614 PolarHBondContact NE-OD2 2.86Å; R611-D614 IonicContact NH1-OD1 3.17Å; R611-D614 IonicContact NH1-OD2 3.6Å; R611-D614 PolarHBondContact NH1-OD2 2.9Å; R611-D614 IonicContact NH2-OD1 3.4Å; R611-D614 PolarHBondContact NH2-OD1 2.93Å; R611-D614 IonicContact NH2-OD2 2.77Å; R611-D614 PolarHBondContact NH2-OD2 3.34Å; R611-D614 PolarHBondContact O-N 3.11Å; R611-D614 VanDerWaalsContact O-N 3.16Å; P612-D614 VanDerWaalsContact C-N 3.25Å; P612-D614 PolarHBondContact O-N 2.73Å
615	R	92	Very high	94.4	Very high	10 Å²	10	52.2 Å²	52.2	4%	0.038	26%	0.26	C	S	.	.	S	Bend	trans	-78.7	142.3	-177.2	87	-168.6	-172.2	-168.8	1.6	111.8	F607 P612 E613 G617 Y618 S686 E688	F607-R615 HydrophobicContact CB-CB 4.44Å; F607-R615 HydrophobicContact CD2-CB 4.35Å; P612-R615 WeakPolarHBondContact O-CB 3.48Å; P612-R615 WeakPolarHBondContact O-CD 3.42Å; P612-R615 WeakPolarHBondContact O-CG 3.42Å; P612-R615 PolarHBondContact O-N 3.45Å; E613-R615 PolarHBondContact O-N 2.91Å; R615-G617 PolarHBondContact O-N 3.19Å; R615-Y618 PolarHBondContact O-N 3.22Å; R615-S686 PolarHBondContact NH1-OG 3.04Å; R615-E688 IonicContact CZ-OE2 2.83Å; R615-E688 IonicContact NH1-OE2 2.75Å; R615-E688 IonicContact NH2-OE1 3.84Å; R615-E688 PolarHBondContact NH2-OE1 2.96Å; R615-E688 IonicContact NH2-OE2 3.69Å; R615-E688 PolarHBondContact NH2-OE2 3.44Å
616	P	89.6	Confident	94.8	Very high	106 Å²	106	54.6 Å²	54.6	69%	0.688	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	135.6	167.2	-21.5	33.1	0	0	0	111.2
617	G	89.3	Confident	95.2	Very high	58 Å²	58	45.9 Å²	45.9	60%	0.598	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	74	23.6	-179.5	0	0	0	0	0	114.3	R615 K619	R615-G617 PolarHBondContact O-N 3.19Å; G617-K619 PolarHBondContact O-N 3.22Å
618	Y	93.9	Very high	95.3	Very high	65 Å²	65	46.2 Å²	46.2	26%	0.255	24%	0.24	S	C	.	.			trans	-55.1	121.5	169.8	178.6	-114.7	0	0	0	111.3	P612 E613 R615 P620 H685	P612-Y618 HydrophobicContact CB-CD2 4.47Å; P612-Y618 HydrophobicContact CB-CE2 4.17Å; P612-Y618 HydrophobicContact CG-CE2 4.34Å; P612-Y618 WeakPolarHBondContact O-CD2 3.19Å; E613-Y618 HydrophobicContact CB-CD1 4.01Å; E613-Y618 HydrophobicContact CB-CD2 4.45Å; E613-Y618 HydrophobicContact CB-CE1 3.84Å; E613-Y618 HydrophobicContact CB-CE2 4.31Å; E613-Y618 HydrophobicContact CB-CG 4.32Å; R615-Y618 PolarHBondContact O-N 3.22Å; Y618-P620 HydrophobicContact CD1-CG 4.44Å; Y618-P620 HydrophobicContact CE1-CB 4.39Å; Y618-P620 HydrophobicContact CE1-CG 3.71Å; Y618-H685 HydrophobicContact CE2-CB 4.05Å; Y618-H685 VanDerWaalsContact CE2-O 3.23Å; Y618-H685 WeakPolarHBondContact CE2-O 3.36Å; Y618-H685 AromaticContact CZ-ND1 3.95Å; Y618-H685 PolarHBondContact OH-ND1 2.78Å
619	K	93.9	Very high	95.4	Very high	126 Å²	126	45 Å²	45	55%	0.548	23%	0.231	S	C	.	.			trans	-140.1	85.8	-176.1	-73.5	-174.3	174.4	-161.1	0	109.9	G617 E748	G617-K619 PolarHBondContact O-N 3.22Å; K619-E748 IonicContact NZ-OE1 3.87Å
620	P	96.3	Very high	95.4	Very high	19 Å²	19	44.7 Å²	44.7	12%	0.123	23%	0.229	C	C	.	.			trans	-69.1	149.1	174.7	26.8	-28.8	0	0	0	110.7	Y618 V684 L749	Y618-P620 HydrophobicContact CD1-CG 4.44Å; Y618-P620 HydrophobicContact CE1-CB 4.39Å; Y618-P620 HydrophobicContact CE1-CG 3.71Å; P620-V684 CarbonylContact C-O 3.46Å; P620-V684 VanDerWaalsContact CA-O 3.25Å; P620-V684 WeakPolarHBondContact CA-O 3.13Å; P620-L749 HydrophobicContact CB-CB 4.29Å; P620-L749 HydrophobicContact CB-CD1 4.26Å; P620-L749 HydrophobicContact CG-CB 3.95Å; P620-L749 PolarHBondContact O-N 2.94Å
621	A	97.5	Very high	95.1	Very high	8 Å²	8	42.4 Å²	42.4	7%	0.066	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	143.2	177.4	0	0	0	0	0	110.5	V684 P687 F715 V746 S747	A621-V684 PolarHBondContact N-O 3.01Å; A621-V684 PolarHBondContact O-N 2.9Å; A621-P687 HydrophobicContact CB-CG 3.86Å; A621-F715 HydrophobicContact CB-CE1 4.49Å; A621-F715 HydrophobicContact CB-CZ 3.82Å; A621-V746 HydrophobicContact CB-CG1 4.04Å; A621-S747 WeakPolarHBondContact CA-O 3.46Å
622	R	97.9	Very high	94.6	Very high	113 Å²	113	37.9 Å²	37.9	43%	0.426	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	118.1	165.7	179.3	178.7	177.5	174.4	-1.1	108.9	N681 F682 V746 S747 L749	R622-N681 PolarHBondContact NE-OD1 3.32Å; R622-N681 PolarHBondContact NH2-OD1 3.47Å; R622-F682 CarbonylContact C-O 3.54Å; R622-F682 WeakPolarHBondContact CA-O 3.41Å; R622-V746 WeakPolarHBondContact O-CA 3.27Å; R622-S747 PolarHBondContact N-O 3.17Å; R622-S747 PolarHBondContact O-N 3.49Å; R622-L749 HydrophobicContact CB-CD1 4.07Å; R622-L749 HydrophobicContact CB-CD2 4.18Å; R622-L749 HydrophobicContact CB-CG 3.95Å
623	L	98.3	Very high	94.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	123.5	172.4	174.1	63.8	0	0	0	109.1	I625 I652 N681 F682 V684 V692 F715 I718 V744 V746	L623-I625 HydrophobicContact CD1-CD1 4.23Å; L623-I625 HydrophobicContact CD1-CG1 4.03Å; L623-I625 HydrophobicContact CD2-CD1 3.83Å; L623-I625 HydrophobicContact CD2-CG1 4.47Å; L623-I625 HydrophobicContact CG-CD1 3.95Å; L623-I625 HydrophobicContact CG-CG1 4.05Å; L623-I652 HydrophobicContact CD2-CD1 3.99Å; L623-N681 WeakPolarHBondContact O-CA 3.4Å; L623-F682 HydrophobicContact CB-CB 4.3Å; L623-F682 HydrophobicContact CD2-CD2 4.41Å; L623-F682 HydrophobicContact CG-CD2 4.48Å; L623-F682 PolarHBondContact N-O 2.96Å; L623-F682 PolarHBondContact O-N 3.23Å; L623-V684 HydrophobicContact CB-CG2 4.48Å; L623-V692 HydrophobicContact CD2-CG1 4.5Å; L623-V692 HydrophobicContact CD2-CG2 4Å; L623-F715 HydrophobicContact CB-CE2 4Å; L623-F715 HydrophobicContact CD1-CE2 4.48Å; L623-F715 HydrophobicContact CD2-CD2 4.28Å; L623-F715 HydrophobicContact CD2-CE2 4.15Å; L623-F715 HydrophobicContact CG-CE2 4.46Å; L623-I718 HydrophobicContact CD2-CD1 4.48Å; L623-V744 HydrophobicContact CD1-CG1 3.78Å; L623-V746 HydrophobicContact CD1-CG2 3.82Å
624	S	98.4	Very high	93.7	Very high	20 Å²	20	36.7 Å²	36.7	14%	0.14	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124.4	173.4	-156.2	0	0	0	0	108.9	T679 L680 N681 S745	S624-T679 WeakPolarHBondContact OG-CG2 3.44Å; S624-L680 WeakPolarHBondContact CA-O 3.15Å; S624-N681 PolarHBondContact OG-OD1 3.09Å; S624-S745 WeakPolarHBondContact CB-OG 3.38Å; S624-S745 PolarHBondContact N-O 2.87Å; S624-S745 PolarHBondContact O-N 2.6Å
625	I	98.7	Very high	93.1	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	110	179.3	-65.3	161.1	0	0	0	107.6	L623 V627 V650 T679 L680 F682 V692 F694 V742 V744	L623-I625 HydrophobicContact CD1-CD1 4.23Å; L623-I625 HydrophobicContact CD1-CG1 4.03Å; L623-I625 HydrophobicContact CD2-CD1 3.83Å; L623-I625 HydrophobicContact CD2-CG1 4.47Å; L623-I625 HydrophobicContact CG-CD1 3.95Å; L623-I625 HydrophobicContact CG-CG1 4.05Å; I625-V627 HydrophobicContact CG2-CG2 4.14Å; I625-V627 PolarHBondContact O-N 2.89Å; I625-V650 HydrophobicContact CD1-CG1 3.77Å; I625-T679 WeakPolarHBondContact O-CA 3.26Å; I625-L680 PolarHBondContact N-O 2.62Å; I625-L680 PolarHBondContact O-N 3.09Å; I625-F682 HydrophobicContact CD1-CE2 4.37Å; I625-V692 HydrophobicContact CD1-CG1 4.42Å; I625-F694 HydrophobicContact CD1-CE1 3.86Å; I625-F694 HydrophobicContact CD1-CZ 3.88Å; I625-F694 HydrophobicContact CG2-CE1 4.21Å; I625-V742 HydrophobicContact CG2-CB 4.23Å; I625-V742 HydrophobicContact CG2-CG1 4.17Å; I625-V744 HydrophobicContact CG1-CG1 4.35Å
626	Q	98.6	Very high	92.2	Very high	57 Å²	57	38.8 Å²	38.8	27%	0.266	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	109.5	166.8	-170.8	-179.7	25	0	0	108.7	I628 E678 V742 N743	Q626-I628 HydrophobicContact CG-CG1 4.07Å; Q626-I628 PolarHBondContact O-N 3.44Å; Q626-E678 CarbonylContact C-O 3.48Å; Q626-E678 WeakPolarHBondContact CA-O 3.45Å; Q626-V742 CarbonylContact O-C 3.56Å; Q626-V742 WeakPolarHBondContact O-CA 3.36Å; Q626-V742 WeakPolarHBondContact O-CB 3.02Å; Q626-N743 HydrophobicContact CB-CB 4.17Å; Q626-N743 PolarHBondContact N-O 2.61Å; Q626-N743 PolarHBondContact O-N 2.92Å
627	V	98.8	Very high	91	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	107.7	170.4	-175.9	0	0	0	0	108	I625 V648 T664 W676 N677 E678 L680 V740	I625-V627 HydrophobicContact CG2-CG2 4.14Å; I625-V627 PolarHBondContact O-N 2.89Å; V627-V648 HydrophobicContact CG1-CB 3.9Å; V627-V648 HydrophobicContact CG1-CG1 4.18Å; V627-V648 HydrophobicContact CG1-CG2 3.78Å; V627-V648 HydrophobicContact CG2-CB 4.48Å; V627-V648 HydrophobicContact CG2-CG1 4.21Å; V627-T664 HydrophobicContact CB-CG2 3.74Å; V627-T664 HydrophobicContact CG1-CG2 3.92Å; V627-T664 HydrophobicContact CG2-CG2 3.92Å; V627-W676 HydrophobicContact CG1-CD2 4.34Å; V627-W676 HydrophobicContact CG1-CE3 3.92Å; V627-W676 HydrophobicContact CG1-CZ3 4.48Å; V627-N677 VanDerWaalsContact O-CA 3.3Å; V627-N677 WeakPolarHBondContact O-CA 3.44Å; V627-N677 PolarHBondContact O-N 3.24Å; V627-E678 PolarHBondContact N-O 3.18Å; V627-E678 PolarHBondContact O-N 3Å; V627-L680 HydrophobicContact CG2-CD1 4.15Å; V627-L680 HydrophobicContact CG2-CG 4.49Å; V627-V740 HydrophobicContact CG1-CG1 4.03Å
628	I	98.4	Very high	89.5	Confident	8 Å²	8	40.9 Å²	40.9	4%	0.041	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-61.4	-172.8	-57.6	172.2	0	0	0	109.1	E206 Q626 V675 W676 N677 Y722 F741 N743	E206-I628 HydrophobicContact CB-CG2 3.92Å; E206-I628 HydrophobicContact CG-CG2 3.67Å; Q626-I628 HydrophobicContact CG-CG1 4.07Å; Q626-I628 PolarHBondContact O-N 3.44Å; I628-V675 CarbonylContact O-C 3.45Å; I628-V675 WeakPolarHBondContact O-CA 3.2Å; I628-V675 WeakPolarHBondContact O-CG1 3.47Å; I628-W676 PolarHBondContact O-N 2.88Å; I628-N677 WeakPolarHBondContact CG2-OD1 3.49Å; I628-N677 PolarHBondContact O-N 3.44Å; I628-Y722 HydrophobicContact CD1-CD1 3.68Å; I628-Y722 HydrophobicContact CD1-CE1 3.61Å; I628-F741 HydrophobicContact CB-CD1 3.98Å; I628-F741 WeakPolarHBondContact CB-O 3.13Å; I628-F741 HydrophobicContact CD1-CD1 3.87Å; I628-F741 HydrophobicContact CD1-CE1 3.78Å; I628-F741 HydrophobicContact CD1-CZ 4.5Å; I628-F741 HydrophobicContact CG2-CD1 3.94Å; I628-F741 HydrophobicContact CG2-CE1 4.38Å; I628-F741 PolarHBondContact N-O 2.86Å; I628-N743 HydrophobicContact CD1-CB 4.07Å
629	S	97.4	Very high	88	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.007	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	173.3	-174.8	62.2	0	0	0	0	112.1	R204 E206 P674 V740 F741	R204-S629 PolarHBondContact NH2-OG 2.65Å; E206-S629 WeakPolarHBondContact OE1-CB 3.47Å; E206-S629 PolarHBondContact OE1-OG 2.64Å; S629-P674 CarbonylContact C-O 3.47Å; S629-P674 WeakPolarHBondContact CA-O 3.32Å; S629-P674 WeakPolarHBondContact CB-O 3.27Å; S629-V740 CarbonylContact O-C 3.59Å; S629-V740 WeakPolarHBondContact O-CA 3.19Å; S629-V740 WeakPolarHBondContact O-CG1 3.29Å; S629-F741 PolarHBondContact N-O 3.24Å; S629-F741 PolarHBondContact O-N 3.07Å
630	A	95.2	Very high	86.2	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	166.6	167.1	0	0	0	0	0	109.6	L633 N673 P674 W676 S739 V740	A630-L633 HydrophobicContact CB-CD1 4.23Å; A630-L633 HydrophobicContact CB-CD2 4.13Å; A630-L633 HydrophobicContact CB-CG 4.28Å; A630-N673 WeakPolarHBondContact O-CA 3.28Å; A630-P674 HydrophobicContact CB-CG 3.9Å; A630-P674 PolarHBondContact N-O 3.25Å; A630-P674 WeakPolarHBondContact O-CD 3.49Å; A630-W676 HydrophobicContact CB-CH2 3.85Å; A630-W676 HydrophobicContact CB-CZ3 3.65Å; A630-S739 CarbonylContact C-O 3.56Å; A630-S739 WeakPolarHBondContact CA-O 3.2Å; A630-S739 VanDerWaalsContact CB-O 3.31Å; A630-S739 WeakPolarHBondContact CB-O 3.34Å; A630-V740 HydrophobicContact CB-CG2 4.12Å
631	Q	88.9	Confident	84.5	Confident	28 Å²	28	49.6 Å²	49.6	13%	0.131	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	140.5	-179.3	61	-169.6	46.7	0	0	111.3	L633 F672 H724 P737 S738 S739	Q631-L633 VanDerWaalsContact C-N 3.32Å; Q631-L633 PolarHBondContact O-N 3.3Å; Q631-F672 CarbonylContact C-O 3.52Å; Q631-F672 WeakPolarHBondContact CA-O 3.06Å; Q631-H724 PolarHBondContact OE1-CE1 3.35Å; Q631-P737 PolarHBondContact NE2-O 3.07Å; Q631-S738 VanDerWaalsContact O-CA 3.27Å; Q631-S738 WeakPolarHBondContact O-CA 3.48Å; Q631-S739 VanDerWaalsContact CG-OG 3.27Å; Q631-S739 WeakPolarHBondContact CG-OG 3.35Å; Q631-S739 PolarHBondContact N-O 3.37Å; Q631-S739 PolarHBondContact NE2-OG 2.95Å; Q631-S739 PolarHBondContact O-N 3.31Å
632	Q	83.5	Confident	83.4	Confident	31 Å²	31	50.9 Å²	50.9	15%	0.145	26%	0.257	C	S	.	.			trans	48.5	42	167.9	-50.5	-159.5	5.3	0	0	115.5	Y198 F672 P737 S738	Y198-Q632 PolarHBondContact OH-NE2 3.31Å; Q632-F672 HydrophobicContact CG-CD2 4.14Å; Q632-F672 HydrophobicContact CG-CE2 3.76Å; Q632-F672 HydrophobicContact CG-CZ 4.33Å; Q632-F672 PolarHBondContact N-O 2.89Å; Q632-P737 HydrophobicContact CB-CG 4.02Å; Q632-P737 VanDerWaalsContact CD-CG 3.48Å; Q632-P737 HydrophobicContact CG-CG 4.11Å; Q632-S738 PolarHBondContact O-OG 3.43Å
633	L	88.1	Confident	82.6	Confident	5 Å²	5	46.2 Å²	46.2	3%	0.026	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-59.3	133	-180	-58.8	176.5	0	0	0	111.2	N166 A630 Q631 P646 G671 P674 V696 I708 L727	N166-L633 PolarHBondContact ND2-O 3.12Å; A630-L633 HydrophobicContact CB-CD1 4.23Å; A630-L633 HydrophobicContact CB-CD2 4.13Å; A630-L633 HydrophobicContact CB-CG 4.28Å; Q631-L633 VanDerWaalsContact C-N 3.32Å; Q631-L633 PolarHBondContact O-N 3.3Å; L633-P646 HydrophobicContact CD1-CB 3.46Å; L633-P646 VanDerWaalsContact CD1-CB 3.46Å; L633-P646 HydrophobicContact CD1-CG 3.94Å; L633-G671 WeakPolarHBondContact CA-O 3.49Å; L633-G671 VanDerWaalsContact CB-O 3.23Å; L633-G671 WeakPolarHBondContact CB-O 3.34Å; L633-G671 PolarHBondContact N-O 2.78Å; L633-P674 HydrophobicContact CD1-CG 4.13Å; L633-V696 HydrophobicContact CD1-CG1 3.79Å; L633-V696 HydrophobicContact CD2-CG1 4.03Å; L633-I708 HydrophobicContact CB-CG2 4.12Å; L633-I708 HydrophobicContact CD1-CD1 4.44Å; L633-I708 HydrophobicContact CD2-CG2 4.38Å; L633-L727 HydrophobicContact CD2-CD1 3.48Å; L633-L727 VanDerWaalsContact CD2-CD1 3.48Å
634	P	82	Confident	81.9	Confident	42 Å²	42	46.4 Å²	46.4	27%	0.273	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-65.8	152.2	-177.9	28.7	-36.9	0	0	0	111.4	V636 I708 I735	P634-V636 PolarHBondContact O-N 3.39Å; P634-I708 VanDerWaalsContact CD-CG2 3.49Å; P634-I708 HydrophobicContact CG-CG2 3.62Å; P634-I735 HydrophobicContact CB-CG2 4.41Å; P634-I735 HydrophobicContact CG-CD1 4.31Å; P634-I735 HydrophobicContact CG-CG2 4.04Å
635	K	79	Confident	81.6	Confident	75 Å²	75	46.7 Å²	46.7	33%	0.326	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-76	124.1	171.2	-68.9	-167.8	173.6	-140.9	0	110.5	K163 M164 N166 S642	K163-K635 WeakPolarHBondContact O-CE 3.48Å; K163-K635 PolarHBondContact O-NZ 2.8Å; M164-K635 WeakPolarHBondContact O-CE 3.43Å; N166-K635 HydrophobicContact CB-CG 4.24Å; K635-S642 PolarHBondContact NZ-O 3.46Å
636	V	72.8	Confident	81.5	Confident	51 Å²	51	46.7 Å²	46.7	31%	0.309	24%	0.242	S	C	.	.			trans	-88.1	-37.3	175.4	-157.6	0	0	0	0	111.3	P634 D698 D706 F707 I708	P634-V636 PolarHBondContact O-N 3.39Å; V636-D698 HydrophobicContact CG2-CB 4.46Å; V636-D706 HydrophobicContact CB-CB 4.13Å; V636-D706 HydrophobicContact CG1-CB 3.88Å; V636-F707 WeakPolarHBondContact CG1-O 3.27Å; V636-I708 HydrophobicContact CG2-CB 4.28Å; V636-I708 HydrophobicContact CG2-CD1 4.41Å; V636-I708 HydrophobicContact CG2-CG1 3.62Å
637	N	63.4	Low	81.4	Confident	54 Å²	54	44.2 Å²	44.2	29%	0.289	23%	0.23	S	C	.	.			trans	-88.5	128.1	178.4	-90.4	-58	0	0	0	112.8	K639 S642 D706	N637-K639 VanDerWaalsContact C-N 3.25Å; N637-K639 PolarHBondContact O-N 3.21Å; N637-S642 PolarHBondContact O-OG 3.07Å; N637-D706 PolarHBondContact ND2-OD2 2.66Å
638	Q	58.2	Low	81.4	Confident	154 Å²	154	44.2 Å²	44.2	72%	0.72	23%	0.23	S	C	*	.			trans	-84.2	3.4	177.3	-60.9	-172.6	17.5	0	0	113.5	K55 E640	K55-Q638 VanDerWaalsContact CE-OE1 3.28Å; Q638-E640 PolarHBondContact O-N 2.65Å
639	K	61.7	Low	81.4	Confident	158 Å²	158	45.4 Å²	45.4	69%	0.687	23%	0.234	S	C	*	.	S	Bend	trans	-68.7	127.6	177.9	-70.1	-179.9	-174.3	165.8	0	109.4	N637 G641 S642	N637-K639 VanDerWaalsContact C-N 3.25Å; N637-K639 PolarHBondContact O-N 3.21Å; K639-G641 PolarHBondContact O-N 2.91Å; K639-S642 PolarHBondContact O-N 2.91Å; K639-S642 VanDerWaalsContact O-N 3.1Å; K639-S642 PolarHBondContact O-OG 3.36Å
640	E	56.7	Low	81.5	Confident	187 Å²	187	45.3 Å²	45.3	87%	0.874	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	119.6	-177.7	-160.7	171.1	-168.2	0	0	110	Q638	Q638-E640 PolarHBondContact O-N 2.65Å
641	G	61	Low	81.6	Confident	48 Å²	48	45.7 Å²	45.7	50%	0.495	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	-3.5	-179	0	0	0	0	0	116.4	K639	K639-G641 PolarHBondContact O-N 2.91Å
642	S	74	Confident	82.1	Confident	35 Å²	35	44.5 Å²	44.5	25%	0.245	23%	0.23	C	C	.	.			trans	-67.5	139.5	170.3	58.1	0	0	0	0	111.1	K635 N637 K639	K635-S642 PolarHBondContact NZ-O 3.46Å; N637-S642 PolarHBondContact O-OG 3.07Å; K639-S642 PolarHBondContact O-N 2.91Å; K639-S642 VanDerWaalsContact O-N 3.1Å; K639-S642 PolarHBondContact O-OG 3.36Å
643	I	80.5	Confident	82.8	Confident	16 Å²	16	44.4 Å²	44.4	8%	0.082	23%	0.229	C	C	.	.			trans	-126.3	138.9	175.3	-58.2	172.8	0	0	0	105.3	N166 E168 N669	N166-I643 WeakPolarHBondContact O-CG2 3.48Å; N166-I643 WeakPolarHBondContact OD1-CA 3.39Å; N166-I643 WeakPolarHBondContact OD1-CG2 3.37Å; E168-I643 HydrophobicContact CB-CD1 3.51Å; E168-I643 HydrophobicContact CG-CD1 4.08Å; I643-N669 HydrophobicContact CB-CB 4.11Å; I643-N669 HydrophobicContact CG2-CB 4.03Å; I643-N669 WeakPolarHBondContact CG2-O 3.41Å
644	V	85.6	Confident	83.3	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.018	23%	0.227	C	C	.	.			trans	-73.1	147	-177	-54.1	0	0	0	0	110.4	N166 P646 N670 D698 I708	N166-V644 WeakPolarHBondContact ND2-CG2 3.39Å; N166-V644 PolarHBondContact OD1-N 2.66Å; N166-V644 VanDerWaalsContact OD1-N 3.09Å; V644-P646 WeakPolarHBondContact O-CD 3.39Å; V644-N670 PolarHBondContact O-N 3.25Å; V644-D698 VanDerWaalsContact CA-OD1 3.29Å; V644-D698 WeakPolarHBondContact CA-OD1 3.24Å; V644-D698 HydrophobicContact CB-CB 4.16Å; V644-D698 HydrophobicContact CG1-CB 4.34Å; V644-I708 HydrophobicContact CB-CD1 4.16Å; V644-I708 HydrophobicContact CG1-CD1 4.37Å; V644-I708 HydrophobicContact CG2-CD1 4.16Å
645	D	91.8	Very high	84	Confident	27 Å²	27	42.2 Å²	42.2	14%	0.144	22%	0.215	C	C	.	.			trans	-105.9	75.5	175	-68.4	-29.9	0	0	0	109	I667 N668 N669 D698 H699	D645-I667 CarbonylContact C-O 3.42Å; D645-I667 WeakPolarHBondContact CA-O 3.3Å; D645-N668 WeakPolarHBondContact OD1-CA 3.41Å; D645-N669 PolarHBondContact OD1-N 3.47Å; D645-N669 PolarHBondContact OD1-OD1 3.48Å; D645-D698 PolarHBondContact N-OD1 3.24Å; D645-H699 HydrophobicContact CB-CB 4Å; D645-H699 VanDerWaalsContact O-CB 3.29Å; D645-H699 WeakPolarHBondContact O-CB 3.43Å; D645-H699 PolarHBondContact O-N 3.17Å
646	P	94.9	Very high	84.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	144.6	-163.6	30.9	-36.3	0	0	0	112.4	L633 V644 H666 I667 N670 P674 W676 V696 E697 I708	L633-P646 HydrophobicContact CD1-CB 3.46Å; L633-P646 VanDerWaalsContact CD1-CB 3.46Å; L633-P646 HydrophobicContact CD1-CG 3.94Å; V644-P646 WeakPolarHBondContact O-CD 3.39Å; P646-H666 CarbonylContact O-C 3.48Å; P646-H666 VanDerWaalsContact O-CA 3.3Å; P646-H666 WeakPolarHBondContact O-CA 3.14Å; P646-I667 VanDerWaalsContact CD-O 3.22Å; P646-I667 WeakPolarHBondContact CD-O 3.29Å; P646-I667 HydrophobicContact CG-CB 4.42Å; P646-I667 PolarHBondContact O-N 3.03Å; P646-N670 WeakPolarHBondContact CD-O 3.42Å; P646-N670 WeakPolarHBondContact CG-O 3.47Å; P646-P674 HydrophobicContact CG-CB 3.78Å; P646-P674 HydrophobicContact CG-CG 3.77Å; P646-W676 HydrophobicContact CB-CH2 4.27Å; P646-W676 HydrophobicContact CB-CZ2 3.92Å; P646-W676 HydrophobicContact CG-CH2 4.31Å; P646-W676 HydrophobicContact CG-CZ2 3.95Å; P646-W676 WeakPolarHBondContact O-CZ2 2.96Å; P646-V696 HydrophobicContact CB-CG1 4.47Å; P646-E697 VanDerWaalsContact CA-O 3.31Å; P646-E697 WeakPolarHBondContact CA-O 3.49Å; P646-I708 HydrophobicContact CB-CD1 4.46Å
647	L	97.3	Very high	86	Confident	5 Å²	5	42.7 Å²	42.7	3%	0.026	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	157.2	161.5	66	83.6	0	0	0	110.2	R649 E663 H666 V696 E697 H699	L647-R649 HydrophobicContact CD1-CB 4.32Å; L647-E663 HydrophobicContact CD1-CB 4.48Å; L647-H666 HydrophobicContact CB-CB 4.21Å; L647-V696 WeakPolarHBondContact O-CA 3.37Å; L647-E697 HydrophobicContact CD1-CB 4.26Å; L647-E697 HydrophobicContact CG-CB 4.44Å; L647-E697 PolarHBondContact N-O 3.16Å; L647-E697 PolarHBondContact O-N 2.83Å; L647-E697 VanDerWaalsContact O-N 3.11Å; L647-H699 HydrophobicContact CD2-CB 4.26Å
648	V	98.6	Very high	87.6	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.7	174.5	-176.5	0	0	0	0	109.1	V627 E663 T664 W676 V695 V696 V740	V627-V648 HydrophobicContact CG1-CB 3.9Å; V627-V648 HydrophobicContact CG1-CG1 4.18Å; V627-V648 HydrophobicContact CG1-CG2 3.78Å; V627-V648 HydrophobicContact CG2-CB 4.48Å; V627-V648 HydrophobicContact CG2-CG1 4.21Å; V648-E663 CarbonylContact O-C 3.56Å; V648-E663 VanDerWaalsContact O-CA 3.29Å; V648-E663 WeakPolarHBondContact O-CA 3.47Å; V648-T664 HydrophobicContact CB-CG2 4.16Å; V648-T664 PolarHBondContact N-OG1 3.2Å; V648-T664 PolarHBondContact O-N 3.05Å; V648-T664 PolarHBondContact O-OG1 3.27Å; V648-W676 HydrophobicContact CG2-CE3 4.36Å; V648-W676 HydrophobicContact CG2-CH2 3.76Å; V648-W676 HydrophobicContact CG2-CZ2 4.01Å; V648-W676 HydrophobicContact CG2-CZ3 3.94Å; V648-V695 WeakPolarHBondContact CA-O 3.48Å; V648-V696 HydrophobicContact CG2-CG2 4.36Å; V648-V740 HydrophobicContact CG2-CG1 4.24Å; V648-V740 HydrophobicContact CG2-CG2 4.43Å
649	R	98.6	Very high	89.4	Confident	33 Å²	33	36.9 Å²	36.9	13%	0.125	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.5	174.1	-178.8	172.9	63.3	177.6	-0.7	109.9	L647 E651 E662 E663 V695 E697	L647-R649 HydrophobicContact CD1-CB 4.32Å; R649-E651 HydrophobicContact CG-CG 4.04Å; R649-E651 IonicContact CZ-OE1 3.99Å; R649-E651 IonicContact NE-OE1 3.62Å; R649-E651 PolarHBondContact NE-OE1 2.82Å; R649-E651 IonicContact NH1-OE1 3.05Å; R649-E651 IonicContact NH2-OE1 3.86Å; R649-E651 PolarHBondContact NH2-OE1 3.01Å; R649-E662 WeakPolarHBondContact CA-O 3.21Å; R649-E663 HydrophobicContact CB-CB 3.99Å; R649-E663 HydrophobicContact CG-CB 4.15Å; R649-V695 HydrophobicContact CB-CB 4.42Å; R649-V695 PolarHBondContact N-O 2.99Å; R649-V695 PolarHBondContact O-N 3Å; R649-E697 IonicContact CZ-OE1 3.66Å; R649-E697 IonicContact NH2-OE1 2.98Å; R649-E697 PolarHBondContact NH2-OE1 2.95Å; R649-E697 IonicContact NH2-OE2 2.71Å
650	V	98.8	Very high	91.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.4	175	-177.9	0	0	0	0	108.6	I625 R661 E662 L680 F682 V692 R693 F694	I625-V650 HydrophobicContact CD1-CG1 3.77Å; V650-R661 WeakPolarHBondContact O-CA 3.38Å; V650-E662 PolarHBondContact N-O 3.34Å; V650-E662 PolarHBondContact O-N 3Å; V650-L680 HydrophobicContact CB-CD1 4.08Å; V650-L680 HydrophobicContact CG2-CD1 3.75Å; V650-F682 HydrophobicContact CB-CE2 3.97Å; V650-F682 HydrophobicContact CB-CZ 3.76Å; V650-F682 HydrophobicContact CG1-CE2 3.69Å; V650-F682 HydrophobicContact CG1-CZ 3.8Å; V650-V692 HydrophobicContact CG1-CG1 3.85Å; V650-R693 WeakPolarHBondContact CA-O 3.48Å; V650-F694 HydrophobicContact CG1-CD1 4.47Å; V650-F694 HydrophobicContact CG1-CE1 4.22Å; V650-F694 HydrophobicContact CG2-CD1 3.67Å; V650-F694 HydrophobicContact CG2-CE1 3.82Å
651	E	98.7	Very high	93.1	Very high	8 Å²	8	30.7 Å²	30.7	4%	0.037	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	134.4	-176.2	-54.5	177.9	152.4	0	0	109.5	R649 Y653 R661 R693	R649-E651 HydrophobicContact CG-CG 4.04Å; R649-E651 IonicContact CZ-OE1 3.99Å; R649-E651 IonicContact NE-OE1 3.62Å; R649-E651 PolarHBondContact NE-OE1 2.82Å; R649-E651 IonicContact NH1-OE1 3.05Å; R649-E651 IonicContact NH2-OE1 3.86Å; R649-E651 PolarHBondContact NH2-OE1 3.01Å; E651-Y653 HydrophobicContact CB-CD2 4.23Å; E651-Y653 HydrophobicContact CB-CE2 3.47Å; E651-Y653 VanDerWaalsContact CB-CE2 3.47Å; E651-Y653 HydrophobicContact CG-CE2 4.44Å; E651-Y653 WeakPolarHBondContact OE2-CE2 3.22Å; E651-Y653 PolarHBondContact OE2-OH 3.02Å; E651-R661 HydrophobicContact CB-CB 4.32Å; E651-R661 HydrophobicContact CG-CB 3.91Å; E651-R693 HydrophobicContact CB-CB 4.33Å; E651-R693 PolarHBondContact N-O 2.85Å; E651-R693 PolarHBondContact O-N 3.47Å; E651-R693 IonicContact OE1-NH1 3.76Å; E651-R693 IonicContact OE2-CZ 3.37Å; E651-R693 IonicContact OE2-NH1 3.52Å; E651-R693 PolarHBondContact OE2-NH1 3.46Å
652	I	98.7	Very high	94.9	Very high	2 Å²	2	32 Å²	32	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	126.5	175.9	-49.8	-60.8	0	0	0	108.6	L623 D658 Q659 T660 F682 V684 A690 V692	L623-I652 HydrophobicContact CD2-CD1 3.99Å; I652-D658 WeakPolarHBondContact CB-O 3.16Å; I652-D658 HydrophobicContact CG2-CB 4.13Å; I652-D658 VanDerWaalsContact CG2-O 3.32Å; I652-D658 WeakPolarHBondContact CG2-O 3.46Å; I652-Q659 WeakPolarHBondContact O-CA 3.27Å; I652-T660 HydrophobicContact CB-CG2 4.16Å; I652-T660 HydrophobicContact CG1-CG2 4.06Å; I652-T660 PolarHBondContact N-O 3.01Å; I652-T660 PolarHBondContact O-N 3.29Å; I652-F682 HydrophobicContact CD1-CB 4.38Å; I652-F682 HydrophobicContact CD1-CD1 4.32Å; I652-F682 HydrophobicContact CD1-CD2 4.31Å; I652-F682 HydrophobicContact CD1-CG 4.07Å; I652-F682 HydrophobicContact CG1-CB 4.05Å; I652-F682 HydrophobicContact CG1-CD1 3.62Å; I652-F682 HydrophobicContact CG1-CD2 4.46Å; I652-F682 HydrophobicContact CG1-CE1 4.14Å; I652-F682 HydrophobicContact CG1-CG 3.77Å; I652-V684 HydrophobicContact CG2-CG2 4.34Å; I652-A690 HydrophobicContact CG2-CB 4.42Å; I652-V692 HydrophobicContact CD1-CB 4.28Å; I652-V692 HydrophobicContact CD1-CG1 3.94Å; I652-V692 HydrophobicContact CD1-CG2 3.76Å
653	Y	98.7	Very high	96.1	Very high	30 Å²	30	35 Å²	35	12%	0.118	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	107.2	176.3	-66	-92.1	0	0	0	109.2	L576 L580 E651 A690 L691 R693	L576-Y653 HydrophobicContact CD1-CE1 4.09Å; L576-Y653 HydrophobicContact CD1-CE2 3.84Å; L576-Y653 VanDerWaalsContact CD1-CZ 3.47Å; L576-Y653 VanDerWaalsContact CD1-OH 3.24Å; L576-Y653 WeakPolarHBondContact CD1-OH 3.33Å; L576-Y653 HydrophobicContact CD2-CE1 4.02Å; L576-Y653 VanDerWaalsContact CD2-OH 3.3Å; L576-Y653 WeakPolarHBondContact CD2-OH 3.21Å; L580-Y653 HydrophobicContact CD1-CD1 3.93Å; L580-Y653 HydrophobicContact CD1-CE1 4.37Å; L580-Y653 HydrophobicContact CD1-CG 4.06Å; L580-Y653 HydrophobicContact CD2-CD1 4.42Å; L580-Y653 HydrophobicContact CD2-CD2 3.63Å; L580-Y653 HydrophobicContact CD2-CE2 4.12Å; L580-Y653 HydrophobicContact CD2-CG 3.8Å; E651-Y653 HydrophobicContact CB-CD2 4.23Å; E651-Y653 HydrophobicContact CB-CE2 3.47Å; E651-Y653 VanDerWaalsContact CB-CE2 3.47Å; E651-Y653 HydrophobicContact CG-CE2 4.44Å; E651-Y653 WeakPolarHBondContact OE2-CE2 3.22Å; E651-Y653 PolarHBondContact OE2-OH 3.02Å; Y653-A690 CarbonylContact O-C 3.52Å; Y653-A690 WeakPolarHBondContact O-CA 3.4Å; Y653-L691 PolarHBondContact N-O 2.94Å; Y653-L691 PolarHBondContact O-N 2.83Å; Y653-R693 HydrophobicContact CD2-CB 4.3Å; Y653-R693 HydrophobicContact CE2-CB 4.04Å
654	G	97.8	Very high	96.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-147.8	-143.2	178.6	0	0	0	0	0	110.8	Q557 N561	Q557-G654 WeakPolarHBondContact CG-O 3.44Å; N561-G654 PolarHBondContact ND2-O 3.09Å; N561-G654 PolarHBondContact OD1-O 2.77Å
655	V	97.5	Very high	97.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-58.1	160.7	167.3	-65.7	0	0	0	0	110.3	N561 F607 P609 P612 Q657 D658 Q659 H685 L689	N561-V655 PolarHBondContact OD1-N 3.38Å; F607-V655 HydrophobicContact CE2-CG1 4.44Å; F607-V655 HydrophobicContact CZ-CG1 3.85Å; P609-V655 HydrophobicContact CB-CG1 4.45Å; P609-V655 WeakPolarHBondContact O-CB 3.38Å; P612-V655 HydrophobicContact CB-CG2 4.47Å; P612-V655 HydrophobicContact CG-CG2 4.16Å; V655-Q657 PolarHBondContact O-N 3.33Å; V655-D658 HydrophobicContact CG2-CB 4.25Å; V655-D658 WeakPolarHBondContact CG2-OD2 3.3Å; V655-D658 WeakPolarHBondContact O-CA 3.37Å; V655-D658 WeakPolarHBondContact O-CB 3.44Å; V655-D658 PolarHBondContact O-N 3.19Å; V655-Q659 PolarHBondContact O-N 2.86Å; V655-H685 HydrophobicContact CG2-CB 4.39Å; V655-L689 HydrophobicContact CG1-CD1 4.1Å
656	P	97	Very high	97.6	Very high	64 Å²	64	38.6 Å²	38.6	42%	0.416	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-50.3	-35.4	-177.6	-32.2	38	0	0	0	115.2	P609 D658 Q659	P609-P656 WeakPolarHBondContact O-CD 3.5Å; P656-D658 VanDerWaalsContact C-N 3.29Å; P656-D658 PolarHBondContact O-N 3.3Å; P656-Q659 PolarHBondContact O-N 2.91Å
657	Q	96.8	Very high	97.6	Very high	73 Å²	73	40.5 Å²	40.5	34%	0.341	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-69.3	-23.1	176.8	-61.9	-176.6	16.1	0	0	113.7	D610 E613 V655 H685	D610-Q657 PolarHBondContact O-NE2 2.84Å; E613-Q657 PolarHBondContact OE2-NE2 3.3Å; E613-Q657 VanDerWaalsContact OE2-NE2 3.09Å; V655-Q657 PolarHBondContact O-N 3.33Å; Q657-H685 PolarHBondContact OE1-CE1 3.23Å; Q657-H685 PolarHBondContact OE1-ND1 3.14Å
658	D	97.7	Very high	97.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-84.9	-15.4	178.9	-65.5	-14.4	0	0	0	112.6	I652 V655 P656 T660 H685 S686	I652-D658 WeakPolarHBondContact CB-O 3.16Å; I652-D658 HydrophobicContact CG2-CB 4.13Å; I652-D658 VanDerWaalsContact CG2-O 3.32Å; I652-D658 WeakPolarHBondContact CG2-O 3.46Å; V655-D658 HydrophobicContact CG2-CB 4.25Å; V655-D658 WeakPolarHBondContact CG2-OD2 3.3Å; V655-D658 WeakPolarHBondContact O-CA 3.37Å; V655-D658 WeakPolarHBondContact O-CB 3.44Å; V655-D658 PolarHBondContact O-N 3.19Å; P656-D658 VanDerWaalsContact C-N 3.29Å; P656-D658 PolarHBondContact O-N 3.3Å; D658-T660 PolarHBondContact O-N 3.11Å; D658-H685 WeakPolarHBondContact OD1-CA 3.14Å; D658-H685 WeakPolarHBondContact OD1-CB 3.48Å; D658-H685 IonicContact OD1-CD2 2.75Å; D658-H685 PolarHBondContact OD1-CD2 3.33Å; D658-H685 IonicContact OD1-CG 3.99Å; D658-H685 PolarHBondContact OD1-N 3.02Å; D658-S686 PolarHBondContact OD2-N 2.84Å
659	Q	96.3	Very high	96.6	Very high	86 Å²	86	47.3 Å²	47.3	40%	0.402	23%	0.234	S	C	.	.			trans	-72.6	95.4	-172.7	-66.4	-168.7	21.3	0	0	111.4	D558 I652 V655 P656	D558-Q659 PolarHBondContact OD1-NE2 3.35Å; I652-Q659 WeakPolarHBondContact O-CA 3.27Å; V655-Q659 PolarHBondContact O-N 2.86Å; P656-Q659 PolarHBondContact O-N 2.91Å
660	T	97.5	Very high	95.9	Very high	61 Å²	61	47.8 Å²	47.8	37%	0.374	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	164.1	-178.6	-174.1	0	0	0	0	111.4	I652 D658 F682	I652-T660 HydrophobicContact CB-CG2 4.16Å; I652-T660 HydrophobicContact CG1-CG2 4.06Å; I652-T660 PolarHBondContact N-O 3.01Å; I652-T660 PolarHBondContact O-N 3.29Å; D658-T660 PolarHBondContact O-N 3.11Å; T660-F682 HydrophobicContact CG2-CD1 3.58Å; T660-F682 HydrophobicContact CG2-CE1 4.2Å
661	R	97.8	Very high	95.1	Very high	153 Å²	153	47.8 Å²	47.8	58%	0.577	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-147.9	144.9	174.6	70.4	-171.7	-170.4	-178.8	-0.6	111.1	V650 E651	V650-R661 WeakPolarHBondContact O-CA 3.38Å; E651-R661 HydrophobicContact CB-CB 4.32Å; E651-R661 HydrophobicContact CG-CB 3.91Å
662	E	98.5	Very high	94.4	Very high	75 Å²	75	47.7 Å²	47.7	35%	0.35	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	156.9	168.4	-61.6	-168.7	161.1	0	0	109.1	R649 V650 L680 N681 F682	R649-E662 WeakPolarHBondContact CA-O 3.21Å; V650-E662 PolarHBondContact N-O 3.34Å; V650-E662 PolarHBondContact O-N 3Å; E662-L680 HydrophobicContact CB-CB 4.19Å; E662-L680 HydrophobicContact CB-CD1 4.25Å; E662-L680 HydrophobicContact CB-CD2 3.98Å; E662-L680 HydrophobicContact CB-CG 4.36Å; E662-L680 VanDerWaalsContact OE2-CA 3.24Å; E662-L680 WeakPolarHBondContact OE2-CA 3.13Å; E662-N681 PolarHBondContact OE2-N 2.87Å; E662-F682 HydrophobicContact CB-CE1 3.96Å; E662-F682 HydrophobicContact CB-CZ 3.76Å; E662-F682 HydrophobicContact CG-CE1 3.74Å; E662-F682 HydrophobicContact CG-CZ 4Å
663	E	98.1	Very high	93.9	Very high	99 Å²	99	49 Å²	49	46%	0.463	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	151	-179.2	63.4	-169	-153.2	0	0	110.7	L647 V648 R649	L647-E663 HydrophobicContact CD1-CB 4.48Å; V648-E663 CarbonylContact O-C 3.56Å; V648-E663 VanDerWaalsContact O-CA 3.29Å; V648-E663 WeakPolarHBondContact O-CA 3.47Å; R649-E663 HydrophobicContact CB-CB 3.99Å; R649-E663 HydrophobicContact CG-CB 4.15Å
664	T	98.6	Very high	93.6	Very high	6 Å²	6	47.6 Å²	47.6	4%	0.037	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-74.2	168.1	171.9	65.9	0	0	0	0	110.9	V627 V648 W676 E678	V627-T664 HydrophobicContact CB-CG2 3.74Å; V627-T664 HydrophobicContact CG1-CG2 3.92Å; V627-T664 HydrophobicContact CG2-CG2 3.92Å; V648-T664 HydrophobicContact CB-CG2 4.16Å; V648-T664 PolarHBondContact N-OG1 3.2Å; V648-T664 PolarHBondContact O-N 3.05Å; V648-T664 PolarHBondContact O-OG1 3.27Å; T664-W676 HydrophobicContact CG2-CB 4.42Å; T664-W676 HydrophobicContact CG2-CG 4.26Å; T664-W676 PolarHBondContact OG1-NE1 2.86Å; T664-E678 WeakPolarHBondContact CA-OE2 3.3Å; T664-E678 HydrophobicContact CG2-CB 4.16Å
665	S	97.1	Very high	93.5	Very high	61 Å²	61	50.5 Å²	50.5	43%	0.427	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-60.4	161	159.2	71.2	0	0	0	0	111.6	W676 E678	S665-W676 PolarHBondContact O-NE1 3.43Å; S665-E678 VanDerWaalsContact CB-OE1 3.28Å; S665-E678 WeakPolarHBondContact CB-OE1 3.48Å; S665-E678 PolarHBondContact N-OE1 3.11Å; S665-E678 PolarHBondContact N-OE2 3.36Å; S665-E678 PolarHBondContact OG-OE1 2.95Å
666	H	95.7	Very high	93.5	Very high	54 Å²	54	51.5 Å²	51.5	25%	0.25	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-86.8	143.7	171.3	66.8	-87.7	0	0	0	110.5	P646 L647 N668 H699	P646-H666 CarbonylContact O-C 3.48Å; P646-H666 VanDerWaalsContact O-CA 3.3Å; P646-H666 WeakPolarHBondContact O-CA 3.14Å; L647-H666 HydrophobicContact CB-CB 4.21Å; H666-N668 PolarHBondContact NE2-OD1 3.16Å; H666-H699 HydrophobicContact CB-CB 3.8Å; H666-H699 AromaticContact CD2-CD2 3.9Å; H666-H699 AromaticContact CE1-CD2 3.62Å; H666-H699 AromaticContact CE1-NE2 3.84Å; H666-H699 AromaticContact CG-CD2 3.69Å; H666-H699 AromaticContact CG-CG 3.92Å; H666-H699 AromaticContact ND1-CD2 3.5Å; H666-H699 PolarHBondContact ND1-CD2 3.44Å; H666-H699 AromaticContact ND1-CG 3.92Å; H666-H699 AromaticContact ND1-NE2 3.87Å; H666-H699 AromaticContact NE2-CD2 3.88Å
667	I	93.8	Very high	93.5	Very high	40 Å²	40	52.6 Å²	52.6	21%	0.205	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-92.8	129.1	168.5	-57.2	-53.3	0	0	0	108.2	D645 P646 N670 P674 V675 W676	D645-I667 CarbonylContact C-O 3.42Å; D645-I667 WeakPolarHBondContact CA-O 3.3Å; P646-I667 VanDerWaalsContact CD-O 3.22Å; P646-I667 WeakPolarHBondContact CD-O 3.29Å; P646-I667 HydrophobicContact CG-CB 4.42Å; P646-I667 PolarHBondContact O-N 3.03Å; I667-N670 HydrophobicContact CG2-CB 3.85Å; I667-P674 HydrophobicContact CB-CB 4.07Å; I667-P674 HydrophobicContact CG1-CB 3.91Å; I667-P674 HydrophobicContact CG2-CB 4.27Å; I667-V675 WeakPolarHBondContact CD1-O 3.47Å; I667-W676 HydrophobicContact CD1-CG 4.4Å; I667-W676 HydrophobicContact CG1-CD2 4.27Å; I667-W676 HydrophobicContact CG1-CG 4.33Å; I667-W676 HydrophobicContact CG1-CZ2 4.26Å
668	N	89.9	Confident	93.6	Very high	93 Å²	93	51.7 Å²	51.7	50%	0.497	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	131.6	178.7	-65.1	-81.6	0	0	0	110.9	D645 H666 N670	D645-N668 WeakPolarHBondContact OD1-CA 3.41Å; H666-N668 PolarHBondContact NE2-OD1 3.16Å; N668-N670 VanDerWaalsContact C-N 3.31Å; N668-N670 PolarHBondContact O-N 3.47Å
669	N	84.6	Confident	93.6	Very high	55 Å²	55	55 Å²	55	29%	0.294	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	44.3	169.6	-60.9	-47.8	0	0	0	114.5	E168 I643 D645	E168-N669 HydrophobicContact CB-CB 3.75Å; E168-N669 VanDerWaalsContact CB-O 3.28Å; E168-N669 WeakPolarHBondContact CB-O 3.32Å; E168-N669 HydrophobicContact CG-CB 4.45Å; E168-N669 PolarHBondContact N-O 3.31Å; E168-N669 WeakPolarHBondContact OE2-CB 3.32Å; E168-N669 PolarHBondContact OE2-ND2 3.18Å; I643-N669 HydrophobicContact CB-CB 4.11Å; I643-N669 HydrophobicContact CG2-CB 4.03Å; I643-N669 WeakPolarHBondContact CG2-O 3.41Å; D645-N669 PolarHBondContact OD1-N 3.47Å; D645-N669 PolarHBondContact OD1-OD1 3.48Å
670	N	84.8	Confident	93.7	Very high	43 Å²	43	51.3 Å²	51.3	23%	0.23	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-145.5	86.1	175.6	-177.6	9.2	0	0	0	110.7	V644 P646 I667 N668 F672 N673 P674	V644-N670 PolarHBondContact O-N 3.25Å; P646-N670 WeakPolarHBondContact CD-O 3.42Å; P646-N670 WeakPolarHBondContact CG-O 3.47Å; I667-N670 HydrophobicContact CG2-CB 3.85Å; N668-N670 VanDerWaalsContact C-N 3.31Å; N668-N670 PolarHBondContact O-N 3.47Å; N670-F672 PolarHBondContact OD1-N 3.32Å; N670-N673 PolarHBondContact ND2-O 2.92Å; N670-N673 PolarHBondContact OD1-N 3.49Å; N670-P674 WeakPolarHBondContact O-CB 3.34Å; N670-P674 WeakPolarHBondContact O-CD 3.35Å
671	G	82.4	Confident	93.7	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.259	C	S	.	.	S	Bend	trans	-87.9	-8.2	169	0	0	0	0	0	114	N166 L633	N166-G671 PolarHBondContact O-N 3.07Å; L633-G671 WeakPolarHBondContact CA-O 3.49Å; L633-G671 VanDerWaalsContact CB-O 3.23Å; L633-G671 WeakPolarHBondContact CB-O 3.34Å; L633-G671 PolarHBondContact N-O 2.78Å
672	F	83.1	Confident	93.8	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.026	23%	0.233	C	C	.	.	S	Bend	trans	-82	-50.1	-173.8	-170	-108.5	0	0	0	112.5	M165 N166 V167 Y198 L201 T202 Q631 Q632 N670	M165-F672 HydrophobicContact CB-CD2 4.07Å; M165-F672 HydrophobicContact CB-CE2 4.2Å; M165-F672 HydrophobicContact CE-CD2 4.09Å; M165-F672 HydrophobicContact CE-CE1 4.19Å; M165-F672 HydrophobicContact CE-CE2 3.18Å; M165-F672 HydrophobicContact CE-CZ 3.24Å; M165-F672 WeakPolarHBondContact O-CD2 3.49Å; N166-F672 PolarHBondContact O-N 3.43Å; V167-F672 HydrophobicContact CB-CB 4.34Å; V167-F672 HydrophobicContact CG2-CB 3.26Å; V167-F672 HydrophobicContact CG2-CD1 3.61Å; V167-F672 HydrophobicContact CG2-CD2 4.05Å; V167-F672 HydrophobicContact CG2-CE1 4.46Å; V167-F672 HydrophobicContact CG2-CG 3.35Å; Y198-F672 HydrophobicContact CE2-CZ 4.37Å; L201-F672 HydrophobicContact CD2-CE1 3.97Å; L201-F672 HydrophobicContact CD2-CZ 4.29Å; L201-F672 HydrophobicContact CG-CD1 4.32Å; L201-F672 HydrophobicContact CG-CE1 3.77Å; L201-F672 HydrophobicContact CG-CZ 4.5Å; T202-F672 HydrophobicContact CG2-CE1 3.77Å; T202-F672 HydrophobicContact CG2-CZ 3.62Å; Q631-F672 CarbonylContact C-O 3.52Å; Q631-F672 WeakPolarHBondContact CA-O 3.06Å; Q632-F672 HydrophobicContact CG-CD2 4.14Å; Q632-F672 HydrophobicContact CG-CE2 3.76Å; Q632-F672 HydrophobicContact CG-CZ 4.33Å; Q632-F672 PolarHBondContact N-O 2.89Å; N670-F672 PolarHBondContact OD1-N 3.32Å
673	N	87.8	Confident	93.7	Very high	31 Å²	31	43.5 Å²	43.5	17%	0.166	24%	0.235	C	C	.	.	S	Bend	trans	-147.1	64.9	176.5	-72.6	-38.8	0	0	0	110.1	L201 A630 N670	L201-N673 PolarHBondContact O-ND2 3.23Å; A630-N673 WeakPolarHBondContact O-CA 3.28Å; N670-N673 PolarHBondContact ND2-O 2.92Å; N670-N673 PolarHBondContact OD1-N 3.49Å
674	P	92.8	Very high	93.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.213	C	C	.	.			trans	-66.5	145.4	175.1	28.5	-36.7	0	0	0	111.5	S629 A630 L633 P646 I667 N670 W676	S629-P674 CarbonylContact C-O 3.47Å; S629-P674 WeakPolarHBondContact CA-O 3.32Å; S629-P674 WeakPolarHBondContact CB-O 3.27Å; A630-P674 HydrophobicContact CB-CG 3.9Å; A630-P674 PolarHBondContact N-O 3.25Å; A630-P674 WeakPolarHBondContact O-CD 3.49Å; L633-P674 HydrophobicContact CD1-CG 4.13Å; P646-P674 HydrophobicContact CG-CB 3.78Å; P646-P674 HydrophobicContact CG-CG 3.77Å; I667-P674 HydrophobicContact CB-CB 4.07Å; I667-P674 HydrophobicContact CG1-CB 3.91Å; I667-P674 HydrophobicContact CG2-CB 4.27Å; N670-P674 WeakPolarHBondContact O-CB 3.34Å; N670-P674 WeakPolarHBondContact O-CD 3.35Å; P674-W676 HydrophobicContact CB-CE3 4.49Å; P674-W676 HydrophobicContact CB-CH2 3.61Å; P674-W676 HydrophobicContact CB-CZ2 3.86Å; P674-W676 HydrophobicContact CB-CZ3 3.96Å; P674-W676 HydrophobicContact CG-CH2 3.33Å; P674-W676 HydrophobicContact CG-CZ2 4.03Å; P674-W676 HydrophobicContact CG-CZ3 3.73Å
675	V	95.8	Very high	93.7	Very high	61 Å²	61	40.3 Å²	40.3	37%	0.37	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	123	178	-177.4	0	0	0	0	108.6	I628 I667 N677	I628-V675 CarbonylContact O-C 3.45Å; I628-V675 WeakPolarHBondContact O-CA 3.2Å; I628-V675 WeakPolarHBondContact O-CG1 3.47Å; I667-V675 WeakPolarHBondContact CD1-O 3.47Å; V675-N677 WeakPolarHBondContact CG1-ND2 3.45Å
676	W	97.4	Very high	93.7	Very high	20 Å²	20	37.4 Å²	37.4	8%	0.076	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-50	-179.2	-64.9	-90.3	0	0	0	112.3	V627 I628 A630 P646 V648 T664 S665 I667 P674 E678	V627-W676 HydrophobicContact CG1-CD2 4.34Å; V627-W676 HydrophobicContact CG1-CE3 3.92Å; V627-W676 HydrophobicContact CG1-CZ3 4.48Å; I628-W676 PolarHBondContact O-N 2.88Å; A630-W676 HydrophobicContact CB-CH2 3.85Å; A630-W676 HydrophobicContact CB-CZ3 3.65Å; P646-W676 HydrophobicContact CB-CH2 4.27Å; P646-W676 HydrophobicContact CB-CZ2 3.92Å; P646-W676 HydrophobicContact CG-CH2 4.31Å; P646-W676 HydrophobicContact CG-CZ2 3.95Å; P646-W676 WeakPolarHBondContact O-CZ2 2.96Å; V648-W676 HydrophobicContact CG2-CE3 4.36Å; V648-W676 HydrophobicContact CG2-CH2 3.76Å; V648-W676 HydrophobicContact CG2-CZ2 4.01Å; V648-W676 HydrophobicContact CG2-CZ3 3.94Å; T664-W676 HydrophobicContact CG2-CB 4.42Å; T664-W676 HydrophobicContact CG2-CG 4.26Å; T664-W676 PolarHBondContact OG1-NE1 2.86Å; S665-W676 PolarHBondContact O-NE1 3.43Å; I667-W676 HydrophobicContact CD1-CG 4.4Å; I667-W676 HydrophobicContact CG1-CD2 4.27Å; I667-W676 HydrophobicContact CG1-CG 4.33Å; I667-W676 HydrophobicContact CG1-CZ2 4.26Å; P674-W676 HydrophobicContact CB-CE3 4.49Å; P674-W676 HydrophobicContact CB-CH2 3.61Å; P674-W676 HydrophobicContact CB-CZ2 3.86Å; P674-W676 HydrophobicContact CB-CZ3 3.96Å; P674-W676 HydrophobicContact CG-CH2 3.33Å; P674-W676 HydrophobicContact CG-CZ2 4.03Å; P674-W676 HydrophobicContact CG-CZ3 3.73Å; W676-E678 VanDerWaalsContact C-N 3.27Å; W676-E678 HydrophobicContact CB-CB 4.44Å; W676-E678 HydrophobicContact CB-CG 4.26Å; W676-E678 PolarHBondContact O-N 2.78Å
677	N	97	Very high	93.7	Very high	87 Å²	87	35.5 Å²	35.5	47%	0.465	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	53.5	40.2	-169.8	-63.6	-57.6	0	0	0	113.8	V627 I628 V675	V627-N677 VanDerWaalsContact O-CA 3.3Å; V627-N677 WeakPolarHBondContact O-CA 3.44Å; V627-N677 PolarHBondContact O-N 3.24Å; I628-N677 WeakPolarHBondContact CG2-OD1 3.49Å; I628-N677 PolarHBondContact O-N 3.44Å; V675-N677 WeakPolarHBondContact CG1-ND2 3.45Å
678	E	98.5	Very high	93.9	Very high	55 Å²	55	37.2 Å²	37.2	26%	0.257	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	141.6	-179.3	-69.8	-179	-129.2	0	0	110.9	Q626 V627 T664 S665 W676	Q626-E678 CarbonylContact C-O 3.48Å; Q626-E678 WeakPolarHBondContact CA-O 3.45Å; V627-E678 PolarHBondContact N-O 3.18Å; V627-E678 PolarHBondContact O-N 3Å; T664-E678 WeakPolarHBondContact CA-OE2 3.3Å; T664-E678 HydrophobicContact CG2-CB 4.16Å; S665-E678 VanDerWaalsContact CB-OE1 3.28Å; S665-E678 WeakPolarHBondContact CB-OE1 3.48Å; S665-E678 PolarHBondContact N-OE1 3.11Å; S665-E678 PolarHBondContact N-OE2 3.36Å; S665-E678 PolarHBondContact OG-OE1 2.95Å; W676-E678 VanDerWaalsContact C-N 3.27Å; W676-E678 HydrophobicContact CB-CB 4.44Å; W676-E678 HydrophobicContact CB-CG 4.26Å; W676-E678 PolarHBondContact O-N 2.78Å
679	T	98.6	Very high	94.3	Very high	70 Å²	70	32.8 Å²	32.8	43%	0.429	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.7	-179.6	-54.2	0	0	0	0	111.1	S624 I625	S624-T679 WeakPolarHBondContact OG-CG2 3.44Å; I625-T679 WeakPolarHBondContact O-CA 3.26Å
680	L	98.6	Very high	94.9	Very high	8 Å²	8	30.2 Å²	30.2	4%	0.042	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	138.6	177.1	-50.7	-176.8	0	0	0	109.6	S624 I625 V627 V650 E662 F682	S624-L680 WeakPolarHBondContact CA-O 3.15Å; I625-L680 PolarHBondContact N-O 2.62Å; I625-L680 PolarHBondContact O-N 3.09Å; V627-L680 HydrophobicContact CG2-CD1 4.15Å; V627-L680 HydrophobicContact CG2-CG 4.49Å; V650-L680 HydrophobicContact CB-CD1 4.08Å; V650-L680 HydrophobicContact CG2-CD1 3.75Å; E662-L680 HydrophobicContact CB-CB 4.19Å; E662-L680 HydrophobicContact CB-CD1 4.25Å; E662-L680 HydrophobicContact CB-CD2 3.98Å; E662-L680 HydrophobicContact CB-CG 4.36Å; E662-L680 VanDerWaalsContact OE2-CA 3.24Å; E662-L680 WeakPolarHBondContact OE2-CA 3.13Å; L680-F682 HydrophobicContact CB-CE2 3.76Å; L680-F682 HydrophobicContact CB-CZ 4.06Å
681	N	98.1	Very high	95.6	Very high	53 Å²	53	28.1 Å²	28.1	28%	0.283	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	131.6	-173.5	-70.9	-90.7	0	0	0	112.2	R622 L623 S624 E662	R622-N681 PolarHBondContact NE-OD1 3.32Å; R622-N681 PolarHBondContact NH2-OD1 3.47Å; L623-N681 WeakPolarHBondContact O-CA 3.4Å; S624-N681 PolarHBondContact OG-OD1 3.09Å; E662-N681 PolarHBondContact OE2-N 2.87Å
682	F	98.3	Very high	96.4	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	142.5	-177.2	-54.5	-81.2	0	0	0	110.9	R622 L623 I625 V650 I652 T660 E662 L680	R622-F682 CarbonylContact C-O 3.54Å; R622-F682 WeakPolarHBondContact CA-O 3.41Å; L623-F682 HydrophobicContact CB-CB 4.3Å; L623-F682 HydrophobicContact CD2-CD2 4.41Å; L623-F682 HydrophobicContact CG-CD2 4.48Å; L623-F682 PolarHBondContact N-O 2.96Å; L623-F682 PolarHBondContact O-N 3.23Å; I625-F682 HydrophobicContact CD1-CE2 4.37Å; V650-F682 HydrophobicContact CB-CE2 3.97Å; V650-F682 HydrophobicContact CB-CZ 3.76Å; V650-F682 HydrophobicContact CG1-CE2 3.69Å; V650-F682 HydrophobicContact CG1-CZ 3.8Å; I652-F682 HydrophobicContact CD1-CB 4.38Å; I652-F682 HydrophobicContact CD1-CD1 4.32Å; I652-F682 HydrophobicContact CD1-CD2 4.31Å; I652-F682 HydrophobicContact CD1-CG 4.07Å; I652-F682 HydrophobicContact CG1-CB 4.05Å; I652-F682 HydrophobicContact CG1-CD1 3.62Å; I652-F682 HydrophobicContact CG1-CD2 4.46Å; I652-F682 HydrophobicContact CG1-CE1 4.14Å; I652-F682 HydrophobicContact CG1-CG 3.77Å; T660-F682 HydrophobicContact CG2-CD1 3.58Å; T660-F682 HydrophobicContact CG2-CE1 4.2Å; E662-F682 HydrophobicContact CB-CE1 3.96Å; E662-F682 HydrophobicContact CB-CZ 3.76Å; E662-F682 HydrophobicContact CG-CE1 3.74Å; E662-F682 HydrophobicContact CG-CZ 4Å; L680-F682 HydrophobicContact CB-CE2 3.76Å; L680-F682 HydrophobicContact CB-CZ 4.06Å
683	V	97.9	Very high	97.1	Very high	67 Å²	67	28.6 Å²	28.6	41%	0.406	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.1	166.7	176.5	0	0	0	0	107.5	L749	V683-L749 HydrophobicContact CB-CD1 4.22Å; V683-L749 HydrophobicContact CG1-CD1 3.52Å; V683-L749 HydrophobicContact CG2-CD1 3.95Å
684	V	98.1	Very high	97.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	108.1	-178	-172.3	0	0	0	0	108.5	P620 A621 L623 I652 P687 A690 F715	P620-V684 CarbonylContact C-O 3.46Å; P620-V684 VanDerWaalsContact CA-O 3.25Å; P620-V684 WeakPolarHBondContact CA-O 3.13Å; A621-V684 PolarHBondContact N-O 3.01Å; A621-V684 PolarHBondContact O-N 2.9Å; L623-V684 HydrophobicContact CB-CG2 4.48Å; I652-V684 HydrophobicContact CG2-CG2 4.34Å; V684-P687 HydrophobicContact CG1-CB 4.49Å; V684-P687 HydrophobicContact CG1-CG 4.19Å; V684-A690 HydrophobicContact CG1-CB 3.61Å; V684-F715 HydrophobicContact CB-CD2 4.5Å; V684-F715 HydrophobicContact CB-CE2 4.22Å; V684-F715 HydrophobicContact CG1-CD2 4.29Å; V684-F715 HydrophobicContact CG1-CE2 4.45Å; V684-F715 HydrophobicContact CG2-CD2 4.13Å; V684-F715 HydrophobicContact CG2-CE2 3.9Å
685	H	97.4	Very high	97.9	Very high	38 Å²	38	27.2 Å²	27.2	18%	0.176	15%	0.145	C	C	.	.	S	Bend	trans	-76.8	-31.3	-177	-64.1	-113.5	0	0	0	112.5	P612 Y618 V655 Q657 D658	P612-H685 HydrophobicContact CG-CB 3.9Å; Y618-H685 HydrophobicContact CE2-CB 4.05Å; Y618-H685 VanDerWaalsContact CE2-O 3.23Å; Y618-H685 WeakPolarHBondContact CE2-O 3.36Å; Y618-H685 AromaticContact CZ-ND1 3.95Å; Y618-H685 PolarHBondContact OH-ND1 2.78Å; V655-H685 HydrophobicContact CG2-CB 4.39Å; Q657-H685 PolarHBondContact OE1-CE1 3.23Å; Q657-H685 PolarHBondContact OE1-ND1 3.14Å; D658-H685 WeakPolarHBondContact OD1-CA 3.14Å; D658-H685 WeakPolarHBondContact OD1-CB 3.48Å; D658-H685 IonicContact OD1-CD2 2.75Å; D658-H685 PolarHBondContact OD1-CD2 3.33Å; D658-H685 IonicContact OD1-CG 3.99Å; D658-H685 PolarHBondContact OD1-N 3.02Å
686	S	96.7	Very high	98	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.			trans	-129.6	74.1	174.9	-67.6	0	0	0	0	112	R615 D658 E688 L689 A690	R615-S686 PolarHBondContact NH1-OG 3.04Å; D658-S686 PolarHBondContact OD2-N 2.84Å; S686-E688 PolarHBondContact O-N 3.09Å; S686-E688 VanDerWaalsContact O-N 3.07Å; S686-L689 PolarHBondContact O-N 2.68Å; S686-A690 PolarHBondContact O-N 3.43Å; S686-A690 VanDerWaalsContact O-N 3.17Å
687	P	97.3	Very high	97.9	Very high	14 Å²	14	24.3 Å²	24.3	9%	0.091	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-35.7	-179.7	-30.3	38.1	0	0	0	114.3	A621 V684 L689 A690 F715	A621-P687 HydrophobicContact CB-CG 3.86Å; V684-P687 HydrophobicContact CG1-CB 4.49Å; V684-P687 HydrophobicContact CG1-CG 4.19Å; P687-L689 PolarHBondContact O-N 2.87Å; P687-A690 PolarHBondContact O-N 2.8Å; P687-F715 HydrophobicContact CB-CD1 3.61Å; P687-F715 HydrophobicContact CB-CE1 3.68Å; P687-F715 HydrophobicContact CB-CG 4.25Å; P687-F715 HydrophobicContact CB-CZ 4.32Å; P687-F715 HydrophobicContact CG-CE1 4.38Å; P687-F715 WeakPolarHBondContact O-CB 3.45Å
688	E	97	Very high	97.7	Very high	76 Å²	76	20.8 Å²	20.8	36%	0.355	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-15.5	-177.7	-47.1	92.2	147.5	0	0	113.5	P597 F599 R615 S686	P597-E688 HydrophobicContact CB-CB 3.94Å; P597-E688 HydrophobicContact CG-CB 3.7Å; F599-E688 HydrophobicContact CE1-CB 4.36Å; R615-E688 IonicContact CZ-OE2 2.83Å; R615-E688 IonicContact NH1-OE2 2.75Å; R615-E688 IonicContact NH2-OE1 3.84Å; R615-E688 PolarHBondContact NH2-OE1 2.96Å; R615-E688 IonicContact NH2-OE2 3.69Å; R615-E688 PolarHBondContact NH2-OE2 3.44Å; S686-E688 PolarHBondContact O-N 3.09Å; S686-E688 VanDerWaalsContact O-N 3.07Å
689	L	97.4	Very high	97.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-20.4	177	-70.3	174.5	0	0	0	113.7	F299 Q557 R584 P597 F599 M600 F607 V655 S686 P687	F299-L689 HydrophobicContact CE2-CD2 4.29Å; F299-L689 HydrophobicContact CZ-CD2 4.11Å; Q557-L689 PolarHBondContact NE2-O 3.01Å; Q557-L689 VanDerWaalsContact NE2-O 3.09Å; R584-L689 PolarHBondContact NH2-O 3.37Å; P597-L689 HydrophobicContact CG-CD2 3.66Å; P597-L689 HydrophobicContact CG-CG 4.04Å; F599-L689 HydrophobicContact CE2-CD1 3.9Å; F599-L689 HydrophobicContact CE2-CG 4.43Å; F599-L689 HydrophobicContact CZ-CD1 3.86Å; F599-L689 HydrophobicContact CZ-CG 4Å; M600-L689 HydrophobicContact CE-CD1 3.47Å; M600-L689 VanDerWaalsContact CE-CD1 3.47Å; M600-L689 HydrophobicContact CE-CD2 3.75Å; M600-L689 HydrophobicContact CE-CG 4.24Å; M600-L689 HydrophobicContact SD-CD1 4.39Å; M600-L689 HydrophobicContact SD-CD2 3.72Å; F607-L689 HydrophobicContact CE1-CD1 4.23Å; F607-L689 HydrophobicContact CZ-CD1 3.78Å; V655-L689 HydrophobicContact CG1-CD1 4.1Å; S686-L689 PolarHBondContact O-N 2.68Å; P687-L689 PolarHBondContact O-N 2.87Å
690	A	98.5	Very high	96.8	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.008	10%	0.099	C	C	.	.			trans	-72.7	142.2	-171.5	0	0	0	0	0	112.8	I652 Y653 V684 S686 P687 F715	I652-A690 HydrophobicContact CG2-CB 4.42Å; Y653-A690 CarbonylContact O-C 3.52Å; Y653-A690 WeakPolarHBondContact O-CA 3.4Å; V684-A690 HydrophobicContact CG1-CB 3.61Å; S686-A690 PolarHBondContact O-N 3.43Å; S686-A690 VanDerWaalsContact O-N 3.17Å; P687-A690 PolarHBondContact O-N 2.8Å; A690-F715 HydrophobicContact CB-CB 4.09Å; A690-F715 PolarHBondContact O-N 3.04Å
691	L	98.8	Very high	95.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	142	166.3	-59.9	173.1	0	0	0	108.3	W560 L580 R584 Y653 T712 L713 P714	W560-L691 HydrophobicContact CE3-CD1 4.48Å; W560-L691 HydrophobicContact CZ3-CD1 3.84Å; L580-L691 HydrophobicContact CB-CD1 3.9Å; L580-L691 HydrophobicContact CD2-CB 4.35Å; L580-L691 HydrophobicContact CD2-CD1 3.9Å; L580-L691 HydrophobicContact CG-CD1 4.39Å; R584-L691 HydrophobicContact CB-CD1 4.46Å; R584-L691 HydrophobicContact CB-CD2 4.13Å; Y653-L691 PolarHBondContact N-O 2.94Å; Y653-L691 PolarHBondContact O-N 2.83Å; L691-T712 HydrophobicContact CB-CG2 4.47Å; L691-L713 CarbonylContact C-O 3.48Å; L691-L713 WeakPolarHBondContact CA-O 3.49Å; L691-P714 HydrophobicContact CD2-CB 4.09Å; L691-P714 HydrophobicContact CD2-CG 4.01Å
692	V	98.8	Very high	95	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.1	173.7	-174.6	0	0	0	0	108	L623 I625 V650 I652 F694 T712 L713 F715 I718	L623-V692 HydrophobicContact CD2-CG1 4.5Å; L623-V692 HydrophobicContact CD2-CG2 4Å; I625-V692 HydrophobicContact CD1-CG1 4.42Å; V650-V692 HydrophobicContact CG1-CG1 3.85Å; I652-V692 HydrophobicContact CD1-CB 4.28Å; I652-V692 HydrophobicContact CD1-CG1 3.94Å; I652-V692 HydrophobicContact CD1-CG2 3.76Å; V692-F694 HydrophobicContact CB-CE2 4.3Å; V692-F694 HydrophobicContact CG1-CD2 4.33Å; V692-F694 HydrophobicContact CG1-CE2 3.57Å; V692-F694 HydrophobicContact CG1-CZ 3.68Å; V692-T712 WeakPolarHBondContact O-CA 3.37Å; V692-L713 HydrophobicContact CB-CD2 4.33Å; V692-L713 PolarHBondContact N-O 3.21Å; V692-L713 PolarHBondContact O-N 2.91Å; V692-F715 HydrophobicContact CG2-CB 4.43Å; V692-F715 HydrophobicContact CG2-CD2 4.34Å; V692-I718 HydrophobicContact CB-CD1 4.2Å; V692-I718 HydrophobicContact CG2-CD1 3.7Å
693	R	98.6	Very high	94.4	Very high	15 Å²	15	33.2 Å²	33.2	6%	0.057	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.4	-179.4	176.4	168.1	-174.4	-91	-2.8	110.1	L576 D579 V650 E651 Y653 V695 F711 T712	L576-R693 VanDerWaalsContact CD1-CD 3.41Å; D579-R693 IonicContact OD2-CZ 3.87Å; D579-R693 IonicContact OD2-NE 2.64Å; D579-R693 PolarHBondContact OD2-NE 2.94Å; D579-R693 IonicContact OD2-NH2 3.43Å; D579-R693 PolarHBondContact OD2-NH2 3.34Å; V650-R693 WeakPolarHBondContact CA-O 3.48Å; E651-R693 HydrophobicContact CB-CB 4.33Å; E651-R693 PolarHBondContact N-O 2.85Å; E651-R693 PolarHBondContact O-N 3.47Å; E651-R693 IonicContact OE1-NH1 3.76Å; E651-R693 IonicContact OE2-CZ 3.37Å; E651-R693 IonicContact OE2-NH1 3.52Å; E651-R693 PolarHBondContact OE2-NH1 3.46Å; Y653-R693 HydrophobicContact CD2-CB 4.3Å; Y653-R693 HydrophobicContact CE2-CB 4.04Å; R693-V695 HydrophobicContact CG-CG2 3.97Å; R693-F711 WeakPolarHBondContact CA-O 3.48Å; R693-T712 HydrophobicContact CB-CG2 4.2Å; R693-T712 VanDerWaalsContact CG-OG1 3.29Å; R693-T712 WeakPolarHBondContact CG-OG1 3.46Å
694	F	98.7	Very high	93.8	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.9	174.9	-59.8	-93.2	0	0	0	108.3	I279 I625 V650 V692 Q710 F711 L713 I725	I279-F694 HydrophobicContact CD1-CE1 4.33Å; I279-F694 HydrophobicContact CD1-CE2 3.71Å; I279-F694 HydrophobicContact CD1-CZ 3.46Å; I279-F694 VanDerWaalsContact CD1-CZ 3.46Å; I625-F694 HydrophobicContact CD1-CE1 3.86Å; I625-F694 HydrophobicContact CD1-CZ 3.88Å; I625-F694 HydrophobicContact CG2-CE1 4.21Å; V650-F694 HydrophobicContact CG1-CD1 4.47Å; V650-F694 HydrophobicContact CG1-CE1 4.22Å; V650-F694 HydrophobicContact CG2-CD1 3.67Å; V650-F694 HydrophobicContact CG2-CE1 3.82Å; V692-F694 HydrophobicContact CB-CE2 4.3Å; V692-F694 HydrophobicContact CG1-CD2 4.33Å; V692-F694 HydrophobicContact CG1-CE2 3.57Å; V692-F694 HydrophobicContact CG1-CZ 3.68Å; F694-Q710 CarbonylContact O-C 3.49Å; F694-Q710 WeakPolarHBondContact O-CA 3.38Å; F694-Q710 WeakPolarHBondContact O-CB 3.4Å; F694-F711 PolarHBondContact N-O 2.81Å; F694-F711 PolarHBondContact O-N 2.84Å; F694-L713 HydrophobicContact CD2-CD2 4.26Å; F694-L713 HydrophobicContact CE2-CD2 3.71Å; F694-I725 HydrophobicContact CB-CD1 4.37Å; F694-I725 HydrophobicContact CB-CG2 4.31Å; F694-I725 HydrophobicContact CD1-CD1 3.29Å; F694-I725 HydrophobicContact CD2-CD1 3.95Å; F694-I725 HydrophobicContact CD2-CG2 4.37Å; F694-I725 HydrophobicContact CE1-CD1 3.37Å; F694-I725 HydrophobicContact CE2-CD1 4.03Å; F694-I725 HydrophobicContact CG-CD1 3.6Å; F694-I725 HydrophobicContact CG-CG2 4.31Å; F694-I725 HydrophobicContact CZ-CD1 3.76Å
695	V	98.4	Very high	93.3	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130.8	179.7	-165.9	0	0	0	0	108.4	V648 R649 R693 E697 F707	V648-V695 WeakPolarHBondContact CA-O 3.48Å; R649-V695 HydrophobicContact CB-CB 4.42Å; R649-V695 PolarHBondContact N-O 2.99Å; R649-V695 PolarHBondContact O-N 3Å; R693-V695 HydrophobicContact CG-CG2 3.97Å; V695-E697 HydrophobicContact CG1-CG 3.79Å; V695-F707 HydrophobicContact CG1-CD2 4.11Å; V695-F707 HydrophobicContact CG1-CE2 4.09Å
696	V	97.9	Very high	93	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	128.5	171.3	-173.6	0	0	0	0	107.7	L633 P646 L647 V648 I708 G709 L727 V740	L633-V696 HydrophobicContact CD1-CG1 3.79Å; L633-V696 HydrophobicContact CD2-CG1 4.03Å; P646-V696 HydrophobicContact CB-CG1 4.47Å; L647-V696 WeakPolarHBondContact O-CA 3.37Å; V648-V696 HydrophobicContact CG2-CG2 4.36Å; V696-I708 HydrophobicContact CB-CB 4.18Å; V696-I708 HydrophobicContact CG1-CB 4.05Å; V696-I708 HydrophobicContact CG1-CD1 4.03Å; V696-I708 HydrophobicContact CG1-CG1 4.38Å; V696-I708 HydrophobicContact CG1-CG2 4.3Å; V696-I708 WeakPolarHBondContact O-CA 3.38Å; V696-I708 VanDerWaalsContact O-CB 3.3Å; V696-I708 WeakPolarHBondContact O-CB 3.43Å; V696-I708 PolarHBondContact O-N 3.16Å; V696-G709 PolarHBondContact N-O 3.11Å; V696-G709 PolarHBondContact O-N 3.14Å; V696-L727 HydrophobicContact CB-CD1 4.36Å; V696-L727 HydrophobicContact CG2-CD1 3.83Å; V696-L727 HydrophobicContact CG2-CD2 3.76Å; V696-L727 HydrophobicContact CG2-CG 4.46Å; V696-V740 HydrophobicContact CG2-CG2 3.68Å
697	E	95.6	Very high	92.8	Very high	21 Å²	21	46.3 Å²	46.3	10%	0.098	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	150.4	-178.2	-54.9	-175.1	152	0	0	110.8	P646 L647 R649 V695 N705 D706	P646-E697 VanDerWaalsContact CA-O 3.31Å; P646-E697 WeakPolarHBondContact CA-O 3.49Å; L647-E697 HydrophobicContact CD1-CB 4.26Å; L647-E697 HydrophobicContact CG-CB 4.44Å; L647-E697 PolarHBondContact N-O 3.16Å; L647-E697 PolarHBondContact O-N 2.83Å; L647-E697 VanDerWaalsContact O-N 3.11Å; R649-E697 IonicContact CZ-OE1 3.66Å; R649-E697 IonicContact NH2-OE1 2.98Å; R649-E697 PolarHBondContact NH2-OE1 2.95Å; R649-E697 IonicContact NH2-OE2 2.71Å; V695-E697 HydrophobicContact CG1-CG 3.79Å; E697-N705 HydrophobicContact CB-CB 3.74Å; E697-N705 HydrophobicContact CG-CB 4.43Å; E697-N705 WeakPolarHBondContact OE2-CB 3.14Å; E697-N705 PolarHBondContact OE2-ND2 3.44Å; E697-D706 CarbonylContact C-O 3.33Å; E697-D706 VanDerWaalsContact CA-O 3.32Å; E697-D706 WeakPolarHBondContact CA-O 3.33Å
698	D	93.4	Very high	92.6	Very high	13 Å²	13	46 Å²	46	7%	0.07	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	113.8	171	-179.3	18.5	0	0	0	108.3	V636 V644 D645 D700 N705 D706 I708	V636-D698 HydrophobicContact CG2-CB 4.46Å; V644-D698 VanDerWaalsContact CA-OD1 3.29Å; V644-D698 WeakPolarHBondContact CA-OD1 3.24Å; V644-D698 HydrophobicContact CB-CB 4.16Å; V644-D698 HydrophobicContact CG1-CB 4.34Å; D645-D698 PolarHBondContact N-OD1 3.24Å; D698-D700 PolarHBondContact O-N 2.88Å; D698-N705 CarbonylContact O-C 3.58Å; D698-N705 WeakPolarHBondContact O-CA 3.36Å; D698-N705 VanDerWaalsContact O-CB 3.31Å; D698-N705 WeakPolarHBondContact O-CB 3.26Å; D698-D706 HydrophobicContact CB-CB 4.08Å; D698-D706 PolarHBondContact N-O 2.9Å; D698-D706 PolarHBondContact O-N 3.24Å; D698-I708 HydrophobicContact CB-CD1 4Å; D698-I708 HydrophobicContact CB-CG1 4.14Å
699	H	90.9	Very high	92.5	Very high	46 Å²	46	42.4 Å²	42.4	21%	0.213	21%	0.206	C	C	.	.			trans	-68.4	125.6	-175	-179.8	60.4	0	0	0	111.7	D645 L647 H666 N705	D645-H699 HydrophobicContact CB-CB 4Å; D645-H699 VanDerWaalsContact O-CB 3.29Å; D645-H699 WeakPolarHBondContact O-CB 3.43Å; D645-H699 PolarHBondContact O-N 3.17Å; L647-H699 HydrophobicContact CD2-CB 4.26Å; H666-H699 HydrophobicContact CB-CB 3.8Å; H666-H699 AromaticContact CD2-CD2 3.9Å; H666-H699 AromaticContact CE1-CD2 3.62Å; H666-H699 AromaticContact CE1-NE2 3.84Å; H666-H699 AromaticContact CG-CD2 3.69Å; H666-H699 AromaticContact CG-CG 3.92Å; H666-H699 AromaticContact ND1-CD2 3.5Å; H666-H699 PolarHBondContact ND1-CD2 3.44Å; H666-H699 AromaticContact ND1-CG 3.92Å; H666-H699 AromaticContact ND1-NE2 3.87Å; H666-H699 AromaticContact NE2-CD2 3.88Å; H699-N705 PolarHBondContact ND1-OD1 3.48Å
700	D	85.2	Confident	92.6	Very high	47 Å²	47	42.5 Å²	42.5	25%	0.251	21%	0.207	S	C	.	.			trans	-117.1	125.2	172	-169.6	-25.8	0	0	0	110.4	D698 T702 S703 N705	D698-D700 PolarHBondContact O-N 2.88Å; D700-T702 PolarHBondContact O-N 3.23Å; D700-T702 WeakPolarHBondContact OD1-CA 3.26Å; D700-T702 PolarHBondContact OD1-N 3.35Å; D700-T702 PolarHBondContact OD1-OG1 3.46Å; D700-S703 VanDerWaalsContact CG-OG 3.24Å; D700-S703 PolarHBondContact OD1-N 2.79Å; D700-S703 WeakPolarHBondContact OD2-CB 3.23Å; D700-S703 PolarHBondContact OD2-OG 3.37Å; D700-N705 PolarHBondContact N-OD1 2.9Å
701	K	81.1	Confident	92.5	Very high	160 Å²	160	42.9 Å²	42.9	70%	0.696	21%	0.208	S	C	*	.	S	Bend	trans	-68.1	-22.3	178.4	-65.9	179.1	-176.3	169.7	0	113.4
702	T	79.1	Confident	92.5	Very high	132 Å²	132	43 Å²	43	81%	0.81	21%	0.209	S	C	*	.	S	Bend	trans	-118.2	-13.8	-168	61.8	0	0	0	0	113.9	D700	D700-T702 PolarHBondContact O-N 3.23Å; D700-T702 WeakPolarHBondContact OD1-CA 3.26Å; D700-T702 PolarHBondContact OD1-N 3.35Å; D700-T702 PolarHBondContact OD1-OG1 3.46Å
703	S	84.6	Confident	92.5	Very high	66 Å²	66	43 Å²	43	46%	0.462	21%	0.209	S	C	.	.	S	Bend	trans	-137.6	-169.3	-179.2	91.3	0	0	0	0	111.3	D700	D700-S703 VanDerWaalsContact CG-OG 3.24Å; D700-S703 PolarHBondContact OD1-N 2.79Å; D700-S703 WeakPolarHBondContact OD2-CB 3.23Å; D700-S703 PolarHBondContact OD2-OG 3.37Å
704	R	85.8	Confident	92.5	Very high	225 Å²	225	42.5 Å²	42.5	85%	0.849	21%	0.208	S	C	*	.	P	Polyproline II helix	trans	-78.5	143.9	173.3	-70.8	-177.1	176.6	-178	-1.5	108.1	D706	R704-D706 PolarHBondContact O-N 3.12Å
705	N	89.1	Confident	92.5	Very high	44 Å²	44	43.5 Å²	43.5	24%	0.235	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-54.7	140.7	175.8	-56.5	-18.7	0	0	0	111	E697 D698 H699 D700	E697-N705 HydrophobicContact CB-CB 3.74Å; E697-N705 HydrophobicContact CG-CB 4.43Å; E697-N705 WeakPolarHBondContact OE2-CB 3.14Å; E697-N705 PolarHBondContact OE2-ND2 3.44Å; D698-N705 CarbonylContact O-C 3.58Å; D698-N705 WeakPolarHBondContact O-CA 3.36Å; D698-N705 VanDerWaalsContact O-CB 3.31Å; D698-N705 WeakPolarHBondContact O-CB 3.26Å; H699-N705 PolarHBondContact ND1-OD1 3.48Å; D700-N705 PolarHBondContact N-OD1 2.9Å
706	D	90.2	Very high	92.5	Very high	52 Å²	52	47.1 Å²	47.1	28%	0.278	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	132.4	177.7	-80.9	-37.8	0	0	0	109.5	V636 N637 E697 D698 R704 I708	V636-D706 HydrophobicContact CB-CB 4.13Å; V636-D706 HydrophobicContact CG1-CB 3.88Å; N637-D706 PolarHBondContact ND2-OD2 2.66Å; E697-D706 CarbonylContact C-O 3.33Å; E697-D706 VanDerWaalsContact CA-O 3.32Å; E697-D706 WeakPolarHBondContact CA-O 3.33Å; D698-D706 HydrophobicContact CB-CB 4.08Å; D698-D706 PolarHBondContact N-O 2.9Å; D698-D706 PolarHBondContact O-N 3.24Å; R704-D706 PolarHBondContact O-N 3.12Å; D706-I708 PolarHBondContact O-N 3.36Å
707	F	92.8	Very high	92.5	Very high	59 Å²	59	47.1 Å²	47.1	26%	0.259	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	127.2	-179.9	176.8	-85.4	0	0	0	111.2	V636 V695 G709 Q710 K730	V636-F707 WeakPolarHBondContact CG1-O 3.27Å; V695-F707 HydrophobicContact CG1-CD2 4.11Å; V695-F707 HydrophobicContact CG1-CE2 4.09Å; F707-G709 VanDerWaalsContact CE1-CA 3.49Å; F707-Q710 HydrophobicContact CE2-CB 3.82Å; F707-Q710 HydrophobicContact CE2-CG 4.09Å; F707-Q710 HydrophobicContact CZ-CB 3.76Å; F707-Q710 HydrophobicContact CZ-CG 3.71Å; F707-K730 HydrophobicContact CD1-CB 4.15Å; F707-K730 HydrophobicContact CE1-CB 3.92Å
708	I	92.9	Very high	92.6	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.036	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-54.8	174.6	-55.1	-166.7	0	0	0	110.5	L633 P634 V636 V644 P646 V696 D698 D706	L633-I708 HydrophobicContact CB-CG2 4.12Å; L633-I708 HydrophobicContact CD1-CD1 4.44Å; L633-I708 HydrophobicContact CD2-CG2 4.38Å; P634-I708 VanDerWaalsContact CD-CG2 3.49Å; P634-I708 HydrophobicContact CG-CG2 3.62Å; V636-I708 HydrophobicContact CG2-CB 4.28Å; V636-I708 HydrophobicContact CG2-CD1 4.41Å; V636-I708 HydrophobicContact CG2-CG1 3.62Å; V644-I708 HydrophobicContact CB-CD1 4.16Å; V644-I708 HydrophobicContact CG1-CD1 4.37Å; V644-I708 HydrophobicContact CG2-CD1 4.16Å; P646-I708 HydrophobicContact CB-CD1 4.46Å; V696-I708 HydrophobicContact CB-CB 4.18Å; V696-I708 HydrophobicContact CG1-CB 4.05Å; V696-I708 HydrophobicContact CG1-CD1 4.03Å; V696-I708 HydrophobicContact CG1-CG1 4.38Å; V696-I708 HydrophobicContact CG1-CG2 4.3Å; V696-I708 WeakPolarHBondContact O-CA 3.38Å; V696-I708 VanDerWaalsContact O-CB 3.3Å; V696-I708 WeakPolarHBondContact O-CB 3.43Å; V696-I708 PolarHBondContact O-N 3.16Å; D698-I708 HydrophobicContact CB-CD1 4Å; D698-I708 HydrophobicContact CB-CG1 4.14Å; D706-I708 PolarHBondContact O-N 3.36Å
709	G	95.6	Very high	92.7	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.1	165.1	-175.7	0	0	0	0	0	112.6	V696 F707 L728	V696-G709 PolarHBondContact N-O 3.11Å; V696-G709 PolarHBondContact O-N 3.14Å; F707-G709 VanDerWaalsContact CE1-CA 3.49Å; G709-L728 CarbonylContact C-O 3.1Å; G709-L728 WeakPolarHBondContact CA-O 3.27Å
710	Q	97.6	Very high	93	Very high	3 Å²	3	48.8 Å²	48.8	1%	0.014	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	160.8	177.4	69.8	87.9	10.1	0	0	112.7	D579 F694 F707 T712 L728	D579-Q710 PolarHBondContact OD1-NE2 2.9Å; D579-Q710 WeakPolarHBondContact OD2-CG 3.39Å; F694-Q710 CarbonylContact O-C 3.49Å; F694-Q710 WeakPolarHBondContact O-CA 3.38Å; F694-Q710 WeakPolarHBondContact O-CB 3.4Å; F707-Q710 HydrophobicContact CE2-CB 3.82Å; F707-Q710 HydrophobicContact CE2-CG 4.09Å; F707-Q710 HydrophobicContact CZ-CB 3.76Å; F707-Q710 HydrophobicContact CZ-CG 3.71Å; Q710-T712 PolarHBondContact OE1-OG1 3.31Å; Q710-L728 PolarHBondContact N-O 3.11Å; Q710-L728 WeakPolarHBondContact O-CA 3.43Å; Q710-L728 VanDerWaalsContact O-CB 3.27Å; Q710-L728 WeakPolarHBondContact O-CB 3.27Å; Q710-L728 PolarHBondContact O-N 3.05Å
711	F	98.4	Very high	93.6	Very high	9 Å²	9	46.6 Å²	46.6	4%	0.039	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	135.4	162.8	-171.8	-93.1	0	0	0	109.9	I279 F280 R586 R693 F694 L713 I725 H726 L728	I279-F711 HydrophobicContact CG2-CD1 4.13Å; I279-F711 HydrophobicContact CG2-CE1 3.74Å; I279-F711 HydrophobicContact CG2-CZ 4.45Å; F280-F711 HydrophobicContact CB-CE1 4.42Å; F280-F711 HydrophobicContact CB-CZ 4.09Å; R586-F711 VanDerWaalsContact NH1-CZ 3.32Å; R693-F711 WeakPolarHBondContact CA-O 3.48Å; F694-F711 PolarHBondContact N-O 2.81Å; F694-F711 PolarHBondContact O-N 2.84Å; F711-L713 HydrophobicContact CD1-CD2 4.1Å; F711-L713 HydrophobicContact CE1-CB 4.03Å; F711-L713 HydrophobicContact CE1-CD1 4.18Å; F711-L713 HydrophobicContact CE1-CD2 4.04Å; F711-L713 HydrophobicContact CE1-CG 4.31Å; F711-I725 HydrophobicContact CB-CG2 3.43Å; F711-I725 VanDerWaalsContact CB-CG2 3.43Å; F711-I725 HydrophobicContact CD1-CG2 3.93Å; F711-I725 HydrophobicContact CG-CG2 3.79Å; F711-H726 WeakPolarHBondContact CD2-O 3.38Å; F711-L728 HydrophobicContact CD2-CD1 4.16Å; F711-L728 HydrophobicContact CD2-CG 4.28Å
712	T	98.6	Very high	94.4	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	135.6	-178.6	-57	0	0	0	0	110.2	L580 G583 L691 V692 R693 Q710	L580-T712 HydrophobicContact CD2-CG2 3.98Å; G583-T712 VanDerWaalsContact CA-O 3.25Å; G583-T712 WeakPolarHBondContact CA-O 3.33Å; L691-T712 HydrophobicContact CB-CG2 4.47Å; V692-T712 WeakPolarHBondContact O-CA 3.37Å; R693-T712 HydrophobicContact CB-CG2 4.2Å; R693-T712 VanDerWaalsContact CG-OG1 3.29Å; R693-T712 WeakPolarHBondContact CG-OG1 3.46Å; Q710-T712 PolarHBondContact OE1-OG1 3.31Å
713	L	98.6	Very high	95.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	158.7	176	75.2	171.7	0	0	0	112.3	I279 F280 L691 V692 F694 F711 C717 I718	I279-L713 HydrophobicContact CG1-CD1 4.42Å; I279-L713 HydrophobicContact CG2-CD1 4.21Å; F280-L713 HydrophobicContact CB-CD1 4.19Å; F280-L713 HydrophobicContact CD2-CB 3.85Å; F280-L713 HydrophobicContact CD2-CD1 3.97Å; F280-L713 HydrophobicContact CE2-CB 4.31Å; F280-L713 HydrophobicContact CG-CD1 4.49Å; L691-L713 CarbonylContact C-O 3.48Å; L691-L713 WeakPolarHBondContact CA-O 3.49Å; V692-L713 HydrophobicContact CB-CD2 4.33Å; V692-L713 PolarHBondContact N-O 3.21Å; V692-L713 PolarHBondContact O-N 2.91Å; F694-L713 HydrophobicContact CD2-CD2 4.26Å; F694-L713 HydrophobicContact CE2-CD2 3.71Å; F711-L713 HydrophobicContact CD1-CD2 4.1Å; F711-L713 HydrophobicContact CE1-CB 4.03Å; F711-L713 HydrophobicContact CE1-CD1 4.18Å; F711-L713 HydrophobicContact CE1-CD2 4.04Å; F711-L713 HydrophobicContact CE1-CG 4.31Å; L713-C717 HydrophobicContact CD1-CB 4.41Å; L713-I718 HydrophobicContact CD1-CG1 3.83Å; L713-I718 HydrophobicContact CD2-CG1 4.35Å; L713-I718 HydrophobicContact CG-CG1 4.09Å
714	P	98.6	Very high	95.9	Very high	4 Å²	4	31.3 Å²	31.3	3%	0.026	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	143.7	168.1	-16.6	30.5	0	0	0	111.5	G583 L691 T716 C717	G583-P714 WeakPolarHBondContact O-CD 3.44Å; L691-P714 HydrophobicContact CD2-CB 4.09Å; L691-P714 HydrophobicContact CD2-CG 4.01Å; P714-T716 PolarHBondContact O-N 3.34Å; P714-C717 HydrophobicContact CB-CB 4.38Å; P714-C717 HydrophobicContact CG-CB 4.45Å; P714-C717 WeakPolarHBondContact O-CB 3.25Å; P714-C717 PolarHBondContact O-N 3.38Å
715	F	98.5	Very high	96.5	Very high	22 Å²	22	20.6 Å²	20.6	10%	0.096	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-53.4	-42.2	174.9	178.5	-77.7	0	0	0	111.5	A621 L623 V684 P687 A690 V692 C717 I718 V746	A621-F715 HydrophobicContact CB-CE1 4.49Å; A621-F715 HydrophobicContact CB-CZ 3.82Å; L623-F715 HydrophobicContact CB-CE2 4Å; L623-F715 HydrophobicContact CD1-CE2 4.48Å; L623-F715 HydrophobicContact CD2-CD2 4.28Å; L623-F715 HydrophobicContact CD2-CE2 4.15Å; L623-F715 HydrophobicContact CG-CE2 4.46Å; V684-F715 HydrophobicContact CB-CD2 4.5Å; V684-F715 HydrophobicContact CB-CE2 4.22Å; V684-F715 HydrophobicContact CG1-CD2 4.29Å; V684-F715 HydrophobicContact CG1-CE2 4.45Å; V684-F715 HydrophobicContact CG2-CD2 4.13Å; V684-F715 HydrophobicContact CG2-CE2 3.9Å; P687-F715 HydrophobicContact CB-CD1 3.61Å; P687-F715 HydrophobicContact CB-CE1 3.68Å; P687-F715 HydrophobicContact CB-CG 4.25Å; P687-F715 HydrophobicContact CB-CZ 4.32Å; P687-F715 HydrophobicContact CG-CE1 4.38Å; P687-F715 WeakPolarHBondContact O-CB 3.45Å; A690-F715 HydrophobicContact CB-CB 4.09Å; A690-F715 PolarHBondContact O-N 3.04Å; V692-F715 HydrophobicContact CG2-CB 4.43Å; V692-F715 HydrophobicContact CG2-CD2 4.34Å; F715-C717 PolarHBondContact O-N 3.35Å; F715-C717 VanDerWaalsContact O-N 3.12Å; F715-I718 HydrophobicContact CD2-CD1 4.44Å; F715-I718 WeakPolarHBondContact O-CB 3.04Å; F715-I718 WeakPolarHBondContact O-CG1 3.36Å; F715-I718 PolarHBondContact O-N 2.97Å; F715-I718 VanDerWaalsContact O-N 3.16Å; F715-V746 HydrophobicContact CE1-CG1 4.42Å; F715-V746 HydrophobicContact CZ-CG1 3.83Å; F715-V746 HydrophobicContact CZ-CG2 4.06Å
716	T	97.3	Very high	96.7	Very high	77 Å²	77	21.5 Å²	21.5	47%	0.472	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-66.9	-9.7	179.5	53.3	0	0	0	0	114.1	P714	P714-T716 PolarHBondContact O-N 3.34Å
717	C	97.9	Very high	97	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.007	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-99.5	-0.1	177	-60	0	0	0	0	113.9	F280 N281 L284 L713 P714 F715	F280-C717 HydrophobicContact CD2-CB 4.02Å; F280-C717 HydrophobicContact CE2-CB 3.67Å; F280-C717 HydrophobicContact CZ-CB 4.03Å; N281-C717 PolarHBondContact N-O 3.4Å; L284-C717 HydrophobicContact CD1-CB 4.02Å; L713-C717 HydrophobicContact CD1-CB 4.41Å; P714-C717 HydrophobicContact CB-CB 4.38Å; P714-C717 HydrophobicContact CG-CB 4.45Å; P714-C717 WeakPolarHBondContact O-CB 3.25Å; P714-C717 PolarHBondContact O-N 3.38Å; F715-C717 PolarHBondContact O-N 3.35Å; F715-C717 VanDerWaalsContact O-N 3.12Å
718	I	97.8	Very high	97	Very high	22 Å²	22	17 Å²	17	11%	0.113	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	-73.1	131.1	-179.6	-68.3	172.2	0	0	0	110.3	I279 L623 V692 L713 F715 V744	I279-I718 HydrophobicContact CG1-CG2 4.31Å; I279-I718 WeakPolarHBondContact O-CA 3.01Å; L623-I718 HydrophobicContact CD2-CD1 4.48Å; V692-I718 HydrophobicContact CB-CD1 4.2Å; V692-I718 HydrophobicContact CG2-CD1 3.7Å; L713-I718 HydrophobicContact CD1-CG1 3.83Å; L713-I718 HydrophobicContact CD2-CG1 4.35Å; L713-I718 HydrophobicContact CG-CG1 4.09Å; F715-I718 HydrophobicContact CD2-CD1 4.44Å; F715-I718 WeakPolarHBondContact O-CB 3.04Å; F715-I718 WeakPolarHBondContact O-CG1 3.36Å; F715-I718 PolarHBondContact O-N 2.97Å; F715-I718 VanDerWaalsContact O-N 3.16Å; I718-V744 HydrophobicContact CG2-CG1 3.7Å
719	Q	96.6	Very high	96.8	Very high	30 Å²	30	17.5 Å²	17.5	14%	0.14	9%	0.091	C	C	.	.	P	Polyproline II helix	trans	-86.7	143.9	163.6	-60	-163.1	82.8	0	0	111	E276 S278 I279 F280 N281 R723	E276-Q719 PolarHBondContact O-NE2 2.93Å; S278-Q719 PolarHBondContact O-NE2 2.81Å; I279-Q719 PolarHBondContact O-N 3.44Å; F280-Q719 PolarHBondContact O-NE2 3.05Å; N281-Q719 HydrophobicContact CB-CG 3.7Å; Q719-R723 HydrophobicContact CB-CG 4.35Å; Q719-R723 VanDerWaalsContact CB-CZ 3.49Å
720	L	96.8	Very high	96.5	Very high	63 Å²	63	23.8 Å²	23.8	33%	0.33	12%	0.118	S	C	.	.	P	Polyproline II helix	trans	-81.7	164.6	176.2	-55.6	-176.6	0	0	0	111.3	Q234 R723 V746	Q234-L720 PolarHBondContact OE1-O 3.2Å; L720-R723 VanDerWaalsContact O-CZ 3.3Å; L720-R723 PolarHBondContact O-NE 2.77Å; L720-R723 PolarHBondContact O-NH2 3.34Å; L720-V746 HydrophobicContact CD2-CB 3.96Å; L720-V746 HydrophobicContact CD2-CG2 3.7Å
721	G	97.8	Very high	95.8	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.01	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.8	-157.5	175.8	0	0	0	0	0	114.8	E233 R723 N743 V744	E233-G721 WeakPolarHBondContact O-CA 3.27Å; G721-R723 PolarHBondContact O-N 2.98Å; G721-N743 CarbonylContact O-C 3.49Å; G721-N743 VanDerWaalsContact O-CA 3.31Å; G721-N743 WeakPolarHBondContact O-CA 3.44Å; G721-V744 PolarHBondContact N-O 3.07Å; G721-V744 PolarHBondContact O-N 2.7Å
722	Y	98.3	Very high	95.2	Very high	31 Å²	31	26.1 Å²	26.1	12%	0.122	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	115.1	-179.3	-66.3	-79.5	0	0	0	111.1	V210 F229 E233 Q234 I628 F741 V742 N743	V210-Y722 HydrophobicContact CG1-CD2 4Å; V210-Y722 HydrophobicContact CG1-CE2 3.81Å; V210-Y722 HydrophobicContact CG2-CD1 4.25Å; V210-Y722 HydrophobicContact CG2-CE1 3.68Å; V210-Y722 HydrophobicContact CG2-CE2 4.04Å; F229-Y722 AromaticContact CE2-CD2 3.85Å; F229-Y722 HydrophobicContact CE2-CD2 3.85Å; F229-Y722 HydrophobicContact CE2-CE2 4.35Å; F229-Y722 HydrophobicContact CZ-CD2 4.2Å; E233-Y722 HydrophobicContact CB-CD2 3.96Å; E233-Y722 HydrophobicContact CB-CE2 4.01Å; E233-Y722 HydrophobicContact CG-CD2 4.33Å; E233-Y722 HydrophobicContact CG-CE2 3.92Å; E233-Y722 WeakPolarHBondContact OE2-CE2 3.3Å; Q234-Y722 PolarHBondContact NE2-O 2.8Å; Q234-Y722 PolarHBondContact OE1-O 2.9Å; I628-Y722 HydrophobicContact CD1-CD1 3.68Å; I628-Y722 HydrophobicContact CD1-CE1 3.61Å; Y722-F741 AromaticContact CD1-CE1 4Å; Y722-F741 HydrophobicContact CD1-CE1 4Å; Y722-F741 HydrophobicContact CD1-CE2 4.3Å; Y722-F741 AromaticContact CD1-CZ 3.57Å; Y722-F741 HydrophobicContact CD1-CZ 3.57Å; Y722-F741 AromaticContact CG-CZ 4Å; Y722-F741 HydrophobicContact CG-CZ 4Å; Y722-V742 CarbonylContact C-O 3.45Å; Y722-V742 VanDerWaalsContact CA-O 3.28Å; Y722-V742 WeakPolarHBondContact CA-O 3.34Å; Y722-N743 HydrophobicContact CD1-CB 3.87Å; Y722-N743 HydrophobicContact CE1-CB 3.84Å; Y722-N743 WeakPolarHBondContact CE2-ND2 3.29Å
723	R	97.9	Very high	94.4	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.015	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	150.6	-173.3	-59.2	-62	171.9	175.1	-1.9	112.5	E276 G277 I279 Q719 L720 G721 F741 V742	E276-R723 PolarHBondContact O-NH1 3.24Å; G277-R723 VanDerWaalsContact O-CA 3.28Å; G277-R723 WeakPolarHBondContact O-CA 3.34Å; G277-R723 WeakPolarHBondContact O-CD 3.49Å; I279-R723 HydrophobicContact CB-CB 4.07Å; Q719-R723 HydrophobicContact CB-CG 4.35Å; Q719-R723 VanDerWaalsContact CB-CZ 3.49Å; L720-R723 VanDerWaalsContact O-CZ 3.3Å; L720-R723 PolarHBondContact O-NE 2.77Å; L720-R723 PolarHBondContact O-NH2 3.34Å; G721-R723 PolarHBondContact O-N 2.98Å; R723-F741 WeakPolarHBondContact O-CD2 3.47Å; R723-V742 HydrophobicContact CB-CG2 4.24Å; R723-V742 PolarHBondContact N-O 2.83Å; R723-V742 WeakPolarHBondContact O-CG2 3.43Å; R723-V742 PolarHBondContact O-N 3.32Å
724	H	96.9	Very high	93.7	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.009	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	139.4	167	-82.4	-98.4	0	0	0	111.8	L272 G277 S278 I279 Q631 S739 V740 F741	L272-H724 PolarHBondContact O-CD2 3.43Å; G277-H724 PolarHBondContact O-N 3.39Å; S278-H724 CarbonylContact C-O 3.51Å; S278-H724 WeakPolarHBondContact CA-O 3.3Å; I279-H724 PolarHBondContact N-O 3.38Å; Q631-H724 PolarHBondContact OE1-CE1 3.35Å; H724-S739 PolarHBondContact ND1-OG 2.73Å; H724-V740 CarbonylContact C-O 3.52Å; H724-V740 WeakPolarHBondContact CA-O 3.41Å; H724-F741 AromaticContact CD2-CD2 3.54Å; H724-F741 AromaticContact NE2-CD2 3.36Å; H724-F741 WeakPolarHBondContact NE2-CD2 3.48Å; H724-F741 AromaticContact NE2-CE2 3.94Å; H724-F741 AromaticContact NE2-CG 3.99Å
725	I	98	Very high	92.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	99.3	173	-50.6	-177.9	0	0	0	107.3	I279 F694 F711 L727 S739 V740 V742	I279-I725 HydrophobicContact CB-CG1 4.07Å; I279-I725 HydrophobicContact CD1-CD1 3.87Å; I279-I725 HydrophobicContact CD1-CG1 4.03Å; I279-I725 HydrophobicContact CG2-CB 4.41Å; I279-I725 HydrophobicContact CG2-CG1 3.9Å; I279-I725 HydrophobicContact CG2-CG2 4.39Å; F694-I725 HydrophobicContact CB-CD1 4.37Å; F694-I725 HydrophobicContact CB-CG2 4.31Å; F694-I725 HydrophobicContact CD1-CD1 3.29Å; F694-I725 HydrophobicContact CD2-CD1 3.95Å; F694-I725 HydrophobicContact CD2-CG2 4.37Å; F694-I725 HydrophobicContact CE1-CD1 3.37Å; F694-I725 HydrophobicContact CE2-CD1 4.03Å; F694-I725 HydrophobicContact CG-CD1 3.6Å; F694-I725 HydrophobicContact CG-CG2 4.31Å; F694-I725 HydrophobicContact CZ-CD1 3.76Å; F711-I725 HydrophobicContact CB-CG2 3.43Å; F711-I725 VanDerWaalsContact CB-CG2 3.43Å; F711-I725 HydrophobicContact CD1-CG2 3.93Å; F711-I725 HydrophobicContact CG-CG2 3.79Å; I725-L727 PolarHBondContact O-N 3.23Å; I725-S739 CarbonylContact O-C 3.54Å; I725-S739 WeakPolarHBondContact O-CA 3.29Å; I725-S739 VanDerWaalsContact O-CB 3.27Å; I725-S739 WeakPolarHBondContact O-CB 3.43Å; I725-V740 HydrophobicContact CB-CB 4.23Å; I725-V740 PolarHBondContact N-O 3.18Å; I725-V740 PolarHBondContact O-N 3.49Å; I725-V742 HydrophobicContact CD1-CG1 3.78Å; I725-V742 HydrophobicContact CD1-CG2 3.94Å; I725-V742 HydrophobicContact CG1-CG1 4.42Å; I725-V742 HydrophobicContact CG1-CG2 4.06Å
726	H	94.4	Very high	91.7	Very high	62 Å²	62	34.9 Å²	34.9	29%	0.287	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	118.2	179.6	-57.4	-78.9	0	0	0	110.4	C273 F711	C273-H726 PolarHBondContact O-CE1 2.9Å; F711-H726 WeakPolarHBondContact CD2-O 3.38Å
727	L	95.6	Very high	90.6	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	144.7	-170.3	-64.2	174.9	0	0	0	112	L633 V696 I725 I735 S738 V740	L633-L727 HydrophobicContact CD2-CD1 3.48Å; L633-L727 VanDerWaalsContact CD2-CD1 3.48Å; V696-L727 HydrophobicContact CB-CD1 4.36Å; V696-L727 HydrophobicContact CG2-CD1 3.83Å; V696-L727 HydrophobicContact CG2-CD2 3.76Å; V696-L727 HydrophobicContact CG2-CG 4.46Å; I725-L727 PolarHBondContact O-N 3.23Å; L727-I735 HydrophobicContact CB-CD1 4.43Å; L727-I735 PolarHBondContact O-N 2.84Å; L727-S738 PolarHBondContact N-O 3.06Å; L727-V740 HydrophobicContact CD1-CG2 4.43Å; L727-V740 HydrophobicContact CD2-CG2 4.13Å
728	L	93.1	Very high	90.2	Very high	16 Å²	16	33 Å²	33	8%	0.084	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	146.8	172.2	-50.8	171.7	0	0	0	109.5	G709 Q710 F711 T733 A734	G709-L728 CarbonylContact C-O 3.1Å; G709-L728 WeakPolarHBondContact CA-O 3.27Å; Q710-L728 PolarHBondContact N-O 3.11Å; Q710-L728 WeakPolarHBondContact O-CA 3.43Å; Q710-L728 VanDerWaalsContact O-CB 3.27Å; Q710-L728 WeakPolarHBondContact O-CB 3.27Å; Q710-L728 PolarHBondContact O-N 3.05Å; F711-L728 HydrophobicContact CD2-CD1 4.16Å; F711-L728 HydrophobicContact CD2-CG 4.28Å; L728-T733 CarbonylContact C-O 2.89Å; L728-T733 VanDerWaalsContact CA-O 3.23Å; L728-T733 WeakPolarHBondContact CA-O 3.36Å; L728-A734 HydrophobicContact CD2-CB 4.32Å
729	S	89.4	Confident	90	Very high	17 Å²	17	31.9 Å²	31.9	12%	0.119	18%	0.182	C	C	.	.			trans	-66.8	176.1	171.3	70.1	0	0	0	0	111.2	D731 G732 T733	S729-D731 WeakPolarHBondContact CB-OD1 3.2Å; S729-D731 PolarHBondContact O-N 3.24Å; S729-D731 PolarHBondContact OG-N 3.08Å; S729-D731 PolarHBondContact OG-OD1 3.08Å; S729-G732 PolarHBondContact O-N 3.25Å; S729-G732 PolarHBondContact OG-N 3.19Å; S729-T733 WeakPolarHBondContact CB-OG1 3.43Å; S729-T733 PolarHBondContact N-O 3.38Å; S729-T733 PolarHBondContact OG-N 3.4Å; S729-T733 PolarHBondContact OG-O 3.14Å; S729-T733 PolarHBondContact OG-OG1 2.88Å
730	K	87.9	Confident	90.1	Very high	132 Å²	132	30.5 Å²	30.5	57%	0.574	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-34.4	174.2	-175.3	175.2	179.8	179	0	112.5	A574 F707 G732	A574-K730 HydrophobicContact CB-CG 4.27Å; A574-K730 WeakPolarHBondContact CB-O 3.45Å; F707-K730 HydrophobicContact CD1-CB 4.15Å; F707-K730 HydrophobicContact CE1-CB 3.92Å; K730-G732 VanDerWaalsContact C-N 3.32Å
731	D	83.1	Confident	90.1	Very high	38 Å²	38	27.5 Å²	27.5	20%	0.203	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	8.7	179.1	68.9	-45.9	0	0	0	113.8	R97 S729 T733	R97-D731 HydrophobicContact CB-CB 4.24Å; R97-D731 VanDerWaalsContact NH1-C 3.33Å; R97-D731 PolarHBondContact NH1-O 3.33Å; S729-D731 WeakPolarHBondContact CB-OD1 3.2Å; S729-D731 PolarHBondContact O-N 3.24Å; S729-D731 PolarHBondContact OG-N 3.08Å; S729-D731 PolarHBondContact OG-OD1 3.08Å; D731-T733 PolarHBondContact OD1-OG1 3.29Å; D731-T733 WeakPolarHBondContact OD2-CG2 3.44Å
732	G	85.4	Confident	90.2	Very high	23 Å²	23	27.5 Å²	27.5	24%	0.237	16%	0.16	C	C	.	.	S	Bend	trans	81.6	13.9	174.4	0	0	0	0	0	114.8	S729 K730	S729-G732 PolarHBondContact O-N 3.25Å; S729-G732 PolarHBondContact OG-N 3.19Å; K730-G732 VanDerWaalsContact C-N 3.32Å
733	T	83.4	Confident	90.2	Very high	29 Å²	29	27.2 Å²	27.2	18%	0.178	16%	0.16	C	C	.	.			trans	-84.1	143.2	174.9	56.5	0	0	0	0	110.3	H95 L728 S729 D731	H95-T733 HydrophobicContact CB-CG2 4.27Å; L728-T733 CarbonylContact C-O 2.89Å; L728-T733 VanDerWaalsContact CA-O 3.23Å; L728-T733 WeakPolarHBondContact CA-O 3.36Å; S729-T733 WeakPolarHBondContact CB-OG1 3.43Å; S729-T733 PolarHBondContact N-O 3.38Å; S729-T733 PolarHBondContact OG-N 3.4Å; S729-T733 PolarHBondContact OG-O 3.14Å; S729-T733 PolarHBondContact OG-OG1 2.88Å; D731-T733 PolarHBondContact OD1-OG1 3.29Å; D731-T733 WeakPolarHBondContact OD2-CG2 3.44Å
734	A	82.6	Confident	90.2	Very high	70 Å²	70	27.1 Å²	27.1	58%	0.579	16%	0.16	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	141.9	179.1	0	0	0	0	0	111	L728 P736	L728-A734 HydrophobicContact CD2-CB 4.32Å; A734-P736 WeakPolarHBondContact O-CD 3.29Å
735	I	81.9	Confident	90.2	Very high	33 Å²	33	29.7 Å²	29.7	17%	0.169	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	62.1	178.5	-41.7	175.7	0	0	0	110.6	P634 L727 S738	P634-I735 HydrophobicContact CB-CG2 4.41Å; P634-I735 HydrophobicContact CG-CD1 4.31Å; P634-I735 HydrophobicContact CG-CG2 4.04Å; L727-I735 HydrophobicContact CB-CD1 4.43Å; L727-I735 PolarHBondContact O-N 2.84Å; I735-S738 WeakPolarHBondContact CG2-OG 3.3Å; I735-S738 WeakPolarHBondContact O-CA 3.39Å; I735-S738 WeakPolarHBondContact O-CB 3.36Å; I735-S738 PolarHBondContact O-N 2.9Å; I735-S738 PolarHBondContact O-OG 3.42Å
736	P	73.9	Confident	90.2	Very high	79 Å²	79	32.2 Å²	32.2	51%	0.513	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	144	-179.9	28.9	-34.7	0	0	0	111.5	A734	A734-P736 WeakPolarHBondContact O-CD 3.29Å
737	P	74.5	Confident	90.2	Very high	32 Å²	32	32.1 Å²	32.1	21%	0.208	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-92.8	22.1	-2	37.7	-34.3	0	0	0	113.5	Q631 Q632 S739	Q631-P737 PolarHBondContact NE2-O 3.07Å; Q632-P737 HydrophobicContact CB-CG 4.02Å; Q632-P737 VanDerWaalsContact CD-CG 3.48Å; Q632-P737 HydrophobicContact CG-CG 4.11Å; P737-S739 PolarHBondContact O-N 3.05Å
738	S	87.9	Confident	89.8	Confident	6 Å²	6	38.6 Å²	38.6	4%	0.042	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	121	-173.2	-41.9	0	0	0	0	112.2	Q631 Q632 L727 I735	Q631-S738 VanDerWaalsContact O-CA 3.27Å; Q631-S738 WeakPolarHBondContact O-CA 3.48Å; Q632-S738 PolarHBondContact O-OG 3.43Å; L727-S738 PolarHBondContact N-O 3.06Å; I735-S738 WeakPolarHBondContact CG2-OG 3.3Å; I735-S738 WeakPolarHBondContact O-CA 3.39Å; I735-S738 WeakPolarHBondContact O-CB 3.36Å; I735-S738 PolarHBondContact O-N 2.9Å; I735-S738 PolarHBondContact O-OG 3.42Å
739	S	94.3	Very high	89.4	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	161.4	176.9	68.1	0	0	0	0	112.7	A630 Q631 H724 I725 P737	A630-S739 CarbonylContact C-O 3.56Å; A630-S739 WeakPolarHBondContact CA-O 3.2Å; A630-S739 VanDerWaalsContact CB-O 3.31Å; A630-S739 WeakPolarHBondContact CB-O 3.34Å; Q631-S739 VanDerWaalsContact CG-OG 3.27Å; Q631-S739 WeakPolarHBondContact CG-OG 3.35Å; Q631-S739 PolarHBondContact N-O 3.37Å; Q631-S739 PolarHBondContact NE2-OG 2.95Å; Q631-S739 PolarHBondContact O-N 3.31Å; H724-S739 PolarHBondContact ND1-OG 2.73Å; I725-S739 CarbonylContact O-C 3.54Å; I725-S739 WeakPolarHBondContact O-CA 3.29Å; I725-S739 VanDerWaalsContact O-CB 3.27Å; I725-S739 WeakPolarHBondContact O-CB 3.43Å; P737-S739 PolarHBondContact O-N 3.05Å
740	V	98.1	Very high	87.9	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.5	170.6	-174.4	0	0	0	0	108.4	V627 S629 A630 V648 V696 H724 I725 L727 V742	V627-V740 HydrophobicContact CG1-CG1 4.03Å; S629-V740 CarbonylContact O-C 3.59Å; S629-V740 WeakPolarHBondContact O-CA 3.19Å; S629-V740 WeakPolarHBondContact O-CG1 3.29Å; A630-V740 HydrophobicContact CB-CG2 4.12Å; V648-V740 HydrophobicContact CG2-CG1 4.24Å; V648-V740 HydrophobicContact CG2-CG2 4.43Å; V696-V740 HydrophobicContact CG2-CG2 3.68Å; H724-V740 CarbonylContact C-O 3.52Å; H724-V740 WeakPolarHBondContact CA-O 3.41Å; I725-V740 HydrophobicContact CB-CB 4.23Å; I725-V740 PolarHBondContact N-O 3.18Å; I725-V740 PolarHBondContact O-N 3.49Å; L727-V740 HydrophobicContact CD1-CG2 4.43Å; L727-V740 HydrophobicContact CD2-CG2 4.13Å; V740-V742 HydrophobicContact CG1-CG1 3.87Å
741	F	98.2	Very high	87.9	Confident	1 Å²	1	45.7 Å²	45.7	0%	0.004	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	124.9	174.5	-175	-127.3	0	0	0	109.6	E206 V207 L272 I628 S629 Y722 R723 H724	E206-F741 HydrophobicContact CG-CD1 4.05Å; E206-F741 HydrophobicContact CG-CE1 4.22Å; V207-F741 HydrophobicContact CG2-CD1 4.33Å; V207-F741 HydrophobicContact CG2-CE1 3.95Å; V207-F741 HydrophobicContact CG2-CZ 4.19Å; L272-F741 HydrophobicContact CD1-CE2 4.18Å; L272-F741 HydrophobicContact CD1-CZ 4.23Å; I628-F741 HydrophobicContact CB-CD1 3.98Å; I628-F741 WeakPolarHBondContact CB-O 3.13Å; I628-F741 HydrophobicContact CD1-CD1 3.87Å; I628-F741 HydrophobicContact CD1-CE1 3.78Å; I628-F741 HydrophobicContact CD1-CZ 4.5Å; I628-F741 HydrophobicContact CG2-CD1 3.94Å; I628-F741 HydrophobicContact CG2-CE1 4.38Å; I628-F741 PolarHBondContact N-O 2.86Å; S629-F741 PolarHBondContact N-O 3.24Å; S629-F741 PolarHBondContact O-N 3.07Å; Y722-F741 AromaticContact CD1-CE1 4Å; Y722-F741 HydrophobicContact CD1-CE1 4Å; Y722-F741 HydrophobicContact CD1-CE2 4.3Å; Y722-F741 AromaticContact CD1-CZ 3.57Å; Y722-F741 HydrophobicContact CD1-CZ 3.57Å; Y722-F741 AromaticContact CG-CZ 4Å; Y722-F741 HydrophobicContact CG-CZ 4Å; R723-F741 WeakPolarHBondContact O-CD2 3.47Å; H724-F741 AromaticContact CD2-CD2 3.54Å; H724-F741 AromaticContact NE2-CD2 3.36Å; H724-F741 WeakPolarHBondContact NE2-CD2 3.48Å; H724-F741 AromaticContact NE2-CE2 3.94Å; H724-F741 AromaticContact NE2-CG 3.99Å
742	V	98.6	Very high	88.2	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	156.3	-175	-60.5	0	0	0	0	111	I279 I625 Q626 Y722 R723 I725 V740 V744	I279-V742 HydrophobicContact CD1-CG2 4.42Å; I625-V742 HydrophobicContact CG2-CB 4.23Å; I625-V742 HydrophobicContact CG2-CG1 4.17Å; Q626-V742 CarbonylContact O-C 3.56Å; Q626-V742 WeakPolarHBondContact O-CA 3.36Å; Q626-V742 WeakPolarHBondContact O-CB 3.02Å; Y722-V742 CarbonylContact C-O 3.45Å; Y722-V742 VanDerWaalsContact CA-O 3.28Å; Y722-V742 WeakPolarHBondContact CA-O 3.34Å; R723-V742 HydrophobicContact CB-CG2 4.24Å; R723-V742 PolarHBondContact N-O 2.83Å; R723-V742 WeakPolarHBondContact O-CG2 3.43Å; R723-V742 PolarHBondContact O-N 3.32Å; I725-V742 HydrophobicContact CD1-CG1 3.78Å; I725-V742 HydrophobicContact CD1-CG2 3.94Å; I725-V742 HydrophobicContact CG1-CG1 4.42Å; I725-V742 HydrophobicContact CG1-CG2 4.06Å; V740-V742 HydrophobicContact CG1-CG1 3.87Å; V742-V744 HydrophobicContact CB-CG2 4.41Å; V742-V744 HydrophobicContact CG2-CG2 3.67Å
743	N	98.4	Very high	88.3	Confident	25 Å²	25	47.4 Å²	47.4	13%	0.134	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.5	159.3	-178.9	-79	0	0	0	108.9	Q626 I628 G721 Y722	Q626-N743 HydrophobicContact CB-CB 4.17Å; Q626-N743 PolarHBondContact N-O 2.61Å; Q626-N743 PolarHBondContact O-N 2.92Å; I628-N743 HydrophobicContact CD1-CB 4.07Å; G721-N743 CarbonylContact O-C 3.49Å; G721-N743 VanDerWaalsContact O-CA 3.31Å; G721-N743 WeakPolarHBondContact O-CA 3.44Å; Y722-N743 HydrophobicContact CD1-CB 3.87Å; Y722-N743 HydrophobicContact CE1-CB 3.84Å; Y722-N743 WeakPolarHBondContact CE2-ND2 3.29Å
744	V	98.4	Very high	88.6	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.012	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129.8	-174.5	-171.8	0	0	0	0	110.5	I279 L623 I625 I718 G721 V742	I279-V744 HydrophobicContact CD1-CG2 4.16Å; L623-V744 HydrophobicContact CD1-CG1 3.78Å; I625-V744 HydrophobicContact CG1-CG1 4.35Å; I718-V744 HydrophobicContact CG2-CG1 3.7Å; G721-V744 PolarHBondContact N-O 3.07Å; G721-V744 PolarHBondContact O-N 2.7Å; V742-V744 HydrophobicContact CB-CG2 4.41Å; V742-V744 HydrophobicContact CG2-CG2 3.67Å
745	S	97.5	Very high	89	Confident	56 Å²	56	47.1 Å²	47.1	39%	0.392	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	146.8	170.5	62.2	0	0	0	0	111.5	S624	S624-S745 WeakPolarHBondContact CB-OG 3.38Å; S624-S745 PolarHBondContact N-O 2.87Å; S624-S745 PolarHBondContact O-N 2.6Å
746	V	96.8	Very high	89.5	Confident	53 Å²	53	48.1 Å²	48.1	32%	0.321	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	132.6	176.4	178.3	0	0	0	0	108.4	A621 R622 L623 F715 L720	A621-V746 HydrophobicContact CB-CG1 4.04Å; R622-V746 WeakPolarHBondContact O-CA 3.27Å; L623-V746 HydrophobicContact CD1-CG2 3.82Å; F715-V746 HydrophobicContact CE1-CG1 4.42Å; F715-V746 HydrophobicContact CZ-CG1 3.83Å; F715-V746 HydrophobicContact CZ-CG2 4.06Å; L720-V746 HydrophobicContact CD2-CB 3.96Å; L720-V746 HydrophobicContact CD2-CG2 3.7Å
747	S	94.6	Very high	90.6	Very high	60 Å²	60	45.9 Å²	45.9	42%	0.42	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143.4	174.5	50.2	0	0	0	0	110.4	A621 R622	A621-S747 WeakPolarHBondContact CA-O 3.46Å; R622-S747 PolarHBondContact N-O 3.17Å; R622-S747 PolarHBondContact O-N 3.49Å
748	E	87.9	Confident	91.8	Very high	138 Å²	138	46.9 Å²	46.9	65%	0.645	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	134.3	172.3	-67.7	-168.4	159.1	0	0	109.6	K619 T750	K619-E748 IonicContact NZ-OE1 3.87Å; E748-T750 PolarHBondContact O-N 3.02Å
749	L	83.8	Confident	92.2	Very high	66 Å²	66	50.3 Å²	50.3	35%	0.346	29%	0.293	S	S	.	.			trans	-88.3	104.2	171.2	-76.9	163.8	0	0	0	107.9	P620 R622 V683	P620-L749 HydrophobicContact CB-CB 4.29Å; P620-L749 HydrophobicContact CB-CD1 4.26Å; P620-L749 HydrophobicContact CG-CB 3.95Å; P620-L749 PolarHBondContact O-N 2.94Å; R622-L749 HydrophobicContact CB-CD1 4.07Å; R622-L749 HydrophobicContact CB-CD2 4.18Å; R622-L749 HydrophobicContact CB-CG 3.95Å; V683-L749 HydrophobicContact CB-CD1 4.22Å; V683-L749 HydrophobicContact CG1-CD1 3.52Å; V683-L749 HydrophobicContact CG2-CD1 3.95Å
750	T	59.4	Low	92	Very high	203 Å²	203	54.9 Å²	54.9	100%	1.245	32%	0.32	S	S	*	.			trans	-76.2	0	177.5	52.8	0	0	0	0	113.4	E748	E748-T750 PolarHBondContact O-N 3.02Å

Retrieved 750 of 750 residues in 1829.8 ms (Link to these results)

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