A0A087XI84_POEFO Loading...

Serine protease 56

AlphaFold DB , UniProt , Accession A0A087XI84, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 576 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	P	44.2	Very low	38.4	Very low	180 Å²	180	156.9 Å²	156.9	100%	1.169	86%	0.86	S	S	*	*				0	59.8	0	29.3	-5.3	0	0	0	110.2
2	L	40	Very low	37.9	Very low	159 Å²	159	159.9 Å²	159.9	83%	0.832	86%	0.864	S	S	*	*			trans	-86	155.7	153.3	-81.2	103.5	0	0	0	106.4
3	F	40.1	Very low	37.6	Very low	199 Å²	199	157.2 Å²	157.2	87%	0.873	86%	0.862	S	S	*	*	S	Bend	trans	82.6	113.1	-170	-65.8	-91.2	0	0	0	113.6
4	I	42.6	Very low	37.5	Very low	163 Å²	163	157.2 Å²	157.2	84%	0.836	86%	0.859	S	S	*	*	S	Bend	trans	128.2	-12.7	170.3	-62.9	162.1	0	0	0	114.9
5	S	37.6	Very low	37.5	Very low	131 Å²	131	159.7 Å²	159.7	92%	0.916	86%	0.862	S	S	*	*	S	Bend	trans	-98.8	4.2	165.3	-77.7	0	0	0	0	114.7
6	L	36	Very low	37.2	Very low	167 Å²	167	154.4 Å²	154.4	87%	0.874	86%	0.857	S	S	*	*	S	Bend	trans	-109.2	18.9	-176.9	-137.6	97.6	0	0	0	114.3
7	L	39.5	Very low	37	Very low	151 Å²	151	150.1 Å²	150.1	79%	0.791	85%	0.846	S	S	*	*	S	Bend	trans	-132	32.9	-172.5	-134.5	133.7	0	0	0	115.5
8	L	33.7	Very low	37.1	Very low	161 Å²	161	149.1 Å²	149.1	84%	0.843	85%	0.846	S	S	*	*			trans	-156.1	60.8	156	-93.6	134	0	0	0	110.7	G10	L8-G10 PolarHBondContact O-N 3.48Å
9	M	37.5	Very low	37.7	Very low	204 Å²	204	148.5 Å²	148.5	100%	1.005	85%	0.847	S	S	*	*			trans	-77	96.6	140.4	-77.5	-156.9	-154.9	0	0	106.5
10	G	39.2	Very low	38.1	Very low	43 Å²	43	144.4 Å²	144.4	44%	0.443	84%	0.838	S	S	.	*	S	Bend	trans	156.9	110.2	175.2	0	0	0	0	0	112	L8	L8-G10 PolarHBondContact O-N 3.48Å
11	L	32	Very low	39	Very low	168 Å²	168	147.4 Å²	147.4	88%	0.88	84%	0.835	S	S	*	*			trans	75.7	87.9	179.1	-72.5	82.6	0	0	0	116.1
12	E	32.7	Very low	40.2	Very low	193 Å²	193	145.4 Å²	145.4	90%	0.902	81%	0.81	S	S	*	*				-164.9	76.4	109.3	-100.5	175.2	-174	0	0	108.8	L14	E12-L14 PolarHBondContact O-N 2.68Å
13	C	34	Very low	42.1	Very low	124 Å²	124	140.9 Å²	140.9	84%	0.838	80%	0.796	S	S	*	*			trans	-60.1	117	139.9	-78.8	0	0	0	0	106.5
14	L	35.8	Very low	44.4	Very low	158 Å²	158	135.9 Å²	135.9	83%	0.827	77%	0.772	S	S	*	*			trans	-175.1	133.8	142.3	-99.4	148.1	0	0	0	111	E12	E12-L14 PolarHBondContact O-N 2.68Å
15	Q	38.1	Very low	46.8	Very low	194 Å²	194	136 Å²	136	91%	0.907	76%	0.762	S	S	*	*	S	Bend	trans	91.4	86.7	165.9	-57.9	-177.6	0.2	0	0	118
16	G	32.8	Very low	49.2	Very low	75 Å²	75	130.4 Å²	130.4	77%	0.773	72%	0.721	S	S	*	*			trans	-179.9	69.4	160.4	0	0	0	0	0	109.8
17	A	33.7	Very low	51.7	Low	81 Å²	81	125.1 Å²	125.1	67%	0.669	70%	0.697	S	S	*	*			trans	-64.9	137.4	-178.8	0	0	0	0	0	112.2	T19	A17-T19 HydrophobicContact CB-CG2 4.28Å
18	P	38.4	Very low	54	Low	132 Å²	132	124.6 Å²	124.6	86%	0.857	69%	0.691	S	S	*	*			trans	-93.3	89.6	159.5	32.1	-23.7	0	0	0	108.6	G20	P18-G20 PolarHBondContact O-N 3.19Å
19	T	49	Very low	56.5	Low	139 Å²	139	121.1 Å²	121.1	85%	0.853	68%	0.68	S	S	*	*			trans	-95.7	90.8	172.2	49.8	0	0	0	0	110.6	A17	A17-T19 HydrophobicContact CB-CG2 4.28Å
20	G	44.7	Very low	58.7	Low	65 Å²	65	112 Å²	112	67%	0.67	64%	0.637	S	S	*	*			trans	-167.3	91.5	168.4	0	0	0	0	0	109.7	P18 E22	P18-G20 PolarHBondContact O-N 3.19Å; G20-E22 PolarHBondContact O-N 3.48Å
21	R	58.5	Low	61.1	Low	208 Å²	208	110.2 Å²	110.2	79%	0.785	62%	0.617	S	S	*	*			trans	-63.4	123.5	166.5	-75.8	-176.1	177.6	178.3	-1.9	107.9	A23	R21-A23 PolarHBondContact O-N 3.39Å
22	E	69.2	Low	63.7	Low	138 Å²	138	108 Å²	108	65%	0.645	60%	0.601	S	S	*	*			trans	-63.3	97.6	171.7	-73.4	-174.8	163.1	0	0	109.4	G20 L522	G20-E22 PolarHBondContact O-N 3.48Å; E22-L522 HydrophobicContact CB-CD1 4.37Å; E22-L522 PolarHBondContact O-N 3.12Å
23	A	78.8	Confident	66.2	Low	64 Å²	64	100.1 Å²	100.1	53%	0.529	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106	124.6	179.8	0	0	0	0	0	109.9	R21 V520	R21-A23 PolarHBondContact O-N 3.39Å; A23-V520 CarbonylContact C-O 3.55Å; A23-V520 WeakPolarHBondContact CA-O 3.21Å
24	Y	89.2	Confident	68.8	Low	95 Å²	95	94.2 Å²	94.2	37%	0.373	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	127.1	174	174.1	-97.3	0	0	0	110.5	M26 V520 L552	Y24-M26 HydrophobicContact CE1-CG 4.17Å; Y24-V520 HydrophobicContact CD1-CB 4.38Å; Y24-V520 HydrophobicContact CD1-CG2 4.29Å; Y24-V520 PolarHBondContact N-O 3.16Å; Y24-V520 PolarHBondContact O-N 3.38Å; Y24-L552 HydrophobicContact CD1-CD2 3.51Å; Y24-L552 HydrophobicContact CE1-CD2 3.66Å; Y24-L552 HydrophobicContact CG-CD2 4.44Å
25	R	91.6	Very high	71.4	Confident	165 Å²	165	87.2 Å²	87.2	62%	0.623	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	125.1	174.1	-174.7	-178.1	-91.7	173.3	-3.9	109.7	E517 L519	R25-E517 IonicContact CZ-OE1 3.29Å; R25-E517 VanDerWaalsContact CZ-OE1 3.29Å; R25-E517 IonicContact NE-OE1 3.16Å; R25-E517 PolarHBondContact NE-OE1 3.4Å; R25-E517 VanDerWaalsContact NE-OE1 3.16Å; R25-E517 IonicContact NH2-OE1 2.88Å; R25-E517 PolarHBondContact NH2-OE1 3.48Å; R25-L519 HydrophobicContact CB-CD2 3.99Å; R25-L519 HydrophobicContact CG-CD2 4.17Å
26	M	89.4	Confident	73.7	Confident	13 Å²	13	81.4 Å²	81.4	6%	0.064	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-63.3	146.2	178.8	-80.4	-102.2	-106.8	0	0	113.4	Y24 A30 L31 V518 V520 V550 F557	Y24-M26 HydrophobicContact CE1-CG 4.17Å; M26-A30 HydrophobicContact CE-CB 4.41Å; M26-A30 HydrophobicContact SD-CB 4.09Å; M26-L31 HydrophobicContact CB-CD2 4.36Å; M26-V518 HydrophobicContact CB-CB 4.03Å; M26-V518 HydrophobicContact CE-CG1 4.23Å; M26-V518 HydrophobicContact CG-CB 3.91Å; M26-V518 HydrophobicContact CG-CG1 3.86Å; M26-V518 PolarHBondContact N-O 3.48Å; M26-V518 VanDerWaalsContact N-O 3.12Å; M26-V520 HydrophobicContact CG-CG2 4.39Å; M26-V550 HydrophobicContact CE-CG1 3.63Å; M26-F557 HydrophobicContact CE-CD2 3.45Å; M26-F557 VanDerWaalsContact CE-CD2 3.45Å; M26-F557 HydrophobicContact CE-CE2 3.13Å; M26-F557 HydrophobicContact CE-CZ 3.98Å; M26-F557 HydrophobicContact SD-CE2 4.47Å
27	P	88.5	Confident	76.3	Confident	57 Å²	57	83.8 Å²	83.8	37%	0.37	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-70.3	153.5	178.5	29.9	-34.6	0	0	0	111.6	S29 A30 L31	P27-S29 PolarHBondContact O-N 3.16Å; P27-A30 HydrophobicContact CG-CB 3.96Å; P27-A30 PolarHBondContact O-N 3.49Å; P27-A30 VanDerWaalsContact O-N 3.08Å; P27-L31 PolarHBondContact O-N 3.49Å
28	Q	88.4	Confident	78.8	Confident	139 Å²	139	79.9 Å²	79.9	65%	0.65	42%	0.422	S	S	*	.	H	α-helix	trans	-59.9	-31.7	-179.1	-74.5	-62.8	-25.2	0	0	113.4	A30 L31 K32	Q28-A30 VanDerWaalsContact C-N 3.35Å; Q28-A30 PolarHBondContact O-N 2.9Å; Q28-L31 PolarHBondContact O-N 3.37Å; Q28-K32 WeakPolarHBondContact O-CB 3.33Å; Q28-K32 PolarHBondContact O-N 3.47Å
29	S	84.4	Confident	81.1	Confident	89 Å²	89	74.9 Å²	74.9	62%	0.622	39%	0.389	S	S	*	.	H	α-helix	trans	-61.7	-40.8	175.1	52.2	0	0	0	0	112.6	P27 K32 A33	P27-S29 PolarHBondContact O-N 3.16Å; S29-K32 PolarHBondContact O-N 3.2Å; S29-A33 PolarHBondContact O-N 3.47Å
30	A	85.5	Confident	82.9	Confident	13 Å²	13	72.6 Å²	72.6	11%	0.107	38%	0.375	C	S	.	.	H	α-helix	trans	-70.5	-40.2	177.4	0	0	0	0	0	111.7	M26 P27 Q28 K32 A33 L34 F557	M26-A30 HydrophobicContact CE-CB 4.41Å; M26-A30 HydrophobicContact SD-CB 4.09Å; P27-A30 HydrophobicContact CG-CB 3.96Å; P27-A30 PolarHBondContact O-N 3.49Å; P27-A30 VanDerWaalsContact O-N 3.08Å; Q28-A30 VanDerWaalsContact C-N 3.35Å; Q28-A30 PolarHBondContact O-N 2.9Å; A30-K32 VanDerWaalsContact C-N 3.32Å; A30-K32 PolarHBondContact O-N 3.08Å; A30-A33 PolarHBondContact O-N 2.72Å; A30-L34 VanDerWaalsContact O-CB 3.31Å; A30-L34 WeakPolarHBondContact O-CB 3.36Å; A30-L34 PolarHBondContact O-N 2.87Å; A30-F557 HydrophobicContact CB-CE1 4.14Å; A30-F557 HydrophobicContact CB-CZ 4Å
31	L	88.8	Confident	84.9	Confident	4 Å²	4	72.4 Å²	72.4	2%	0.021	36%	0.36	C	S	.	.	H	α-helix	trans	-62.7	-39.7	174.5	-64.7	177.4	0	0	0	111.7	M26 P27 Q28 L34 S35 F515 V518	M26-L31 HydrophobicContact CB-CD2 4.36Å; P27-L31 PolarHBondContact O-N 3.49Å; Q28-L31 PolarHBondContact O-N 3.37Å; L31-L34 PolarHBondContact O-N 2.72Å; L31-S35 WeakPolarHBondContact O-CB 3.38Å; L31-S35 PolarHBondContact O-N 2.56Å; L31-S35 PolarHBondContact O-OG 3.23Å; L31-F515 HydrophobicContact CD2-CB 4.2Å; L31-V518 HydrophobicContact CD2-CB 4.04Å; L31-V518 HydrophobicContact CD2-CG2 3.51Å
32	K	87.4	Confident	86.1	Confident	121 Å²	121	62.5 Å²	62.5	53%	0.526	32%	0.323	S	S	.	.	H	α-helix	trans	-65.5	-48.5	176.3	-176.1	54	175.8	157.7	0	111.7	Q28 S29 A30 L34 S35 D36	Q28-K32 WeakPolarHBondContact O-CB 3.33Å; Q28-K32 PolarHBondContact O-N 3.47Å; S29-K32 PolarHBondContact O-N 3.2Å; A30-K32 VanDerWaalsContact C-N 3.32Å; A30-K32 PolarHBondContact O-N 3.08Å; K32-L34 VanDerWaalsContact C-N 3.29Å; K32-L34 PolarHBondContact O-N 2.87Å; K32-S35 WeakPolarHBondContact O-CB 3.4Å; K32-S35 PolarHBondContact O-N 2.92Å; K32-S35 VanDerWaalsContact O-N 3.11Å; K32-D36 VanDerWaalsContact CE-OD1 3.27Å; K32-D36 WeakPolarHBondContact CE-OD1 3.48Å; K32-D36 WeakPolarHBondContact CE-OD2 3.12Å; K32-D36 IonicContact NZ-OD1 2.72Å; K32-D36 PolarHBondContact NZ-OD1 3.5Å; K32-D36 IonicContact NZ-OD2 3.78Å; K32-D36 VanDerWaalsContact O-CG 3.27Å; K32-D36 PolarHBondContact O-N 3.33Å
33	A	84.8	Confident	86.8	Confident	29 Å²	29	60.2 Å²	60.2	24%	0.24	31%	0.312	C	S	.	.	H	α-helix	trans	-59.5	-38.9	176.6	0	0	0	0	0	112.8	S29 A30 R37	S29-A33 PolarHBondContact O-N 3.47Å; A30-A33 PolarHBondContact O-N 2.72Å; A33-R37 WeakPolarHBondContact O-CG 3.35Å; A33-R37 PolarHBondContact O-N 2.89Å; A33-R37 VanDerWaalsContact O-N 3.17Å
34	L	88.3	Confident	86.9	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-67.3	-39.7	175.4	-177.3	61.4	0	0	0	112	A30 L31 K32 G38 F515 V518 F557 V561 I564 I565	A30-L34 VanDerWaalsContact O-CB 3.31Å; A30-L34 WeakPolarHBondContact O-CB 3.36Å; A30-L34 PolarHBondContact O-N 2.87Å; L31-L34 PolarHBondContact O-N 2.72Å; K32-L34 VanDerWaalsContact C-N 3.29Å; K32-L34 PolarHBondContact O-N 2.87Å; L34-G38 PolarHBondContact O-N 3.33Å; L34-F515 HydrophobicContact CB-CD2 4.22Å; L34-F515 HydrophobicContact CB-CG 4.42Å; L34-F515 HydrophobicContact CD1-CE2 4.29Å; L34-F515 HydrophobicContact CD1-CZ 4.2Å; L34-F515 HydrophobicContact CD2-CB 4.11Å; L34-F515 HydrophobicContact CD2-CD1 3.38Å; L34-F515 HydrophobicContact CD2-CD2 3.97Å; L34-F515 HydrophobicContact CD2-CE1 3.66Å; L34-F515 HydrophobicContact CD2-CE2 4.22Å; L34-F515 HydrophobicContact CD2-CG 3.54Å; L34-F515 HydrophobicContact CD2-CZ 4.07Å; L34-F515 HydrophobicContact CG-CB 4.47Å; L34-F515 HydrophobicContact CG-CD1 3.92Å; L34-F515 HydrophobicContact CG-CD2 3.59Å; L34-F515 HydrophobicContact CG-CE1 3.96Å; L34-F515 HydrophobicContact CG-CE2 3.65Å; L34-F515 HydrophobicContact CG-CG 3.72Å; L34-F515 HydrophobicContact CG-CZ 3.83Å; L34-V518 HydrophobicContact CD2-CG2 4.46Å; L34-F557 HydrophobicContact CB-CZ 4.44Å; L34-V561 HydrophobicContact CD1-CB 4.33Å; L34-V561 HydrophobicContact CD1-CG1 3.85Å; L34-V561 HydrophobicContact CD1-CG2 4.1Å; L34-I564 HydrophobicContact CD1-CB 4.31Å; L34-I564 HydrophobicContact CD1-CD1 4.48Å; L34-I564 HydrophobicContact CD1-CG2 4.04Å; L34-I564 HydrophobicContact CD2-CG2 3.98Å; L34-I565 HydrophobicContact CD1-CG1 4.24Å
35	S	90.9	Very high	86.6	Confident	11 Å²	11	56.7 Å²	56.7	8%	0.077	30%	0.303	C	S	.	.	H	α-helix	trans	-65.3	-45	176.4	-59.6	0	0	0	0	112.5	L31 K32 G38 T39 M513 F515	L31-S35 WeakPolarHBondContact O-CB 3.38Å; L31-S35 PolarHBondContact O-N 2.56Å; L31-S35 PolarHBondContact O-OG 3.23Å; K32-S35 WeakPolarHBondContact O-CB 3.4Å; K32-S35 PolarHBondContact O-N 2.92Å; K32-S35 VanDerWaalsContact O-N 3.11Å; S35-G38 PolarHBondContact O-N 2.57Å; S35-T39 WeakPolarHBondContact O-CB 3.45Å; S35-T39 PolarHBondContact O-N 3.07Å; S35-T39 PolarHBondContact O-OG1 2.69Å; S35-M513 CarbonylContact C-O 3.6Å; S35-M513 WeakPolarHBondContact CA-O 3.07Å; S35-M513 WeakPolarHBondContact CB-O 3.44Å; S35-F515 PolarHBondContact OG-N 3.42Å
36	D	86.1	Confident	86.3	Confident	72 Å²	72	49.4 Å²	49.4	39%	0.385	28%	0.276	S	S	.	.	H	α-helix	trans	-64.9	-44.9	179.8	-64.3	-20.9	0	0	0	110.6	K32 T39 V40	K32-D36 VanDerWaalsContact CE-OD1 3.27Å; K32-D36 WeakPolarHBondContact CE-OD1 3.48Å; K32-D36 WeakPolarHBondContact CE-OD2 3.12Å; K32-D36 IonicContact NZ-OD1 2.72Å; K32-D36 PolarHBondContact NZ-OD1 3.5Å; K32-D36 IonicContact NZ-OD2 3.78Å; K32-D36 VanDerWaalsContact O-CG 3.27Å; K32-D36 PolarHBondContact O-N 3.33Å; D36-T39 PolarHBondContact O-N 3.44Å; D36-V40 WeakPolarHBondContact O-CG2 3.42Å; D36-V40 PolarHBondContact O-N 3.03Å
37	R	86.4	Confident	85.9	Confident	124 Å²	124	52.9 Å²	52.9	47%	0.468	30%	0.298	S	S	.	.	H	α-helix	trans	-65.3	-41.3	175.1	-72.7	-175.8	177.1	-148.8	3.1	112.8	A33 T39 V40 V41 V561 I565	A33-R37 WeakPolarHBondContact O-CG 3.35Å; A33-R37 PolarHBondContact O-N 2.89Å; A33-R37 VanDerWaalsContact O-N 3.17Å; R37-T39 VanDerWaalsContact C-N 3.31Å; R37-T39 PolarHBondContact O-N 3.48Å; R37-V40 PolarHBondContact O-N 3.48Å; R37-V41 WeakPolarHBondContact O-CG2 3.49Å; R37-V41 PolarHBondContact O-N 2.66Å; R37-V561 HydrophobicContact CB-CG1 4.38Å; R37-I565 HydrophobicContact CB-CD1 4.06Å
38	G	86.1	Confident	85.5	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.8	-39.8	176.8	0	0	0	0	0	112.4	L34 S35 V41 L42 M513	L34-G38 PolarHBondContact O-N 3.33Å; S35-G38 PolarHBondContact O-N 2.57Å; G38-V41 PolarHBondContact O-N 3.48Å; G38-L42 PolarHBondContact O-N 3.11Å; G38-M513 WeakPolarHBondContact O-CE 3.27Å; G38-M513 WeakPolarHBondContact O-CG 3.47Å
39	T	87.6	Confident	85.1	Confident	26 Å²	26	46.4 Å²	46.4	16%	0.16	27%	0.27	C	S	.	.	H	α-helix	trans	-63	-46.3	178.5	-60.5	0	0	0	0	111.6	S35 D36 R37 V41 L42 E43 Q512 M513	S35-T39 WeakPolarHBondContact O-CB 3.45Å; S35-T39 PolarHBondContact O-N 3.07Å; S35-T39 PolarHBondContact O-OG1 2.69Å; D36-T39 PolarHBondContact O-N 3.44Å; R37-T39 VanDerWaalsContact C-N 3.31Å; R37-T39 PolarHBondContact O-N 3.48Å; T39-V41 VanDerWaalsContact C-N 3.29Å; T39-V41 PolarHBondContact O-N 3.29Å; T39-L42 WeakPolarHBondContact O-CB 3.15Å; T39-L42 PolarHBondContact O-N 3.46Å; T39-L42 VanDerWaalsContact O-N 3.09Å; T39-E43 HydrophobicContact CG2-CG 4.46Å; T39-E43 WeakPolarHBondContact O-CG 3.41Å; T39-E43 PolarHBondContact O-N 3.43Å; T39-Q512 HydrophobicContact CG2-CB 4.2Å; T39-M513 PolarHBondContact OG1-N 2.93Å; T39-M513 PolarHBondContact OG1-O 3.2Å
40	V	85.8	Confident	84.7	Confident	92 Å²	92	46 Å²	46	56%	0.558	26%	0.26	S	S	*	.	H	α-helix	trans	-58.4	-41.1	176.3	173.9	0	0	0	0	112	D36 R37 E43 A44	D36-V40 WeakPolarHBondContact O-CG2 3.42Å; D36-V40 PolarHBondContact O-N 3.03Å; R37-V40 PolarHBondContact O-N 3.48Å; V40-E43 PolarHBondContact O-N 3.1Å; V40-A44 WeakPolarHBondContact O-CB 3.33Å; V40-A44 PolarHBondContact O-N 3.12Å
41	V	86.4	Confident	84.3	Confident	60 Å²	60	47.7 Å²	47.7	36%	0.364	27%	0.271	S	S	.	.	H	α-helix	trans	-66.4	-39.1	177.6	176.8	0	0	0	0	111.2	R37 G38 T39 A44 A45 I565 L569	R37-V41 WeakPolarHBondContact O-CG2 3.49Å; R37-V41 PolarHBondContact O-N 2.66Å; G38-V41 PolarHBondContact O-N 3.48Å; T39-V41 VanDerWaalsContact C-N 3.29Å; T39-V41 PolarHBondContact O-N 3.29Å; V41-A44 PolarHBondContact O-N 2.89Å; V41-A45 WeakPolarHBondContact O-CB 3.23Å; V41-A45 PolarHBondContact O-N 3.48Å; V41-I565 HydrophobicContact CB-CG2 4.05Å; V41-I565 HydrophobicContact CG1-CG2 3.97Å; V41-I565 HydrophobicContact CG2-CG2 4.27Å; V41-L569 HydrophobicContact CG1-CD1 3.87Å
42	L	85.1	Confident	83.7	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-65.9	-41.8	177.3	-170.7	61.5	0	0	0	111.9	G38 T39 A45 M46 I503 I506 L511 M513 V539 A540 L569 L572	G38-L42 PolarHBondContact O-N 3.11Å; T39-L42 WeakPolarHBondContact O-CB 3.15Å; T39-L42 PolarHBondContact O-N 3.46Å; T39-L42 VanDerWaalsContact O-N 3.09Å; L42-A45 PolarHBondContact O-N 3.26Å; L42-M46 PolarHBondContact O-N 3.21Å; L42-I503 HydrophobicContact CD1-CD1 4.08Å; L42-I506 HydrophobicContact CD1-CD1 4.48Å; L42-L511 HydrophobicContact CD2-CD1 4.2Å; L42-L511 HydrophobicContact CG-CD1 3.83Å; L42-L511 HydrophobicContact CG-CG 4.44Å; L42-M513 HydrophobicContact CB-CE 3.83Å; L42-M513 HydrophobicContact CB-CG 4.33Å; L42-M513 HydrophobicContact CD1-CE 4.19Å; L42-M513 HydrophobicContact CD2-CE 4.47Å; L42-M513 HydrophobicContact CD2-CG 4.13Å; L42-M513 HydrophobicContact CG-CE 4.38Å; L42-V539 HydrophobicContact CD2-CG1 4.43Å; L42-A540 HydrophobicContact CD2-CB 4.49Å; L42-L569 HydrophobicContact CD1-CD2 3.91Å; L42-L572 HydrophobicContact CD1-CD2 4.46Å
43	E	84.1	Confident	83.1	Confident	90 Å²	90	44 Å²	44	42%	0.421	26%	0.259	S	S	.	.	H	α-helix	trans	-64.2	-43.2	175.1	-70.9	176.6	167	0	0	112.2	T39 V40 A45 M46 T47 L511	T39-E43 HydrophobicContact CG2-CG 4.46Å; T39-E43 WeakPolarHBondContact O-CG 3.41Å; T39-E43 PolarHBondContact O-N 3.43Å; V40-E43 PolarHBondContact O-N 3.1Å; E43-A45 VanDerWaalsContact C-N 3.33Å; E43-A45 PolarHBondContact O-N 3.3Å; E43-M46 PolarHBondContact O-N 2.91Å; E43-T47 PolarHBondContact O-N 3.06Å; E43-T47 PolarHBondContact O-OG1 2.98Å; E43-L511 HydrophobicContact CB-CD2 4.44Å; E43-L511 HydrophobicContact CG-CD2 3.86Å; E43-L511 HydrophobicContact CG-CG 4.13Å
44	A	80.4	Confident	82.7	Confident	59 Å²	59	48.5 Å²	48.5	49%	0.488	28%	0.275	S	S	.	.	H	α-helix	trans	-62.4	-40.9	175.7	0	0	0	0	0	111.7	V40 V41 T47 S48	V40-A44 WeakPolarHBondContact O-CB 3.33Å; V40-A44 PolarHBondContact O-N 3.12Å; V41-A44 PolarHBondContact O-N 2.89Å; A44-T47 PolarHBondContact O-N 3.03Å; A44-S48 WeakPolarHBondContact O-CB 3.29Å; A44-S48 PolarHBondContact O-N 2.79Å
45	A	82.7	Confident	82	Confident	27 Å²	27	56.2 Å²	56.2	22%	0.223	30%	0.304	C	S	.	.	H	α-helix	trans	-64.6	-39.1	176.4	0	0	0	0	0	112.1	V41 L42 E43 A49 W502 I503	V41-A45 WeakPolarHBondContact O-CB 3.23Å; V41-A45 PolarHBondContact O-N 3.48Å; L42-A45 PolarHBondContact O-N 3.26Å; E43-A45 VanDerWaalsContact C-N 3.33Å; E43-A45 PolarHBondContact O-N 3.3Å; A45-A49 WeakPolarHBondContact O-CB 3.05Å; A45-A49 PolarHBondContact O-N 2.81Å; A45-W502 HydrophobicContact CB-CH2 4.39Å; A45-I503 VanDerWaalsContact C-CD1 3.46Å; A45-I503 HydrophobicContact CB-CD1 3.39Å
46	M	85.1	Confident	81	Confident	12 Å²	12	55.8 Å²	55.8	6%	0.059	30%	0.301	C	S	.	.	H	α-helix	trans	-64.4	-46.2	174.7	176.9	65.1	82.5	0	0	111.3	L42 E43 S48 A49 L50 I503 L504 I506 L511	L42-M46 PolarHBondContact O-N 3.21Å; E43-M46 PolarHBondContact O-N 2.91Å; M46-S48 VanDerWaalsContact C-N 3.33Å; M46-S48 PolarHBondContact O-N 2.87Å; M46-A49 WeakPolarHBondContact O-CB 3.25Å; M46-A49 PolarHBondContact O-N 3.43Å; M46-L50 HydrophobicContact CG-CD1 4.11Å; M46-L50 PolarHBondContact O-N 3.2Å; M46-L50 HydrophobicContact SD-CD1 4.3Å; M46-L50 HydrophobicContact SD-CG 4.4Å; M46-I503 HydrophobicContact CB-CD1 4.11Å; M46-I503 HydrophobicContact CB-CG1 4.08Å; M46-I503 HydrophobicContact CE-CG1 3.97Å; M46-I503 WeakPolarHBondContact CE-O 3.34Å; M46-I503 VanDerWaalsContact N-CD1 3.28Å; M46-I503 HydrophobicContact SD-CG1 4.19Å; M46-L504 HydrophobicContact SD-CD2 4.31Å; M46-I506 HydrophobicContact CE-CB 4.15Å; M46-L511 HydrophobicContact CB-CD1 4.01Å; M46-L511 HydrophobicContact CB-CD2 4.17Å; M46-L511 HydrophobicContact CE-CD1 3.86Å; M46-L511 HydrophobicContact CG-CD1 4.37Å; M46-L511 HydrophobicContact CG-CD2 4.22Å
47	T	80.4	Confident	80.4	Confident	85 Å²	85	55.2 Å²	55.2	52%	0.521	30%	0.302	S	S	.	.	H	α-helix	trans	-60.6	-45.1	178.4	-52.6	0	0	0	0	110.7	E43 A44 A49 L50 S51	E43-T47 PolarHBondContact O-N 3.06Å; E43-T47 PolarHBondContact O-OG1 2.98Å; A44-T47 PolarHBondContact O-N 3.03Å; T47-A49 VanDerWaalsContact C-N 3.31Å; T47-A49 PolarHBondContact O-N 3.41Å; T47-L50 PolarHBondContact O-N 3.21Å; T47-S51 PolarHBondContact O-N 3.18Å; T47-S51 PolarHBondContact O-OG 2.62Å; T47-S51 VanDerWaalsContact O-OG 3.1Å
48	S	81.1	Confident	79.5	Confident	61 Å²	61	51.6 Å²	51.6	43%	0.427	30%	0.299	S	S	.	.	H	α-helix	trans	-60.1	-39.2	175.8	-175.1	0	0	0	0	112.7	A44 M46 A52	A44-S48 WeakPolarHBondContact O-CB 3.29Å; A44-S48 PolarHBondContact O-N 2.79Å; M46-S48 VanDerWaalsContact C-N 3.33Å; M46-S48 PolarHBondContact O-N 2.87Å; S48-A52 WeakPolarHBondContact O-CB 3.31Å; S48-A52 PolarHBondContact O-N 2.63Å
49	A	79.8	Confident	78.8	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-66.1	-45.1	177.2	0	0	0	0	0	112	A45 M46 T47 A52 L53 Y500 I503 L504	A45-A49 WeakPolarHBondContact O-CB 3.05Å; A45-A49 PolarHBondContact O-N 2.81Å; M46-A49 WeakPolarHBondContact O-CB 3.25Å; M46-A49 PolarHBondContact O-N 3.43Å; T47-A49 VanDerWaalsContact C-N 3.31Å; T47-A49 PolarHBondContact O-N 3.41Å; A49-A52 PolarHBondContact O-N 3.13Å; A49-L53 PolarHBondContact O-N 2.98Å; A49-Y500 HydrophobicContact CB-CD1 3.41Å; A49-Y500 VanDerWaalsContact CB-CD1 3.41Å; A49-Y500 HydrophobicContact CB-CD2 4.44Å; A49-Y500 HydrophobicContact CB-CE1 4.03Å; A49-Y500 HydrophobicContact CB-CG 3.65Å; A49-I503 HydrophobicContact CB-CG2 3.66Å; A49-L504 HydrophobicContact CB-CD2 3.82Å; A49-L504 HydrophobicContact CB-CG 4.17Å
50	L	77.1	Confident	78.1	Confident	79 Å²	79	58.9 Å²	58.9	41%	0.414	33%	0.328	S	S	.	.	H	α-helix	trans	-63.1	-46.7	177.6	-71.3	167.4	0	0	0	111.3	M46 T47 A52 L53 E54 L504	M46-L50 HydrophobicContact CG-CD1 4.11Å; M46-L50 PolarHBondContact O-N 3.2Å; M46-L50 HydrophobicContact SD-CD1 4.3Å; M46-L50 HydrophobicContact SD-CG 4.4Å; T47-L50 PolarHBondContact O-N 3.21Å; L50-A52 VanDerWaalsContact C-N 3.29Å; L50-A52 PolarHBondContact O-N 3.43Å; L50-L53 PolarHBondContact O-N 3.1Å; L50-L53 VanDerWaalsContact O-N 3.13Å; L50-E54 WeakPolarHBondContact O-CG 3.35Å; L50-E54 PolarHBondContact O-N 2.99Å; L50-L504 HydrophobicContact CD2-CD2 3.9Å; L50-L504 HydrophobicContact CG-CD2 4.21Å
51	S	76	Confident	77	Confident	49 Å²	49	56.2 Å²	56.2	34%	0.343	32%	0.319	S	S	.	.	H	α-helix	trans	-65.6	-29.3	177.8	-55.9	0	0	0	0	113.4	T47 R55	T47-S51 PolarHBondContact O-N 3.18Å; T47-S51 PolarHBondContact O-OG 2.62Å; T47-S51 VanDerWaalsContact O-OG 3.1Å; S51-R55 WeakPolarHBondContact O-CG 3.35Å; S51-R55 PolarHBondContact O-N 3.17Å; S51-R55 PolarHBondContact O-NE 3.27Å; S51-R55 VanDerWaalsContact O-NE 3.1Å
52	A	76.6	Confident	76	Confident	11 Å²	11	58.9 Å²	58.9	9%	0.091	33%	0.327	C	S	.	.	H	α-helix	trans	-69.9	-40.9	172.3	0	0	0	0	0	111.6	S48 A49 L50 A56 I496 Y500	S48-A52 WeakPolarHBondContact O-CB 3.31Å; S48-A52 PolarHBondContact O-N 2.63Å; A49-A52 PolarHBondContact O-N 3.13Å; L50-A52 VanDerWaalsContact C-N 3.29Å; L50-A52 PolarHBondContact O-N 3.43Å; A52-A56 PolarHBondContact O-N 2.8Å; A52-I496 HydrophobicContact CB-CG2 4.1Å; A52-Y500 HydrophobicContact CB-CD2 4.5Å; A52-Y500 HydrophobicContact CB-CE2 3.85Å
53	L	74.4	Confident	74.7	Confident	37 Å²	37	61 Å²	61	19%	0.194	34%	0.34	C	S	.	.	H	α-helix	trans	-68.5	-42.5	178	-175.4	61.9	0	0	0	112.1	A49 L50 A56 S57 V493 Q497 L504	A49-L53 PolarHBondContact O-N 2.98Å; L50-L53 PolarHBondContact O-N 3.1Å; L50-L53 VanDerWaalsContact O-N 3.13Å; L53-A56 PolarHBondContact O-N 3.31Å; L53-S57 VanDerWaalsContact O-CB 3.29Å; L53-S57 WeakPolarHBondContact O-CB 3.47Å; L53-S57 PolarHBondContact O-N 2.78Å; L53-S57 PolarHBondContact O-OG 2.9Å; L53-V493 HydrophobicContact CD1-CG1 4.13Å; L53-Q497 HydrophobicContact CD1-CG 3.42Å; L53-Q497 VanDerWaalsContact CD1-CG 3.42Å; L53-Q497 HydrophobicContact CD2-CG 4.45Å; L53-L504 HydrophobicContact CD2-CD1 4.39Å
54	E	76.1	Confident	73.4	Confident	124 Å²	124	60 Å²	60	58%	0.579	34%	0.336	S	S	*	.	H	α-helix	trans	-58.8	-48.5	176.9	-78.1	176.3	171.3	0	0	111.3	L50 A56 S57 A58	L50-E54 WeakPolarHBondContact O-CG 3.35Å; L50-E54 PolarHBondContact O-N 2.99Å; E54-A56 PolarHBondContact O-N 3.42Å; E54-S57 WeakPolarHBondContact CA-OG 3.46Å; E54-S57 PolarHBondContact O-N 3.28Å; E54-S57 PolarHBondContact O-OG 3.15Å; E54-A58 WeakPolarHBondContact O-CB 3.39Å; E54-A58 PolarHBondContact O-N 2.86Å
55	R	73.6	Confident	72.2	Confident	161 Å²	161	60.5 Å²	60.5	61%	0.608	34%	0.339	S	S	*	.	H	α-helix	trans	-57.2	-49.7	176.4	-76.1	-177.3	-72.3	161.5	-4.2	112.4	S51 S57 A58 E59	S51-R55 WeakPolarHBondContact O-CG 3.35Å; S51-R55 PolarHBondContact O-N 3.17Å; S51-R55 PolarHBondContact O-NE 3.27Å; S51-R55 VanDerWaalsContact O-NE 3.1Å; R55-S57 VanDerWaalsContact C-N 3.31Å; R55-S57 PolarHBondContact O-N 3.38Å; R55-A58 PolarHBondContact O-N 2.81Å; R55-E59 WeakPolarHBondContact O-CG 3.48Å; R55-E59 PolarHBondContact O-N 3.49Å
56	A	70.7	Confident	70.7	Confident	2 Å²	2	62.1 Å²	62.1	2%	0.017	36%	0.359	C	S	.	.	H	α-helix	trans	-65.2	-35.9	179	0	0	0	0	0	112.6	A52 L53 E54 R60 V493 I496	A52-A56 PolarHBondContact O-N 2.8Å; L53-A56 PolarHBondContact O-N 3.31Å; E54-A56 PolarHBondContact O-N 3.42Å; A56-R60 PolarHBondContact O-N 3.24Å; A56-R60 VanDerWaalsContact O-N 3.1Å; A56-V493 HydrophobicContact CB-CG2 3.85Å; A56-V493 VanDerWaalsContact O-CG2 3.25Å; A56-V493 WeakPolarHBondContact O-CG2 3.35Å; A56-I496 HydrophobicContact CB-CD1 3.45Å; A56-I496 VanDerWaalsContact CB-CD1 3.45Å
57	S	73.5	Confident	69.1	Low	60 Å²	60	63.8 Å²	63.8	42%	0.42	37%	0.371	S	S	.	.	H	α-helix	trans	-69.8	-34.6	176.1	75.4	0	0	0	0	112.4	L53 E54 R55 R60 G61	L53-S57 VanDerWaalsContact O-CB 3.29Å; L53-S57 WeakPolarHBondContact O-CB 3.47Å; L53-S57 PolarHBondContact O-N 2.78Å; L53-S57 PolarHBondContact O-OG 2.9Å; E54-S57 WeakPolarHBondContact CA-OG 3.46Å; E54-S57 PolarHBondContact O-N 3.28Å; E54-S57 PolarHBondContact O-OG 3.15Å; R55-S57 VanDerWaalsContact C-N 3.31Å; R55-S57 PolarHBondContact O-N 3.38Å; S57-R60 PolarHBondContact O-N 2.93Å; S57-G61 PolarHBondContact O-N 3.36Å
58	A	67.1	Low	67.5	Low	49 Å²	49	69.2 Å²	69.2	41%	0.405	38%	0.382	S	S	.	.	H	α-helix	trans	-68.4	-45	175.2	0	0	0	0	0	111.3	E54 R55 R60 G61 Q62	E54-A58 WeakPolarHBondContact O-CB 3.39Å; E54-A58 PolarHBondContact O-N 2.86Å; R55-A58 PolarHBondContact O-N 2.81Å; A58-R60 VanDerWaalsContact C-N 3.32Å; A58-R60 PolarHBondContact O-N 2.82Å; A58-G61 PolarHBondContact O-N 2.84Å; A58-G61 VanDerWaalsContact O-N 3.13Å; A58-Q62 VanDerWaalsContact O-CG 3.28Å; A58-Q62 WeakPolarHBondContact O-CG 3.42Å; A58-Q62 PolarHBondContact O-N 3.44Å
59	E	70.6	Confident	65.6	Low	85 Å²	85	69.7 Å²	69.7	40%	0.397	40%	0.397	S	S	.	.	H	α-helix	trans	-56.8	-43.9	173.2	-73.5	171.9	-173.7	0	0	111.8	R55 Q62 T63 Q492	R55-E59 WeakPolarHBondContact O-CG 3.48Å; R55-E59 PolarHBondContact O-N 3.49Å; E59-Q62 PolarHBondContact O-N 3.26Å; E59-T63 PolarHBondContact O-N 3.11Å; E59-T63 PolarHBondContact O-OG1 2.66Å; E59-Q492 PolarHBondContact OE2-NE2 3.47Å
60	R	74.7	Confident	63.5	Low	94 Å²	94	74.6 Å²	74.6	36%	0.355	43%	0.43	S	S	.	.	H	α-helix	trans	-64.4	-44.3	173.9	178.9	-176.6	164.1	158.1	1.3	112	A56 S57 A58 Q62 T63 E64 L486 S490 V493	A56-R60 PolarHBondContact O-N 3.24Å; A56-R60 VanDerWaalsContact O-N 3.1Å; S57-R60 PolarHBondContact O-N 2.93Å; A58-R60 VanDerWaalsContact C-N 3.32Å; A58-R60 PolarHBondContact O-N 2.82Å; R60-Q62 VanDerWaalsContact C-N 3.3Å; R60-Q62 PolarHBondContact O-N 2.83Å; R60-T63 WeakPolarHBondContact O-CB 3.21Å; R60-T63 PolarHBondContact O-N 3.07Å; R60-E64 PolarHBondContact O-N 3.47Å; R60-L486 HydrophobicContact CG-CD1 4.35Å; R60-S490 PolarHBondContact NH1-OG 3.24Å; R60-V493 HydrophobicContact CB-CG2 4.17Å
61	G	62.3	Low	61.3	Low	36 Å²	36	75.4 Å²	75.4	37%	0.371	45%	0.448	S	S	.	.	H	α-helix	trans	-60.6	-38.9	177.9	0	0	0	0	0	112.5	S57 A58 E64 A65	S57-G61 PolarHBondContact O-N 3.36Å; A58-G61 PolarHBondContact O-N 2.84Å; A58-G61 VanDerWaalsContact O-N 3.13Å; G61-E64 PolarHBondContact O-N 3.13Å; G61-A65 WeakPolarHBondContact O-CB 3.24Å; G61-A65 PolarHBondContact O-N 2.9Å
62	Q	64.1	Low	59.5	Low	116 Å²	116	78.9 Å²	78.9	54%	0.542	47%	0.47	S	S	.	.	H	α-helix	trans	-64.1	-43.6	172.7	-71.5	168.6	-5.5	0	0	111.6	A58 E59 R60 E64 A65 G66	A58-Q62 VanDerWaalsContact O-CG 3.28Å; A58-Q62 WeakPolarHBondContact O-CG 3.42Å; A58-Q62 PolarHBondContact O-N 3.44Å; E59-Q62 PolarHBondContact O-N 3.26Å; R60-Q62 VanDerWaalsContact C-N 3.3Å; R60-Q62 PolarHBondContact O-N 2.83Å; Q62-E64 VanDerWaalsContact C-N 3.33Å; Q62-E64 PolarHBondContact O-N 2.86Å; Q62-A65 PolarHBondContact O-N 2.85Å; Q62-G66 PolarHBondContact O-N 3.41Å
63	T	58.6	Low	57.5	Low	45 Å²	45	82.3 Å²	82.3	28%	0.276	49%	0.492	S	S	.	.	H	α-helix	trans	-62.9	-38.8	176.4	-52.2	0	0	0	0	111.8	E59 R60 L486	E59-T63 PolarHBondContact O-N 3.11Å; E59-T63 PolarHBondContact O-OG1 2.66Å; R60-T63 WeakPolarHBondContact O-CB 3.21Å; R60-T63 PolarHBondContact O-N 3.07Å; T63-L486 HydrophobicContact CG2-CB 4.13Å; T63-L486 HydrophobicContact CG2-CD1 4.05Å
64	E	57.6	Low	55.5	Low	69 Å²	69	87.4 Å²	87.4	32%	0.322	52%	0.519	S	S	.	.	H	α-helix	trans	-73.3	-38.6	177.5	-167.3	179.7	156.6	0	0	112.6	R60 G61 Q62 C67 R68 L486	R60-E64 PolarHBondContact O-N 3.47Å; G61-E64 PolarHBondContact O-N 3.13Å; Q62-E64 VanDerWaalsContact C-N 3.33Å; Q62-E64 PolarHBondContact O-N 2.86Å; E64-C67 WeakPolarHBondContact O-CB 3.37Å; E64-C67 PolarHBondContact O-N 2.91Å; E64-R68 IonicContact OE1-CZ 3.5Å; E64-R68 IonicContact OE1-NE 3.65Å; E64-R68 IonicContact OE1-NH2 3.67Å; E64-R68 PolarHBondContact OE1-NH2 3.22Å; E64-L486 HydrophobicContact CB-CD1 4.01Å
65	A	55.1	Low	53.5	Low	68 Å²	68	90.5 Å²	90.5	56%	0.562	53%	0.53	S	S	*	.	H	α-helix	trans	-64.9	-40	176.9	0	0	0	0	0	112.1	G61 Q62 C67 R68	G61-A65 WeakPolarHBondContact O-CB 3.24Å; G61-A65 PolarHBondContact O-N 2.9Å; Q62-A65 PolarHBondContact O-N 2.85Å; A65-C67 PolarHBondContact O-N 2.79Å; A65-C67 VanDerWaalsContact O-N 3.15Å; A65-R68 PolarHBondContact O-N 2.94Å
66	G	51.3	Low	51.6	Low	62 Å²	62	92 Å²	92	64%	0.639	54%	0.544	S	S	*	.	H	α-helix	trans	-59.1	-23.3	173.5	0	0	0	0	0	113.8	Q62	Q62-G66 PolarHBondContact O-N 3.41Å
67	C	51.6	Low	49.8	Very low	47 Å²	47	99.1 Å²	99.1	32%	0.318	58%	0.582	S	S	.	*	H	α-helix	trans	-87.4	-19.9	-179.8	-86.4	0	0	0	0	115.6	E64 A65 G69 C483	E64-C67 WeakPolarHBondContact O-CB 3.37Å; E64-C67 PolarHBondContact O-N 2.91Å; A65-C67 PolarHBondContact O-N 2.79Å; A65-C67 VanDerWaalsContact O-N 3.15Å; C67-G69 VanDerWaalsContact C-N 3.32Å; C67-G69 PolarHBondContact O-N 2.91Å; C67-C483 HydrophobicContact CB-CB 4.32Å; C67-C483 WeakPolarHBondContact CB-SG 3.49Å; C67-C483 WeakPolarHBondContact SG-CB 3.33Å; C67-C483 CovalentContact SG-SG 2.02Å; C67-C483 PolarHBondContact SG-SG 2.97Å
68	R	46.2	Very low	48.3	Very low	198 Å²	198	100.3 Å²	100.3	75%	0.747	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-2.5	-174	-71.2	-175.8	-174.1	-124	4.1	114.3	E64 A65	E64-R68 IonicContact OE1-CZ 3.5Å; E64-R68 IonicContact OE1-NE 3.65Å; E64-R68 IonicContact OE1-NH2 3.67Å; E64-R68 PolarHBondContact OE1-NH2 3.22Å; A65-R68 PolarHBondContact O-N 2.94Å
69	G	40.9	Very low	46.6	Very low	71 Å²	71	101.8 Å²	101.8	73%	0.732	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	6.1	-172.4	0	0	0	0	0	117.8	C67	C67-G69 VanDerWaalsContact C-N 3.32Å; C67-G69 PolarHBondContact O-N 2.91Å
70	C	35.5	Very low	44.8	Very low	104 Å²	104	106.7 Å²	106.7	70%	0.703	63%	0.632	S	S	*	*			trans	-94.2	111.4	-167.1	-70.2	0	0	0	0	115.6
71	A	31.3	Very low	42.8	Very low	95 Å²	95	109.4 Å²	109.4	79%	0.785	65%	0.653	S	S	*	*			trans	-175.5	152.2	140.5	0	0	0	0	0	111.8
72	P	38.7	Very low	41.3	Very low	123 Å²	123	113.9 Å²	113.9	80%	0.799	68%	0.678	S	S	*	*			cis	-115.6	159.3	-45.7	30.5	-14.2	0	0	0	113.2
73	C	33.8	Very low	39.9	Very low	83 Å²	83	111.2 Å²	111.2	56%	0.561	68%	0.682	S	S	*	*			trans	-60.2	142.2	177.8	-48.8	0	0	0	0	113.1
74	L	33	Very low	38.9	Very low	144 Å²	144	114.8 Å²	114.8	75%	0.754	71%	0.709	S	S	*	*	S	Bend	trans	-97	6.8	-177.5	-96.6	168.4	0	0	0	116.3
75	F	33.5	Very low	37.8	Very low	189 Å²	189	116.1 Å²	116.1	83%	0.829	73%	0.725	S	S	*	*	S	Bend	trans	-148.7	157.5	169.1	-67.5	-72	0	0	0	114.1	N77	F75-N77 PolarHBondContact O-N 2.99Å
76	Q	33.6	Very low	37.5	Very low	191 Å²	191	116.7 Å²	116.7	89%	0.893	73%	0.725	S	S	*	*	S	Bend	trans	-83.6	5.6	-139	-109.7	175.8	-1.3	0	0	120.2
77	N	32.4	Very low	38.4	Very low	152 Å²	152	117.9 Å²	117.9	81%	0.813	72%	0.72	S	S	*	*			trans	-133.5	53.4	-174.2	-80.9	-33.2	0	0	0	114.2	F75 G79	F75-N77 PolarHBondContact O-N 2.99Å; N77-G79 VanDerWaalsContact C-N 3.26Å
78	C	41.7	Very low	40	Very low	86 Å²	86	117.1 Å²	117.1	58%	0.581	71%	0.714	S	S	*	*			trans	-84.2	6.9	169.2	-65.6	0	0	0	0	113.8	Q80	C78-Q80 PolarHBondContact O-N 3.3Å; C78-Q80 VanDerWaalsContact O-N 3.16Å
79	G	32.1	Very low	41.9	Very low	79 Å²	79	107.8 Å²	107.8	81%	0.814	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-2.1	-173.5	0	0	0	0	0	116.6	N77	N77-G79 VanDerWaalsContact C-N 3.26Å
80	Q	32.1	Very low	44	Very low	189 Å²	189	109.4 Å²	109.4	88%	0.883	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.9	8.7	-171.2	-111.5	164.5	-17.7	0	0	116.5	C78	C78-Q80 PolarHBondContact O-N 3.3Å; C78-Q80 VanDerWaalsContact O-N 3.16Å
81	L	32.8	Very low	46.1	Very low	151 Å²	151	106.7 Å²	106.7	79%	0.791	64%	0.643	S	S	*	*			trans	-121.7	108.4	178.5	-71.4	164	0	0	0	110.4	G83	L81-G83 PolarHBondContact O-N 2.94Å
82	S	32.1	Very low	47.7	Very low	129 Å²	129	104.5 Å²	104.5	90%	0.902	62%	0.622	S	S	*	*			trans	-71.1	61.8	170	170.3	0	0	0	0	111
83	G	33.4	Very low	48.5	Very low	61 Å²	61	102.7 Å²	102.7	63%	0.629	61%	0.613	S	S	*	*			trans	-120.1	133.2	178.6	0	0	0	0	0	112.3	L81	L81-G83 PolarHBondContact O-N 2.94Å
84	S	37.3	Very low	49.1	Very low	120 Å²	120	110.4 Å²	110.4	84%	0.839	63%	0.63	S	S	*	*			trans	-53.7	136	175.8	179	0	0	0	0	112.6	S86	S84-S86 PolarHBondContact O-N 3.28Å
85	C	36	Very low	49.4	Very low	97 Å²	97	109.9 Å²	109.9	66%	0.655	63%	0.632	S	S	*	*			trans	-75.8	102.4	167.6	-89.4	0	0	0	0	109.4	V87	C85-V87 PolarHBondContact O-N 2.98Å
86	S	48.9	Very low	49.7	Very low	79 Å²	79	109.6 Å²	109.6	55%	0.552	63%	0.633	S	S	*	*			trans	-74.6	118.7	169.4	44.1	0	0	0	0	110.4	S84 C88	S84-S86 PolarHBondContact O-N 3.28Å; S86-C88 PolarHBondContact O-N 2.84Å
87	V	69.9	Low	50	Low	88 Å²	88	108 Å²	108	53%	0.533	63%	0.631	S	S	.	*			trans	-73.6	111.5	168.1	179.3	0	0	0	0	107.2	C85 Q90	C85-V87 PolarHBondContact O-N 2.98Å; V87-Q90 VanDerWaalsContact CG1-CD 3.48Å; V87-Q90 HydrophobicContact CG1-CG 4.2Å
88	C	85.8	Confident	50.2	Low	30 Å²	30	108 Å²	108	20%	0.203	63%	0.631	C	S	.	*			trans	-119.6	158.7	-179.9	65.4	0	0	0	0	111.9	S86 Q90 P212 C214	S86-C88 PolarHBondContact O-N 2.84Å; C88-Q90 PolarHBondContact O-N 3.01Å; C88-P212 CarbonylContact C-O 3Å; C88-P212 VanDerWaalsContact CA-O 3.26Å; C88-P212 WeakPolarHBondContact CA-O 3.24Å; C88-C214 HydrophobicContact CB-CB 4.04Å; C88-C214 WeakPolarHBondContact CB-SG 3.44Å; C88-C214 PolarHBondContact O-SG 2.96Å; C88-C214 WeakPolarHBondContact SG-CA 3.36Å; C88-C214 WeakPolarHBondContact SG-CB 3.39Å; C88-C214 CovalentContact SG-SG 2.05Å; C88-C214 PolarHBondContact SG-SG 3.28Å
89	G	84.8	Confident	49.7	Very low	2 Å²	2	110.9 Å²	110.9	2%	0.021	65%	0.646	C	S	.	*	S	Bend	trans	67.1	35.4	165.8	0	0	0	0	0	114.4	P212 R301 F302	G89-P212 PolarHBondContact N-O 2.93Å; G89-R301 WeakPolarHBondContact O-CA 3.25Å; G89-F302 VanDerWaalsContact CA-O 3.3Å; G89-F302 WeakPolarHBondContact CA-O 3.17Å; G89-F302 WeakPolarHBondContact O-CD2 3.31Å; G89-F302 PolarHBondContact O-N 3.45Å
90	Q	84.4	Confident	49.9	Very low	105 Å²	105	116.3 Å²	116.3	49%	0.491	65%	0.65	S	S	.	*			trans	-111.9	134.8	175.7	-67.1	-172.9	-22.3	0	0	110.5	V87 C88	V87-Q90 VanDerWaalsContact CG1-CD 3.48Å; V87-Q90 HydrophobicContact CG1-CG 4.2Å; C88-Q90 PolarHBondContact O-N 3.01Å
91	R	81.3	Confident	50.1	Low	47 Å²	47	111.9 Å²	111.9	18%	0.177	64%	0.638	C	S	.	*			trans	-102.9	142.8	168.5	-65	-177	178.2	-159	-10.3	108.6	S93 S115 W116 W118 E247 F302	R91-S93 VanDerWaalsContact C-N 3.27Å; R91-S93 PolarHBondContact O-N 2.92Å; R91-S115 WeakPolarHBondContact CD-O 3.27Å; R91-S115 WeakPolarHBondContact CG-O 3.15Å; R91-S115 PolarHBondContact NE-O 2.83Å; R91-W116 VanDerWaalsContact NH2-CH2 3.26Å; R91-W118 HydrophobicContact CG-CH2 3.55Å; R91-W118 HydrophobicContact CG-CZ2 4.38Å; R91-W118 HydrophobicContact CG-CZ3 4.12Å; R91-E247 IonicContact NH1-OE2 2.77Å; R91-F302 HydrophobicContact CB-CE2 4.15Å; R91-F302 VanDerWaalsContact CD-CZ 3.49Å; R91-F302 HydrophobicContact CG-CD2 3.86Å; R91-F302 HydrophobicContact CG-CE2 3.58Å; R91-F302 HydrophobicContact CG-CZ 4.07Å
92	S	64.6	Low	50.1	Low	49 Å²	49	116.2 Å²	116.2	34%	0.343	64%	0.644	S	S	.	*			trans	-79.1	-6.4	-179.2	-163	0	0	0	0	114.7	R94 E208	S92-R94 PolarHBondContact O-N 3.46Å; S92-E208 WeakPolarHBondContact CB-OE1 3.5Å; S92-E208 WeakPolarHBondContact OG-CG 3.44Å; S92-E208 PolarHBondContact OG-OE1 3.16Å
93	S	54.8	Low	50.1	Low	86 Å²	86	112.7 Å²	112.7	60%	0.601	62%	0.619	S	S	*	*			trans	-55.1	100.9	-162.9	59.8	0	0	0	0	114.5	R91	R91-S93 VanDerWaalsContact C-N 3.27Å; R91-S93 PolarHBondContact O-N 2.92Å
94	R	46.1	Very low	50.3	Low	244 Å²	244	117.1 Å²	117.1	92%	0.921	62%	0.617	S	S	*	*			trans	-99.3	73.1	150.1	-72.8	-172.6	179.3	-170	1.6	108.9	S92	S92-R94 PolarHBondContact O-N 3.46Å
95	V	39.5	Very low	50.9	Low	133 Å²	133	111.6 Å²	111.6	81%	0.806	58%	0.578	S	S	*	*			trans	-141.4	126	159.8	-175.7	0	0	0	0	109.5
96	Q	39.2	Very low	51.7	Low	183 Å²	183	108.1 Å²	108.1	86%	0.855	55%	0.554	S	S	*	*			trans	-66.9	144	175.6	-79	171.7	-28.8	0	0	111.6	N98	Q96-N98 PolarHBondContact O-N 2.75Å; Q96-N98 VanDerWaalsContact O-N 3.16Å
97	N	40.8	Very low	52.2	Low	158 Å²	158	106.3 Å²	106.3	85%	0.845	55%	0.548	S	S	*	.			trans	-41.9	114.8	165	-66.4	-25.5	0	0	0	111.6
98	N	37.6	Very low	52.2	Low	153 Å²	153	102.4 Å²	102.4	82%	0.818	53%	0.525	S	S	*	.			trans	-166.9	95.5	152.8	-100	-16.6	0	0	0	111.3	Q96	Q96-N98 PolarHBondContact O-N 2.75Å; Q96-N98 VanDerWaalsContact O-N 3.16Å
99	T	30.4	Very low	52.1	Low	145 Å²	145	102.8 Å²	102.8	89%	0.89	53%	0.528	S	S	*	.				158.9	146.8	120.2	40.2	0	0	0	0	110.7
100	Q	35.7	Very low	52.2	Low	193 Å²	193	106 Å²	106	90%	0.902	55%	0.549	S	S	*	.			trans	-65.5	149.4	-172.2	-75	-167.4	-6.7	0	0	113.6
101	P	36.8	Very low	52.5	Low	96 Å²	96	101.2 Å²	101.2	62%	0.623	53%	0.527	S	S	*	.			trans	-93.9	145.6	-163.1	24.3	-9.9	0	0	0	113.7
102	R	32.2	Very low	52.9	Low	242 Å²	242	102.3 Å²	102.3	91%	0.913	54%	0.54	S	S	*	.			trans	-115.4	117.9	149.1	-80.7	-175.7	163.4	169.5	-3.8	107.6
103	S	32.2	Very low	53.8	Low	56 Å²	56	105.4 Å²	105.4	39%	0.392	55%	0.552	S	S	.	*			trans	-67.3	163.8	-165.2	-72.5	0	0	0	0	116.8	G108	S103-G108 CarbonylContact C-O 3.56Å; S103-G108 WeakPolarHBondContact CA-O 3.42Å; S103-G108 WeakPolarHBondContact CB-O 3.49Å; S103-G108 PolarHBondContact OG-O 2.83Å
104	R	38.4	Very low	55.1	Low	153 Å²	153	102 Å²	102	58%	0.577	53%	0.531	S	S	*	.			trans	177.9	65.6	141.7	-95	166.4	-133.1	-155.1	0.4	117.8	G108 L235 M246	R104-G108 PolarHBondContact N-O 3.31Å; R104-L235 HydrophobicContact CB-CB 4.41Å; R104-L235 HydrophobicContact CB-CD1 4Å; R104-L235 HydrophobicContact CB-CD2 3.8Å; R104-L235 HydrophobicContact CB-CG 4.28Å; R104-L235 HydrophobicContact CG-CB 4.18Å; R104-L235 HydrophobicContact CG-CD1 4.04Å; R104-L235 HydrophobicContact CG-CD2 4.46Å; R104-L235 HydrophobicContact CG-CG 4.45Å; R104-L235 WeakPolarHBondContact O-CD2 3.43Å; R104-M246 VanDerWaalsContact CA-CE 3.45Å; R104-M246 HydrophobicContact CB-CE 3.79Å; R104-M246 VanDerWaalsContact N-CE 3.32Å; R104-M246 WeakPolarHBondContact O-CB 3.47Å; R104-M246 WeakPolarHBondContact O-CE 3.41Å; R104-M246 WeakPolarHBondContact O-CG 3.17Å
105	I	50.3	Low	57.1	Low	4 Å²	4	90.6 Å²	90.6	2%	0.021	49%	0.488	C	S	.	.	S	Bend		-85.2	174	117.8	-71.8	-64.2	0	0	0	103.6	G107 G108 M246 A248 D282	I105-G107 PolarHBondContact O-N 2.86Å; I105-G108 PolarHBondContact O-N 3.47Å; I105-M246 HydrophobicContact CB-CB 4.48Å; I105-M246 HydrophobicContact CD1-CB 3.47Å; I105-M246 VanDerWaalsContact CD1-CB 3.47Å; I105-M246 HydrophobicContact CD1-CG 4.47Å; I105-M246 HydrophobicContact CG1-CB 3.44Å; I105-M246 VanDerWaalsContact CG1-CB 3.44Å; I105-A248 HydrophobicContact CB-CB 4.4Å; I105-A248 HydrophobicContact CG2-CB 4.32Å; I105-D282 WeakPolarHBondContact CG2-O 3.3Å
106	V	53.1	Low	59.7	Low	24 Å²	24	85 Å²	85	15%	0.145	45%	0.453	C	S	.	.	B	Isolated β-bridge	trans	-50.8	109.8	165.6	-157.2	0	0	0	0	106.4	G108 L235 G280 I281 C284 C314	V106-G108 VanDerWaalsContact C-N 3.32Å; V106-G108 PolarHBondContact O-N 3.32Å; V106-G108 VanDerWaalsContact O-N 3.09Å; V106-L235 PolarHBondContact N-O 3.27Å; V106-G280 CarbonylContact C-O 3.46Å; V106-G280 VanDerWaalsContact CG1-O 3.29Å; V106-G280 WeakPolarHBondContact CG1-O 3.37Å; V106-I281 VanDerWaalsContact O-CA 3.22Å; V106-I281 WeakPolarHBondContact O-CA 3.49Å; V106-C284 HydrophobicContact CG2-CB 4.44Å; V106-C314 HydrophobicContact CG2-CB 4.22Å
107	G	58.3	Low	62.3	Low	42 Å²	42	76.4 Å²	76.4	43%	0.433	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	6.5	-168.7	0	0	0	0	0	120.7	I105 G280	I105-G107 PolarHBondContact O-N 2.86Å; G107-G280 PolarHBondContact N-O 2.71Å; G107-G280 VanDerWaalsContact N-O 3.13Å
108	G	69.4	Low	65	Low	5 Å²	5	68.9 Å²	68.9	5%	0.052	37%	0.373	C	S	.	.			trans	-92.5	-170.2	176.9	0	0	0	0	0	115.3	S103 R104 I105 V106 E247	S103-G108 CarbonylContact C-O 3.56Å; S103-G108 WeakPolarHBondContact CA-O 3.42Å; S103-G108 WeakPolarHBondContact CB-O 3.49Å; S103-G108 PolarHBondContact OG-O 2.83Å; R104-G108 PolarHBondContact N-O 3.31Å; I105-G108 PolarHBondContact O-N 3.47Å; V106-G108 VanDerWaalsContact C-N 3.32Å; V106-G108 PolarHBondContact O-N 3.32Å; V106-G108 VanDerWaalsContact O-N 3.09Å; G108-E247 CarbonylContact C-O 3.43Å; G108-E247 WeakPolarHBondContact CA-O 2.9Å
109	S	83.8	Confident	67.8	Low	39 Å²	39	61.8 Å²	61.8	27%	0.273	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	156.7	-175.7	53.8	0	0	0	0	113.1	A111 E247	S109-A111 PolarHBondContact O-N 3.45Å; S109-E247 PolarHBondContact N-O 2.73Å; S109-E247 PolarHBondContact O-N 3.26Å
110	P	88.3	Confident	71	Confident	68 Å²	68	54.9 Å²	54.9	44%	0.442	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	131.5	171.5	-20.6	30.5	0	0	0	110.7	V244 M246	P110-V244 HydrophobicContact CB-CG2 4.42Å; P110-M246 HydrophobicContact CB-CE 4.27Å; P110-M246 HydrophobicContact CB-SD 4.08Å; P110-M246 HydrophobicContact CG-CE 3.77Å; P110-M246 HydrophobicContact CG-SD 4.15Å
111	A	90.2	Very high	73.9	Confident	5 Å²	5	45.9 Å²	45.9	4%	0.041	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-73.9	145.3	178.7	0	0	0	0	0	110.1	S109 F163 V245 E247	S109-A111 PolarHBondContact O-N 3.45Å; A111-F163 VanDerWaalsContact O-CE2 3.23Å; A111-F163 WeakPolarHBondContact O-CE2 3.31Å; A111-F163 WeakPolarHBondContact O-CZ 3.29Å; A111-V245 HydrophobicContact CB-CB 4.19Å; A111-V245 HydrophobicContact CB-CG1 3.75Å; A111-V245 WeakPolarHBondContact CB-O 3.33Å; A111-V245 PolarHBondContact N-O 2.84Å; A111-E247 HydrophobicContact CB-CB 4.05Å; A111-E247 HydrophobicContact CB-CG 3.9Å
112	P	88.4	Confident	76.7	Confident	70 Å²	70	41.3 Å²	41.3	46%	0.455	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-61.2	142.6	168.9	-21.9	33	0	0	0	110.9	G114 S115	P112-G114 PolarHBondContact O-N 3.09Å; P112-S115 WeakPolarHBondContact O-CB 3.44Å; P112-S115 PolarHBondContact O-N 3.47Å; P112-S115 PolarHBondContact O-OG 3.02Å
113	L	85	Confident	79.6	Confident	114 Å²	114	31.3 Å²	31.3	60%	0.597	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	131.9	175.5	-171.9	69.1	0	0	0	110.5	S115 F163	L113-S115 VanDerWaalsContact C-N 3.27Å; L113-S115 PolarHBondContact O-N 2.92Å; L113-F163 HydrophobicContact CD1-CB 3.77Å; L113-F163 HydrophobicContact CD1-CD1 3.59Å; L113-F163 HydrophobicContact CD1-CD2 3.95Å; L113-F163 HydrophobicContact CD1-CE1 4.16Å; L113-F163 HydrophobicContact CD1-CE2 4.46Å; L113-F163 HydrophobicContact CD1-CG 3.47Å; L113-F163 VanDerWaalsContact CD1-CG 3.47Å
114	G	80.9	Confident	82.4	Confident	14 Å²	14	29.1 Å²	29.1	14%	0.144	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	8.4	-179.3	0	0	0	0	0	116.2	P112 W116 H209	P112-G114 PolarHBondContact O-N 3.09Å; G114-W116 VanDerWaalsContact C-N 3.29Å; G114-W116 PolarHBondContact O-N 3Å; G114-H209 VanDerWaalsContact CA-CD2 3.44Å; G114-H209 WeakPolarHBondContact CA-CD2 3.34Å
115	S	89.2	Confident	84.7	Confident	5 Å²	5	26.5 Å²	26.5	4%	0.035	17%	0.166	C	C	.	.	S	Bend	trans	-75.3	-16.1	176.1	59.6	0	0	0	0	114	R91 P112 L113 P117	R91-S115 WeakPolarHBondContact CD-O 3.27Å; R91-S115 WeakPolarHBondContact CG-O 3.15Å; R91-S115 PolarHBondContact NE-O 2.83Å; P112-S115 WeakPolarHBondContact O-CB 3.44Å; P112-S115 PolarHBondContact O-N 3.47Å; P112-S115 PolarHBondContact O-OG 3.02Å; L113-S115 VanDerWaalsContact C-N 3.27Å; L113-S115 PolarHBondContact O-N 2.92Å; S115-P117 VanDerWaalsContact C-CD 3.45Å; S115-P117 WeakPolarHBondContact O-CD 3.38Å
116	W	94.2	Very high	86.5	Confident	16 Å²	16	28.6 Å²	28.6	6%	0.061	19%	0.188	C	C	.	.			trans	-127.3	60	-176.6	-67.6	95.1	0	0	0	113.1	R91 G114 W118 L119 L228 A230 V245 E247 P291 I293	R91-W116 VanDerWaalsContact NH2-CH2 3.26Å; G114-W116 VanDerWaalsContact C-N 3.29Å; G114-W116 PolarHBondContact O-N 3Å; W116-W118 HydrophobicContact CE3-CZ2 4.37Å; W116-W118 AromaticContact CE3-NE1 3.36Å; W116-W118 AromaticContact CZ3-NE1 3.72Å; W116-W118 PolarHBondContact O-N 3.33Å; W116-W118 VanDerWaalsContact O-N 3.09Å; W116-L119 HydrophobicContact CB-CB 3.94Å; W116-L119 HydrophobicContact CB-CD2 4.33Å; W116-L119 WeakPolarHBondContact O-CB 3.47Å; W116-L119 PolarHBondContact O-N 2.79Å; W116-L228 HydrophobicContact CH2-CB 3.6Å; W116-L228 HydrophobicContact CZ2-CB 3.88Å; W116-A230 HydrophobicContact CD2-CB 3.42Å; W116-A230 VanDerWaalsContact CD2-CB 3.42Å; W116-A230 HydrophobicContact CE3-CB 3.75Å; W116-A230 HydrophobicContact CG-CB 3.93Å; W116-A230 HydrophobicContact CH2-CB 3.78Å; W116-A230 HydrophobicContact CZ2-CB 3.49Å; W116-A230 VanDerWaalsContact CZ2-CB 3.49Å; W116-A230 HydrophobicContact CZ3-CB 3.9Å; W116-V245 HydrophobicContact CG-CG1 4.42Å; W116-E247 HydrophobicContact CZ2-CB 4.06Å; W116-E247 PolarHBondContact NE1-OE2 2.92Å; W116-P291 HydrophobicContact CE3-CG 4.18Å; W116-P291 HydrophobicContact CZ3-CG 3.82Å; W116-I293 HydrophobicContact CH2-CB 4.39Å; W116-I293 HydrophobicContact CH2-CG1 4.1Å; W116-I293 HydrophobicContact CZ3-CB 4.28Å; W116-I293 HydrophobicContact CZ3-CG1 3.52Å
117	P	93.9	Very high	88.1	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.013	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-9	-171.3	31.6	-37.9	0	0	0	114.7	S115 H209 V210 T211	S115-P117 VanDerWaalsContact C-CD 3.45Å; S115-P117 WeakPolarHBondContact O-CD 3.38Å; P117-H209 WeakPolarHBondContact CA-O 3.43Å; P117-H209 VanDerWaalsContact CB-C 3.44Å; P117-H209 WeakPolarHBondContact CB-O 3.37Å; P117-V210 VanDerWaalsContact O-CA 3.31Å; P117-V210 WeakPolarHBondContact O-CA 3.36Å; P117-T211 CarbonylContact C-O 3.56Å; P117-T211 WeakPolarHBondContact CB-OG1 3.31Å; P117-T211 VanDerWaalsContact CG-OG1 3.25Å; P117-T211 WeakPolarHBondContact CG-OG1 3.47Å; P117-T211 PolarHBondContact O-N 3.42Å
118	W	96.1	Very high	89.6	Confident	1 Å²	1	33.8 Å²	33.8	0%	0.004	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-3.8	174.3	46.1	76.5	0	0	0	113.1	R91 W116 V133 L134 T211 V213 I293 F302	R91-W118 HydrophobicContact CG-CH2 3.55Å; R91-W118 HydrophobicContact CG-CZ2 4.38Å; R91-W118 HydrophobicContact CG-CZ3 4.12Å; W116-W118 HydrophobicContact CE3-CZ2 4.37Å; W116-W118 AromaticContact CE3-NE1 3.36Å; W116-W118 AromaticContact CZ3-NE1 3.72Å; W116-W118 PolarHBondContact O-N 3.33Å; W116-W118 VanDerWaalsContact O-N 3.09Å; W118-V133 HydrophobicContact CB-CG1 4.3Å; W118-V133 HydrophobicContact CG-CG1 4.4Å; W118-V133 CarbonylContact O-C 3.36Å; W118-V133 WeakPolarHBondContact O-CA 3.25Å; W118-L134 HydrophobicContact CB-CB 4.34Å; W118-L134 PolarHBondContact O-N 3.24Å; W118-T211 VanDerWaalsContact CA-O 3.24Å; W118-T211 WeakPolarHBondContact CA-O 3.31Å; W118-T211 VanDerWaalsContact CB-O 3.26Å; W118-T211 WeakPolarHBondContact CB-O 3.42Å; W118-T211 PolarHBondContact N-O 3.38Å; W118-V213 HydrophobicContact CB-CB 3.93Å; W118-V213 HydrophobicContact CD2-CB 3.8Å; W118-V213 HydrophobicContact CD2-CG2 4.01Å; W118-V213 HydrophobicContact CE3-CB 4.12Å; W118-V213 HydrophobicContact CE3-CG2 4.32Å; W118-V213 HydrophobicContact CG-CB 3.71Å; W118-V213 HydrophobicContact CG-CG2 4.31Å; W118-I293 HydrophobicContact CZ2-CG1 4.48Å; W118-I293 HydrophobicContact CZ2-CG2 4.45Å; W118-F302 HydrophobicContact CH2-CB 3.36Å; W118-F302 HydrophobicContact CH2-CD1 4.27Å; W118-F302 AromaticContact CH2-CD2 3.73Å; W118-F302 HydrophobicContact CH2-CD2 3.73Å; W118-F302 AromaticContact CH2-CG 3.52Å; W118-F302 HydrophobicContact CH2-CG 3.52Å; W118-F302 HydrophobicContact CZ2-CB 3.74Å; W118-F302 HydrophobicContact CZ2-CD1 4.37Å; W118-F302 AromaticContact CZ2-CG 4Å; W118-F302 HydrophobicContact CZ2-CG 4Å; W118-F302 HydrophobicContact CZ3-CB 4.16Å
119	L	97.2	Very high	90.6	Very high	4 Å²	4	37 Å²	37	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	135.9	-179.1	-171.4	66.7	0	0	0	109.6	W116 A230 W232 V245 P291	W116-L119 HydrophobicContact CB-CB 3.94Å; W116-L119 HydrophobicContact CB-CD2 4.33Å; W116-L119 WeakPolarHBondContact O-CB 3.47Å; W116-L119 PolarHBondContact O-N 2.79Å; L119-A230 HydrophobicContact CD2-CB 4.47Å; L119-W232 HydrophobicContact CD1-CZ3 4.41Å; L119-W232 HydrophobicContact CD2-CE3 4.2Å; L119-W232 HydrophobicContact CD2-CH2 3.48Å; L119-W232 VanDerWaalsContact CD2-CH2 3.48Å; L119-W232 HydrophobicContact CD2-CZ2 4.06Å; L119-W232 HydrophobicContact CD2-CZ3 3.56Å; L119-W232 HydrophobicContact CG-CH2 3.68Å; L119-W232 HydrophobicContact CG-CZ3 3.63Å; L119-V245 HydrophobicContact CD2-CG1 3.78Å; L119-V245 HydrophobicContact CD2-CG2 3.93Å; L119-P291 HydrophobicContact CD1-CG 3.94Å
120	V	97.6	Very high	91.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.8	-177.8	-172.5	0	0	0	0	108.9	L122 G131 G132 L134 V140 A158 V159 V160	V120-L122 HydrophobicContact CG1-CD2 4.09Å; V120-L122 HydrophobicContact CG1-CG 4.41Å; V120-G131 CarbonylContact O-C 3.6Å; V120-G131 WeakPolarHBondContact O-CA 3.46Å; V120-G132 PolarHBondContact N-O 2.8Å; V120-G132 PolarHBondContact O-N 3.34Å; V120-L134 HydrophobicContact CG2-CB 4.06Å; V120-V140 HydrophobicContact CB-CG1 4.09Å; V120-V140 HydrophobicContact CG1-CG1 4.2Å; V120-V140 HydrophobicContact CG1-CG2 4.31Å; V120-V140 HydrophobicContact CG2-CG1 3.9Å; V120-V140 HydrophobicContact CG2-CG2 3.98Å; V120-A158 HydrophobicContact CG1-CB 3.81Å; V120-V159 WeakPolarHBondContact CA-O 2.99Å; V120-V160 HydrophobicContact CG1-CG1 4.15Å; V120-V160 HydrophobicContact CG2-CG1 4Å
121	N	95.9	Very high	91.5	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.016	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	108.4	169.5	177.2	-18.8	0	0	0	108.2	Q123 L128 V159 E162 W232	N121-Q123 WeakPolarHBondContact OD1-CG 3.49Å; N121-L128 HydrophobicContact CB-CD1 4.45Å; N121-L128 WeakPolarHBondContact OD1-CD1 3.32Å; N121-V159 HydrophobicContact CB-CB 4.19Å; N121-V159 PolarHBondContact N-O 3.46Å; N121-V159 PolarHBondContact O-N 3.17Å; N121-E162 HydrophobicContact CB-CG 4.41Å; N121-W232 HydrophobicContact CB-CE3 4.32Å; N121-W232 HydrophobicContact CB-CH2 4Å; N121-W232 HydrophobicContact CB-CZ3 3.77Å
122	L	95.9	Very high	91.8	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	112.4	175.7	-65.7	174.4	0	0	0	109.3	V120 M129 C130 G131 T142 F147 W156 A158	V120-L122 HydrophobicContact CG1-CD2 4.09Å; V120-L122 HydrophobicContact CG1-CG 4.41Å; L122-M129 PolarHBondContact O-N 3.48Å; L122-C130 WeakPolarHBondContact CA-O 3.46Å; L122-C130 HydrophobicContact CB-CB 4.43Å; L122-C130 VanDerWaalsContact CB-O 3.31Å; L122-C130 WeakPolarHBondContact CB-O 3.12Å; L122-C130 PolarHBondContact N-O 3.16Å; L122-C130 PolarHBondContact O-N 3.49Å; L122-G131 WeakPolarHBondContact CD1-O 3.44Å; L122-T142 HydrophobicContact CD1-CG2 3.67Å; L122-T142 WeakPolarHBondContact CD1-OG1 3.49Å; L122-F147 HydrophobicContact CD1-CZ 4.33Å; L122-W156 HydrophobicContact CB-CE3 4.49Å; L122-W156 HydrophobicContact CB-CZ3 4.25Å; L122-A158 HydrophobicContact CD2-CB 3.86Å
123	Q	93.8	Very high	92.3	Very high	33 Å²	33	28.7 Å²	28.7	15%	0.154	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	144.3	-177.3	-61.5	175.4	-10.4	0	0	111.2	N121 E127 W156 T157 V159	N121-Q123 WeakPolarHBondContact OD1-CG 3.49Å; Q123-E127 CarbonylContact C-O 3.58Å; Q123-E127 WeakPolarHBondContact CA-O 3.28Å; Q123-E127 WeakPolarHBondContact CB-O 3.43Å; Q123-W156 WeakPolarHBondContact O-CA 3.46Å; Q123-W156 VanDerWaalsContact O-CE3 3.31Å; Q123-T157 WeakPolarHBondContact CB-OG1 3.43Å; Q123-T157 PolarHBondContact N-O 3Å; Q123-T157 PolarHBondContact O-N 3.48Å; Q123-T157 PolarHBondContact OE1-OG1 3.01Å; Q123-V159 HydrophobicContact CG-CG2 4.35Å
124	L	90.5	Very high	92.8	Very high	9 Å²	9	23.2 Å²	23.2	5%	0.047	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	121.1	167.5	-179.6	72.3	0	0	0	108.3	G126 E127 M129 R151 Y155 W156	L124-G126 PolarHBondContact O-N 3.01Å; L124-E127 PolarHBondContact N-O 3.05Å; L124-E127 PolarHBondContact O-N 3.14Å; L124-E127 VanDerWaalsContact O-N 3.12Å; L124-M129 HydrophobicContact CB-CB 4.4Å; L124-M129 HydrophobicContact CB-CE 3.95Å; L124-M129 HydrophobicContact CB-CG 3.3Å; L124-M129 HydrophobicContact CB-SD 4.33Å; L124-M129 HydrophobicContact CD2-CE 3.75Å; L124-M129 HydrophobicContact CD2-CG 4.12Å; L124-M129 HydrophobicContact CD2-SD 4.23Å; L124-M129 HydrophobicContact CG-CE 4.34Å; L124-M129 HydrophobicContact CG-CG 4.37Å; L124-R151 HydrophobicContact CD1-CB 4.41Å; L124-R151 VanDerWaalsContact CD2-NH1 3.33Å; L124-Y155 WeakPolarHBondContact CA-O 3.35Å; L124-W156 HydrophobicContact CB-CD2 4.45Å; L124-W156 HydrophobicContact CB-CE3 4.32Å; L124-W156 HydrophobicContact CB-CH2 4.27Å; L124-W156 HydrophobicContact CB-CZ2 4.39Å; L124-W156 HydrophobicContact CB-CZ3 4.24Å; L124-W156 HydrophobicContact CD1-CD2 4Å; L124-W156 HydrophobicContact CD1-CG 4.23Å; L124-W156 HydrophobicContact CD1-CZ2 4.04Å; L124-W156 HydrophobicContact CD2-CZ2 4.43Å
125	N	87.6	Confident	93.4	Very high	98 Å²	98	23.3 Å²	23.3	52%	0.524	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	31	-174.3	-57.7	-36.5	0	0	0	113.6	E127 Y155	N125-E127 VanDerWaalsContact C-N 3.32Å; N125-Y155 PolarHBondContact N-O 3.46Å; N125-Y155 WeakPolarHBondContact OD1-CB 3.1Å; N125-Y155 WeakPolarHBondContact OD1-CD1 3.46Å
126	G	86.7	Confident	93.4	Very high	48 Å²	48	25.5 Å²	25.5	50%	0.495	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	-3.2	-178.9	0	0	0	0	0	115.1	L124	L124-G126 PolarHBondContact O-N 3.01Å
127	E	87.7	Confident	93.1	Very high	132 Å²	132	26.2 Å²	26.2	62%	0.617	15%	0.149	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	135.9	176.3	-64.8	-179.7	168.2	0	0	110.7	Q123 L124 N125 M129	Q123-E127 CarbonylContact C-O 3.58Å; Q123-E127 WeakPolarHBondContact CA-O 3.28Å; Q123-E127 WeakPolarHBondContact CB-O 3.43Å; L124-E127 PolarHBondContact N-O 3.05Å; L124-E127 PolarHBondContact O-N 3.14Å; L124-E127 VanDerWaalsContact O-N 3.12Å; N125-E127 VanDerWaalsContact C-N 3.32Å; E127-M129 PolarHBondContact O-N 3.26Å
128	L	90	Very high	92.7	Very high	43 Å²	43	27.4 Å²	27.4	23%	0.225	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	119.2	174.5	169.2	66.9	0	0	0	109.9	N121 C130 W232	N121-L128 HydrophobicContact CB-CD1 4.45Å; N121-L128 WeakPolarHBondContact OD1-CD1 3.32Å; L128-C130 WeakPolarHBondContact CD1-O 3.45Å; L128-W232 HydrophobicContact CD2-CB 3.62Å; L128-W232 HydrophobicContact CD2-CG 4.49Å
129	M	90.3	Very high	92.6	Very high	72 Å²	72	28.1 Å²	28.1	36%	0.355	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-44	174.5	-75	-67.6	163.6	0	0	112.1	L122 L124 E127 W156	L122-M129 PolarHBondContact O-N 3.48Å; L124-M129 HydrophobicContact CB-CB 4.4Å; L124-M129 HydrophobicContact CB-CE 3.95Å; L124-M129 HydrophobicContact CB-CG 3.3Å; L124-M129 HydrophobicContact CB-SD 4.33Å; L124-M129 HydrophobicContact CD2-CE 3.75Å; L124-M129 HydrophobicContact CD2-CG 4.12Å; L124-M129 HydrophobicContact CD2-SD 4.23Å; L124-M129 HydrophobicContact CG-CE 4.34Å; L124-M129 HydrophobicContact CG-CG 4.37Å; E127-M129 PolarHBondContact O-N 3.26Å; M129-W156 HydrophobicContact CB-CH2 3.9Å; M129-W156 HydrophobicContact CB-CZ3 3.89Å; M129-W156 HydrophobicContact CG-CH2 4.18Å; M129-W156 HydrophobicContact CG-CZ3 4.31Å
130	C	93.9	Very high	92.7	Very high	5 Å²	5	28 Å²	28	3%	0.034	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	158.8	-175.9	-81.1	0	0	0	0	111	L122 L128 C146 S288	L122-C130 WeakPolarHBondContact CA-O 3.46Å; L122-C130 HydrophobicContact CB-CB 4.43Å; L122-C130 VanDerWaalsContact CB-O 3.31Å; L122-C130 WeakPolarHBondContact CB-O 3.12Å; L122-C130 PolarHBondContact N-O 3.16Å; L122-C130 PolarHBondContact O-N 3.49Å; L128-C130 WeakPolarHBondContact CD1-O 3.45Å; C130-C146 HydrophobicContact CB-CB 3.85Å; C130-C146 WeakPolarHBondContact CB-SG 3.29Å; C130-C146 WeakPolarHBondContact SG-CB 3.43Å; C130-C146 CovalentContact SG-SG 2.03Å; C130-C146 PolarHBondContact SG-SG 3.06Å; C130-S288 CarbonylContact C-O 3.6Å; C130-S288 WeakPolarHBondContact CA-O 3.37Å; C130-S288 WeakPolarHBondContact CB-O 3.49Å
131	G	95.4	Very high	92.7	Very high	3 Å²	3	28 Å²	28	3%	0.031	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	166.6	159.8	0	0	0	0	0	112.4	V120 L122 T142 S288 G289	V120-G131 CarbonylContact O-C 3.6Å; V120-G131 WeakPolarHBondContact O-CA 3.46Å; L122-G131 WeakPolarHBondContact CD1-O 3.44Å; G131-T142 PolarHBondContact O-OG1 3.04Å; G131-S288 PolarHBondContact N-O 3.09Å; G131-G289 CarbonylContact C-O 3.47Å; G131-G289 CarbonylContact O-C 3.58Å; G131-G289 VanDerWaalsContact O-C 3.25Å; G131-G289 WeakPolarHBondContact O-CA 3.36Å
132	G	97.5	Very high	92.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	174.3	170.5	0	0	0	0	0	110.7	V120 V141 G289	V120-G132 PolarHBondContact N-O 2.8Å; V120-G132 PolarHBondContact O-N 3.34Å; G132-V141 CarbonylContact C-O 3.56Å; G132-V141 WeakPolarHBondContact CA-O 3.46Å; G132-G289 WeakPolarHBondContact CA-O 3.4Å
133	V	98.1	Very high	92.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	118.6	-175.1	-164.3	0	0	0	0	110.7	W118 V135 V140 V141 V213 P291 L304	W118-V133 HydrophobicContact CB-CG1 4.3Å; W118-V133 HydrophobicContact CG-CG1 4.4Å; W118-V133 CarbonylContact O-C 3.36Å; W118-V133 WeakPolarHBondContact O-CA 3.25Å; V133-V135 PolarHBondContact O-N 3.22Å; V133-V140 CarbonylContact O-C 3.59Å; V133-V140 VanDerWaalsContact O-CA 3.27Å; V133-V140 WeakPolarHBondContact O-CA 3.49Å; V133-V141 PolarHBondContact N-O 3.47Å; V133-V141 PolarHBondContact O-N 3.28Å; V133-V213 HydrophobicContact CG1-CB 4.33Å; V133-V213 HydrophobicContact CG1-CG1 3.46Å; V133-V213 VanDerWaalsContact CG1-CG1 3.46Å; V133-P291 HydrophobicContact CG1-CB 4.33Å; V133-P291 HydrophobicContact CG2-CB 3.59Å; V133-P291 HydrophobicContact CG2-CG 4.2Å; V133-L304 HydrophobicContact CB-CD1 4.44Å; V133-L304 HydrophobicContact CB-CD2 4.04Å; V133-L304 HydrophobicContact CG1-CD1 4.16Å; V133-L304 HydrophobicContact CG1-CD2 4.01Å; V133-L304 HydrophobicContact CG2-CD1 3.98Å; V133-L304 HydrophobicContact CG2-CD2 4.28Å
134	L	96.4	Very high	93	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	116.5	175.6	-165.4	71.4	0	0	0	109.4	W118 V120 D136 V140 L200 A204 V210 P212 V213	W118-L134 HydrophobicContact CB-CB 4.34Å; W118-L134 PolarHBondContact O-N 3.24Å; V120-L134 HydrophobicContact CG2-CB 4.06Å; L134-D136 WeakPolarHBondContact CD1-O 3.2Å; L134-D136 WeakPolarHBondContact CG-O 3.48Å; L134-V140 HydrophobicContact CD1-CG2 3.9Å; L134-L200 HydrophobicContact CD1-CD1 4.4Å; L134-A204 HydrophobicContact CD2-CB 4.44Å; L134-V210 HydrophobicContact CD2-CG1 4.04Å; L134-P212 CarbonylContact O-C 3.58Å; L134-P212 VanDerWaalsContact O-CA 3.25Å; L134-P212 WeakPolarHBondContact O-CA 3.36Å; L134-V213 PolarHBondContact O-N 3.4Å
135	V	93.8	Very high	93.2	Very high	16 Å²	16	27.6 Å²	27.6	10%	0.097	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	-18	179.6	-64.7	0	0	0	0	112.6	V133 W139 V141 V213 L215 L304 I337	V133-V135 PolarHBondContact O-N 3.22Å; V135-W139 HydrophobicContact CG2-CB 4Å; V135-W139 WeakPolarHBondContact CG2-O 3.37Å; V135-W139 PolarHBondContact N-O 2.83Å; V135-V141 HydrophobicContact CB-CG2 4.35Å; V135-V141 HydrophobicContact CG1-CB 4.11Å; V135-V141 HydrophobicContact CG1-CG2 3.66Å; V135-V141 HydrophobicContact CG2-CG2 3.77Å; V135-V213 HydrophobicContact CG1-CG1 4.1Å; V135-L215 HydrophobicContact CB-CD2 4.34Å; V135-L215 HydrophobicContact CB-CG 4.4Å; V135-L215 HydrophobicContact CG1-CD2 3.86Å; V135-L215 HydrophobicContact CG1-CG 4.39Å; V135-L304 HydrophobicContact CG1-CD2 4.13Å; V135-I337 HydrophobicContact CG2-CD1 4.11Å
136	D	89.4	Confident	93.5	Very high	50 Å²	50	23.7 Å²	23.7	27%	0.267	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	164.1	167.3	-175.6	-91.6	0	0	0	108.3	L134 S138 W139	L134-D136 WeakPolarHBondContact CD1-O 3.2Å; L134-D136 WeakPolarHBondContact CG-O 3.48Å; D136-S138 PolarHBondContact O-N 3.38Å; D136-S138 PolarHBondContact OD1-N 2.88Å; D136-W139 HydrophobicContact CB-CB 4Å; D136-W139 HydrophobicContact CB-CG 4.4Å; D136-W139 PolarHBondContact N-O 3.15Å; D136-W139 PolarHBondContact O-N 2.76Å; D136-W139 VanDerWaalsContact O-N 3.09Å
137	S	86.4	Confident	93.7	Very high	32 Å²	32	22.1 Å²	22.1	22%	0.224	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.7	-34.5	174.1	65.3	0	0	0	0	114.5	P203 A204	S137-P203 CarbonylContact O-C 3.54Å; S137-P203 WeakPolarHBondContact O-CA 3.44Å; S137-A204 WeakPolarHBondContact O-CB 3.35Å; S137-A204 PolarHBondContact O-N 3.38Å
138	S	87.4	Confident	93.3	Very high	27 Å²	27	18.8 Å²	18.8	19%	0.189	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	3.6	-177.7	-55.4	0	0	0	0	114.2	D136 L200 P203	D136-S138 PolarHBondContact O-N 3.38Å; D136-S138 PolarHBondContact OD1-N 2.88Å; S138-L200 PolarHBondContact O-N 2.87Å; S138-P203 WeakPolarHBondContact OG-CA 3.35Å; S138-P203 WeakPolarHBondContact OG-CB 3.37Å
139	W	94.1	Very high	92.2	Very high	16 Å²	16	20.4 Å²	20.4	6%	0.061	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	129.1	-169.5	-66.6	95.2	0	0	0	112.9	V135 D136 I181 L197 E199 I337	V135-W139 HydrophobicContact CG2-CB 4Å; V135-W139 WeakPolarHBondContact CG2-O 3.37Å; V135-W139 PolarHBondContact N-O 2.83Å; D136-W139 HydrophobicContact CB-CB 4Å; D136-W139 HydrophobicContact CB-CG 4.4Å; D136-W139 PolarHBondContact N-O 3.15Å; D136-W139 PolarHBondContact O-N 2.76Å; D136-W139 VanDerWaalsContact O-N 3.09Å; W139-I181 HydrophobicContact CH2-CD1 4.05Å; W139-I181 HydrophobicContact CZ3-CD1 3.96Å; W139-L197 HydrophobicContact CE3-CB 4.13Å; W139-L197 HydrophobicContact CE3-CD1 4.43Å; W139-L197 HydrophobicContact CZ3-CB 4.02Å; W139-L197 HydrophobicContact CZ3-CD1 4.24Å; W139-E199 HydrophobicContact CD2-CB 4.44Å; W139-E199 HydrophobicContact CD2-CG 4.35Å; W139-E199 HydrophobicContact CE3-CB 4Å; W139-E199 HydrophobicContact CE3-CG 4.38Å; W139-E199 HydrophobicContact CH2-CB 3.95Å; W139-E199 HydrophobicContact CH2-CG 3.99Å; W139-E199 HydrophobicContact CZ2-CB 4.35Å; W139-E199 HydrophobicContact CZ2-CG 3.9Å; W139-E199 VanDerWaalsContact CZ2-OE1 3.27Å; W139-E199 WeakPolarHBondContact CZ2-OE1 3.4Å; W139-E199 HydrophobicContact CZ3-CB 3.74Å; W139-E199 HydrophobicContact CZ3-CG 4.21Å; W139-I337 HydrophobicContact CB-CD1 4.27Å; W139-I337 HydrophobicContact CB-CG1 4.31Å; W139-I337 HydrophobicContact CD2-CG1 3.77Å; W139-I337 HydrophobicContact CE3-CG1 4.16Å; W139-I337 HydrophobicContact CG-CD1 4.29Å; W139-I337 HydrophobicContact CG-CG1 3.84Å; W139-I337 HydrophobicContact CG-CG2 4.45Å
140	V	97.8	Very high	90.7	Very high	0 Å²	0	22 Å²	22	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132	176.9	178.4	0	0	0	0	109.2	V120 V133 L134 L197 V198 L200	V120-V140 HydrophobicContact CB-CG1 4.09Å; V120-V140 HydrophobicContact CG1-CG1 4.2Å; V120-V140 HydrophobicContact CG1-CG2 4.31Å; V120-V140 HydrophobicContact CG2-CG1 3.9Å; V120-V140 HydrophobicContact CG2-CG2 3.98Å; V133-V140 CarbonylContact O-C 3.59Å; V133-V140 VanDerWaalsContact O-CA 3.27Å; V133-V140 WeakPolarHBondContact O-CA 3.49Å; L134-V140 HydrophobicContact CD1-CG2 3.9Å; V140-L197 CarbonylContact O-C 3.4Å; V140-L197 WeakPolarHBondContact O-CA 3.35Å; V140-V198 HydrophobicContact CB-CB 4.17Å; V140-V198 PolarHBondContact N-O 2.94Å; V140-V198 PolarHBondContact O-N 2.86Å; V140-L200 HydrophobicContact CG2-CD1 4.29Å; V140-L200 HydrophobicContact CG2-CD2 4.28Å; V140-L200 HydrophobicContact CG2-CG 4.44Å
141	V	98.1	Very high	89.2	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	138.1	168.9	171.3	0	0	0	0	108.8	G132 V133 V135 I195 L197 L304 V307 V333	G132-V141 CarbonylContact C-O 3.56Å; G132-V141 WeakPolarHBondContact CA-O 3.46Å; V133-V141 PolarHBondContact N-O 3.47Å; V133-V141 PolarHBondContact O-N 3.28Å; V135-V141 HydrophobicContact CB-CG2 4.35Å; V135-V141 HydrophobicContact CG1-CB 4.11Å; V135-V141 HydrophobicContact CG1-CG2 3.66Å; V135-V141 HydrophobicContact CG2-CG2 3.77Å; V141-I195 HydrophobicContact CG1-CD1 4.11Å; V141-I195 HydrophobicContact CG1-CG1 4.14Å; V141-L197 HydrophobicContact CB-CD2 4.49Å; V141-L197 HydrophobicContact CG2-CD2 3.5Å; V141-L197 VanDerWaalsContact CG2-CD2 3.5Å; V141-L304 HydrophobicContact CB-CD2 4.2Å; V141-L304 HydrophobicContact CG1-CD2 4.08Å; V141-V307 HydrophobicContact CG1-CG2 3.68Å; V141-V333 HydrophobicContact CG2-CG1 4.42Å
142	T	97.9	Very high	88.3	Confident	0 Å²	0	31 Å²	31	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	-175.5	177.4	-175.8	0	0	0	0	110.1	L122 G131 F147 I195 A196 V198 G289	L122-T142 HydrophobicContact CD1-CG2 3.67Å; L122-T142 WeakPolarHBondContact CD1-OG1 3.49Å; G131-T142 PolarHBondContact O-OG1 3.04Å; T142-F147 HydrophobicContact CG2-CE2 3.56Å; T142-F147 HydrophobicContact CG2-CZ 3.93Å; T142-I195 WeakPolarHBondContact O-CA 3.32Å; T142-A196 HydrophobicContact CG2-CB 4.35Å; T142-A196 PolarHBondContact N-O 2.93Å; T142-A196 PolarHBondContact O-N 3.46Å; T142-V198 HydrophobicContact CG2-CG2 3.87Å; T142-G289 WeakPolarHBondContact OG1-CA 3.45Å
143	A	97.3	Very high	87.6	Confident	0 Å²	0	34 Å²	34	0%	0	21%	0.211	C	C	.	.			trans	-80.5	145.8	176.3	0	0	0	0	0	111.2	V307	A143-V307 HydrophobicContact CB-CG1 4.17Å
144	A	96.5	Very high	86.7	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-73	-33.9	178.7	0	0	0	0	0	112.2	C146 F147 Q182 F186 D194 A196	A144-C146 PolarHBondContact O-N 2.62Å; A144-C146 VanDerWaalsContact O-N 3.17Å; A144-F147 PolarHBondContact O-N 3.48Å; A144-Q182 HydrophobicContact CB-CB 4.33Å; A144-Q182 HydrophobicContact CB-CG 4.18Å; A144-F186 HydrophobicContact CB-CB 4.19Å; A144-F186 HydrophobicContact CB-CD1 3.59Å; A144-F186 HydrophobicContact CB-CD2 3.81Å; A144-F186 HydrophobicContact CB-CE1 3.85Å; A144-F186 HydrophobicContact CB-CE2 4.06Å; A144-F186 HydrophobicContact CB-CG 3.58Å; A144-F186 HydrophobicContact CB-CZ 4.08Å; A144-D194 WeakPolarHBondContact CA-OD1 3.47Å; A144-D194 WeakPolarHBondContact CB-OD1 3.42Å; A144-D194 PolarHBondContact N-OD1 3.34Å; A144-A196 HydrophobicContact CB-CB 4.22Å
145	H	94.7	Very high	86.2	Confident	37 Å²	37	42.8 Å²	42.8	17%	0.171	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-61.9	-24	-179.3	77.3	-103.4	0	0	0	113.2	F147 A148 F186 F191 D194 S288 S309	H145-F147 PolarHBondContact O-N 2.96Å; H145-A148 VanDerWaalsContact O-CB 3.23Å; H145-A148 WeakPolarHBondContact O-CB 3.41Å; H145-A148 PolarHBondContact O-N 3.47Å; H145-F186 HydrophobicContact CB-CZ 3.84Å; H145-F191 HydrophobicContact CB-CD1 3.99Å; H145-F191 HydrophobicContact CB-CE1 3.66Å; H145-F191 AromaticContact CG-CE1 3.82Å; H145-D194 IonicContact CE1-OD2 2.78Å; H145-D194 IonicContact CG-OD1 3.56Å; H145-D194 IonicContact CG-OD2 2.82Å; H145-D194 PolarHBondContact N-OD1 3.38Å; H145-D194 IonicContact ND1-OD1 3.12Å; H145-D194 PolarHBondContact ND1-OD1 2.98Å; H145-D194 IonicContact ND1-OD2 3.05Å; H145-D194 PolarHBondContact ND1-OD2 2.94Å; H145-S288 PolarHBondContact CE1-OG 3.1Å; H145-S288 VanDerWaalsContact NE2-CB 3.27Å; H145-S288 WeakPolarHBondContact NE2-CB 3.49Å; H145-S288 PolarHBondContact NE2-OG 3.03Å; H145-S288 VanDerWaalsContact NE2-OG 3.08Å; H145-S309 PolarHBondContact CE1-O 2.95Å
146	C	93.4	Very high	86.1	Confident	17 Å²	17	42.5 Å²	42.5	12%	0.115	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-54.8	-24.7	172.6	-64.4	0	0	0	0	112.6	C130 A144 W156	C130-C146 HydrophobicContact CB-CB 3.85Å; C130-C146 WeakPolarHBondContact CB-SG 3.29Å; C130-C146 WeakPolarHBondContact SG-CB 3.43Å; C130-C146 CovalentContact SG-SG 2.03Å; C130-C146 PolarHBondContact SG-SG 3.06Å; A144-C146 PolarHBondContact O-N 2.62Å; A144-C146 VanDerWaalsContact O-N 3.17Å; C146-W156 VanDerWaalsContact O-CH2 3.25Å; C146-W156 WeakPolarHBondContact O-CH2 3.43Å; C146-W156 VanDerWaalsContact O-CZ2 3.3Å; C146-W156 WeakPolarHBondContact O-CZ2 3.24Å
147	F	91.8	Very high	86.4	Confident	14 Å²	14	41.5 Å²	41.5	6%	0.061	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-109.2	8.9	-179.2	-49.9	-79	0	0	0	113.1	L122 T142 A144 H145 G149 S150 W156 V180 A196 V198	L122-F147 HydrophobicContact CD1-CZ 4.33Å; T142-F147 HydrophobicContact CG2-CE2 3.56Å; T142-F147 HydrophobicContact CG2-CZ 3.93Å; A144-F147 PolarHBondContact O-N 3.48Å; H145-F147 PolarHBondContact O-N 2.96Å; F147-G149 PolarHBondContact O-N 2.84Å; F147-S150 PolarHBondContact O-N 3.45Å; F147-S150 VanDerWaalsContact O-N 3.14Å; F147-W156 HydrophobicContact CD1-CD2 4.11Å; F147-W156 AromaticContact CD1-CE2 3.55Å; F147-W156 HydrophobicContact CD1-CH2 4.05Å; F147-W156 AromaticContact CD1-CZ2 3.53Å; F147-W156 HydrophobicContact CD1-CZ2 3.53Å; F147-W156 AromaticContact CD1-NE1 3.88Å; F147-W156 AromaticContact CE1-CD2 3.73Å; F147-W156 HydrophobicContact CE1-CD2 3.73Å; F147-W156 AromaticContact CE1-CE2 3.68Å; F147-W156 AromaticContact CE1-CE3 3.89Å; F147-W156 HydrophobicContact CE1-CE3 3.89Å; F147-W156 HydrophobicContact CE1-CG 4.35Å; F147-W156 AromaticContact CE1-CH2 3.97Å; F147-W156 HydrophobicContact CE1-CH2 3.97Å; F147-W156 AromaticContact CE1-CZ2 3.81Å; F147-W156 HydrophobicContact CE1-CZ2 3.81Å; F147-W156 HydrophobicContact CE1-CZ3 4Å; F147-W156 HydrophobicContact CG-CZ2 4.5Å; F147-V180 HydrophobicContact CB-CG1 4.37Å; F147-V180 HydrophobicContact CD1-CB 4.44Å; F147-V180 HydrophobicContact CD1-CG1 3.85Å; F147-V180 HydrophobicContact CD1-CG2 3.96Å; F147-V180 HydrophobicContact CD2-CG1 3.55Å; F147-V180 HydrophobicContact CE1-CG1 3.97Å; F147-V180 HydrophobicContact CE1-CG2 3.73Å; F147-V180 HydrophobicContact CE2-CG1 3.66Å; F147-V180 HydrophobicContact CG-CG1 3.64Å; F147-V180 HydrophobicContact CZ-CG1 3.88Å; F147-V180 HydrophobicContact CZ-CG2 4.17Å; F147-A196 HydrophobicContact CD2-CB 4.17Å; F147-A196 HydrophobicContact CE2-CB 4.05Å; F147-V198 HydrophobicContact CE1-CG2 4.46Å; F147-V198 HydrophobicContact CE2-CG2 4.15Å; F147-V198 HydrophobicContact CZ-CG2 3.58Å
148	A	78.4	Confident	86.9	Confident	62 Å²	62	40 Å²	40	51%	0.512	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	125.1	174.9	0	0	0	0	0	109.7	H145	H145-A148 VanDerWaalsContact O-CB 3.23Å; H145-A148 WeakPolarHBondContact O-CB 3.41Å; H145-A148 PolarHBondContact O-N 3.47Å
149	G	66.9	Low	87.3	Confident	77 Å²	77	38.7 Å²	38.7	79%	0.794	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	101.7	-0.5	-173.4	0	0	0	0	0	115.1	F147	F147-G149 PolarHBondContact O-N 2.84Å
150	S	58.7	Low	87.4	Confident	107 Å²	107	38 Å²	38	75%	0.748	22%	0.224	S	C	*	.			trans	39.5	76.6	166.6	-158.2	0	0	0	0	115.1	F147	F147-S150 PolarHBondContact O-N 3.45Å; F147-S150 VanDerWaalsContact O-N 3.14Å
151	R	63.1	Low	87.2	Confident	149 Å²	149	38.6 Å²	38.6	56%	0.562	23%	0.23	S	C	*	.			trans	-90.3	145.8	163.2	-67.8	173.2	-178.7	-171	4.8	108.7	L124 Y155	L124-R151 HydrophobicContact CD1-CB 4.41Å; L124-R151 VanDerWaalsContact CD2-NH1 3.33Å; R151-Y155 HydrophobicContact CB-CD2 4.43Å
152	S	76.6	Confident	87	Confident	47 Å²	47	39.4 Å²	39.4	33%	0.329	23%	0.234	S	C	.	.			trans	-56.4	144.3	-177.9	-174.7	0	0	0	0	111.6	S154 Y155 R404	S152-S154 WeakPolarHBondContact CB-OG 3.12Å; S152-S154 PolarHBondContact O-N 3.34Å; S152-S154 PolarHBondContact OG-OG 2.96Å; S152-Y155 WeakPolarHBondContact O-CD2 3.38Å; S152-Y155 PolarHBondContact O-N 3.5Å; S152-R404 PolarHBondContact OG-NH2 3.14Å
153	E	83.2	Confident	86.8	Confident	63 Å²	63	41.2 Å²	41.2	29%	0.294	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-57.9	-15.1	178.7	-54.6	92.2	153.7	0	0	113.1	Y155 W156 V177 V180	E153-Y155 PolarHBondContact O-N 2.8Å; E153-W156 PolarHBondContact O-N 2.95Å; E153-V177 HydrophobicContact CB-CG1 4.22Å; E153-V180 HydrophobicContact CG-CG2 4.2Å
154	S	79.7	Confident	86.6	Confident	57 Å²	57	42 Å²	42	40%	0.399	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-61.3	-29.6	171.2	30	0	0	0	0	114.2	S152 R404	S152-S154 WeakPolarHBondContact CB-OG 3.12Å; S152-S154 PolarHBondContact O-N 3.34Å; S152-S154 PolarHBondContact OG-OG 2.96Å; S154-R404 PolarHBondContact OG-NH2 3Å
155	Y	85.3	Confident	86.3	Confident	127 Å²	127	45 Å²	45	50%	0.498	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-84.4	-7.2	-175.1	-62.8	-67.3	0	0	0	112.1	L124 N125 R151 S152 E153	L124-Y155 WeakPolarHBondContact CA-O 3.35Å; N125-Y155 PolarHBondContact N-O 3.46Å; N125-Y155 WeakPolarHBondContact OD1-CB 3.1Å; N125-Y155 WeakPolarHBondContact OD1-CD1 3.46Å; R151-Y155 HydrophobicContact CB-CD2 4.43Å; S152-Y155 WeakPolarHBondContact O-CD2 3.38Å; S152-Y155 PolarHBondContact O-N 3.5Å; E153-Y155 PolarHBondContact O-N 2.8Å
156	W	92.1	Very high	86	Confident	11 Å²	11	47.8 Å²	47.8	4%	0.042	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.1	-176.5	-71.9	94.8	0	0	0	111.6	L122 Q123 L124 M129 C146 F147 E153 V177	L122-W156 HydrophobicContact CB-CE3 4.49Å; L122-W156 HydrophobicContact CB-CZ3 4.25Å; Q123-W156 WeakPolarHBondContact O-CA 3.46Å; Q123-W156 VanDerWaalsContact O-CE3 3.31Å; L124-W156 HydrophobicContact CB-CD2 4.45Å; L124-W156 HydrophobicContact CB-CE3 4.32Å; L124-W156 HydrophobicContact CB-CH2 4.27Å; L124-W156 HydrophobicContact CB-CZ2 4.39Å; L124-W156 HydrophobicContact CB-CZ3 4.24Å; L124-W156 HydrophobicContact CD1-CD2 4Å; L124-W156 HydrophobicContact CD1-CG 4.23Å; L124-W156 HydrophobicContact CD1-CZ2 4.04Å; L124-W156 HydrophobicContact CD2-CZ2 4.43Å; M129-W156 HydrophobicContact CB-CH2 3.9Å; M129-W156 HydrophobicContact CB-CZ3 3.89Å; M129-W156 HydrophobicContact CG-CH2 4.18Å; M129-W156 HydrophobicContact CG-CZ3 4.31Å; C146-W156 VanDerWaalsContact O-CH2 3.25Å; C146-W156 WeakPolarHBondContact O-CH2 3.43Å; C146-W156 VanDerWaalsContact O-CZ2 3.3Å; C146-W156 WeakPolarHBondContact O-CZ2 3.24Å; F147-W156 HydrophobicContact CD1-CD2 4.11Å; F147-W156 AromaticContact CD1-CE2 3.55Å; F147-W156 HydrophobicContact CD1-CH2 4.05Å; F147-W156 AromaticContact CD1-CZ2 3.53Å; F147-W156 HydrophobicContact CD1-CZ2 3.53Å; F147-W156 AromaticContact CD1-NE1 3.88Å; F147-W156 AromaticContact CE1-CD2 3.73Å; F147-W156 HydrophobicContact CE1-CD2 3.73Å; F147-W156 AromaticContact CE1-CE2 3.68Å; F147-W156 AromaticContact CE1-CE3 3.89Å; F147-W156 HydrophobicContact CE1-CE3 3.89Å; F147-W156 HydrophobicContact CE1-CG 4.35Å; F147-W156 AromaticContact CE1-CH2 3.97Å; F147-W156 HydrophobicContact CE1-CH2 3.97Å; F147-W156 AromaticContact CE1-CZ2 3.81Å; F147-W156 HydrophobicContact CE1-CZ2 3.81Å; F147-W156 HydrophobicContact CE1-CZ3 4Å; F147-W156 HydrophobicContact CG-CZ2 4.5Å; E153-W156 PolarHBondContact O-N 2.95Å; W156-V177 HydrophobicContact CB-CB 4.01Å; W156-V177 HydrophobicContact CB-CG2 3.74Å; W156-V177 PolarHBondContact O-N 3.22Å
157	T	94.7	Very high	85.8	Confident	28 Å²	28	52.2 Å²	52.2	17%	0.172	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	146.2	170.9	42.3	0	0	0	0	109.7	Q123 V174 L175	Q123-T157 WeakPolarHBondContact CB-OG1 3.43Å; Q123-T157 PolarHBondContact N-O 3Å; Q123-T157 PolarHBondContact O-N 3.48Å; Q123-T157 PolarHBondContact OE1-OG1 3.01Å; T157-V174 HydrophobicContact CG2-CG1 4.18Å; T157-L175 WeakPolarHBondContact CA-O 3.49Å
158	A	96.9	Very high	85.6	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	116.6	174	0	0	0	0	0	107.8	V120 L122 L175 L200	V120-A158 HydrophobicContact CG1-CB 3.81Å; L122-A158 HydrophobicContact CD2-CB 3.86Å; A158-L175 PolarHBondContact N-O 3.34Å; A158-L175 WeakPolarHBondContact O-CA 3.31Å; A158-L175 WeakPolarHBondContact O-CB 3.32Å; A158-L175 PolarHBondContact O-N 2.91Å; A158-L200 HydrophobicContact CB-CD2 3.62Å
159	V	96.8	Very high	86.1	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.4	176.6	-167.7	0	0	0	0	108.6	V120 N121 Q123 E162 E172 Q173 V174	V120-V159 WeakPolarHBondContact CA-O 2.99Å; N121-V159 HydrophobicContact CB-CB 4.19Å; N121-V159 PolarHBondContact N-O 3.46Å; N121-V159 PolarHBondContact O-N 3.17Å; Q123-V159 HydrophobicContact CG-CG2 4.35Å; V159-E162 HydrophobicContact CG1-CB 4.03Å; V159-E172 HydrophobicContact CG1-CG 3.49Å; V159-E172 VanDerWaalsContact CG1-CG 3.49Å; V159-Q173 WeakPolarHBondContact CA-O 3.21Å; V159-V174 HydrophobicContact CG1-CG2 4.26Å; V159-V174 HydrophobicContact CG2-CG1 4.42Å; V159-V174 HydrophobicContact CG2-CG2 4.16Å
160	V	96.1	Very high	86.9	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.006	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	153.7	177.2	-57.6	0	0	0	0	109.8	V120 E162 E172 Q173 L175 A204 V210	V120-V160 HydrophobicContact CG1-CG1 4.15Å; V120-V160 HydrophobicContact CG2-CG1 4Å; V160-E162 PolarHBondContact O-N 2.88Å; V160-E172 CarbonylContact O-C 3.51Å; V160-E172 WeakPolarHBondContact O-CA 3.41Å; V160-Q173 HydrophobicContact CG2-CB 3.7Å; V160-Q173 HydrophobicContact CG2-CG 4.43Å; V160-Q173 PolarHBondContact N-O 3.04Å; V160-Q173 PolarHBondContact O-N 3.28Å; V160-L175 HydrophobicContact CG1-CD1 4.4Å; V160-L175 HydrophobicContact CG2-CD1 3.9Å; V160-A204 HydrophobicContact CG2-CB 4.26Å; V160-V210 HydrophobicContact CB-CG1 4.15Å; V160-V210 HydrophobicContact CB-CG2 4.41Å; V160-V210 HydrophobicContact CG2-CG1 3.79Å; V160-V210 HydrophobicContact CG2-CG2 4.11Å
161	G	93.9	Very high	88.1	Confident	12 Å²	12	57.2 Å²	57.2	12%	0.124	29%	0.29	C	S	.	.	S	Bend	trans	73.1	5.2	-175.8	0	0	0	0	0	114.2
162	E	94.1	Very high	89.5	Confident	18 Å²	18	51.9 Å²	51.9	8%	0.084	27%	0.271	C	S	.	.			trans	-67.5	137.6	173.1	178.9	60	-99.5	0	0	110.6	N121 V159 V160 D164 I165 W232	N121-E162 HydrophobicContact CB-CG 4.41Å; V159-E162 HydrophobicContact CG1-CB 4.03Å; V160-E162 PolarHBondContact O-N 2.88Å; E162-D164 PolarHBondContact OE1-N 3Å; E162-D164 VanDerWaalsContact OE1-N 3.14Å; E162-I165 HydrophobicContact CG-CG2 4.05Å; E162-I165 PolarHBondContact OE1-N 3.24Å; E162-W232 HydrophobicContact CB-CH2 4.17Å; E162-W232 HydrophobicContact CB-CZ2 3.91Å; E162-W232 HydrophobicContact CG-CH2 4.11Å; E162-W232 HydrophobicContact CG-CZ2 3.53Å; E162-W232 WeakPolarHBondContact O-CZ2 3.04Å
163	F	92.9	Very high	90.3	Very high	37 Å²	37	51.4 Å²	51.4	16%	0.162	26%	0.264	C	S	.	.			trans	-132.1	-49.2	173.1	176.4	-98.3	0	0	0	111.8	A111 L113 D169 W232 V244 V245	A111-F163 VanDerWaalsContact O-CE2 3.23Å; A111-F163 WeakPolarHBondContact O-CE2 3.31Å; A111-F163 WeakPolarHBondContact O-CZ 3.29Å; L113-F163 HydrophobicContact CD1-CB 3.77Å; L113-F163 HydrophobicContact CD1-CD1 3.59Å; L113-F163 HydrophobicContact CD1-CD2 3.95Å; L113-F163 HydrophobicContact CD1-CE1 4.16Å; L113-F163 HydrophobicContact CD1-CE2 4.46Å; L113-F163 HydrophobicContact CD1-CG 3.47Å; L113-F163 VanDerWaalsContact CD1-CG 3.47Å; F163-D169 WeakPolarHBondContact CA-OD2 3.4Å; F163-D169 WeakPolarHBondContact CB-OD2 3.43Å; F163-D169 PolarHBondContact N-OD2 2.98Å; F163-W232 PolarHBondContact O-NE1 3.4Å; F163-W232 VanDerWaalsContact O-NE1 3.16Å; F163-V244 HydrophobicContact CE1-CB 4.11Å; F163-V244 HydrophobicContact CE1-CG1 4.15Å; F163-V244 HydrophobicContact CZ-CB 4.24Å; F163-V244 CarbonylContact O-C 3.48Å; F163-V244 VanDerWaalsContact O-CA 3.27Å; F163-V244 WeakPolarHBondContact O-CA 3.34Å; F163-V245 HydrophobicContact CD2-CB 3.92Å; F163-V245 HydrophobicContact CD2-CG2 3.95Å; F163-V245 HydrophobicContact CE2-CB 4.05Å; F163-V245 PolarHBondContact O-N 2.68Å
164	D	92.5	Very high	90.8	Very high	18 Å²	18	52.5 Å²	52.5	10%	0.096	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-120.8	100.7	-177.5	-178.4	-13.6	0	0	0	111	E162 T166 K167 D169 D243 V244	E162-D164 PolarHBondContact OE1-N 3Å; E162-D164 VanDerWaalsContact OE1-N 3.14Å; D164-T166 PolarHBondContact O-N 2.81Å; D164-T166 WeakPolarHBondContact OD1-CB 3.4Å; D164-T166 PolarHBondContact OD1-N 3.44Å; D164-T166 VanDerWaalsContact OD1-N 3.12Å; D164-T166 PolarHBondContact OD1-OG1 2.87Å; D164-K167 HydrophobicContact CB-CD 4.37Å; D164-K167 HydrophobicContact CB-CG 4Å; D164-K167 PolarHBondContact O-N 3.01Å; D164-K167 WeakPolarHBondContact OD2-CE 3.35Å; D164-K167 IonicContact OD2-NZ 3.78Å; D164-K167 PolarHBondContact OD2-NZ 3.37Å; D164-D169 PolarHBondContact N-OD2 3.24Å; D164-D243 CarbonylContact C-O 3.58Å; D164-D243 VanDerWaalsContact CA-O 3.31Å; D164-D243 WeakPolarHBondContact CA-O 2.94Å; D164-V244 HydrophobicContact CB-CG1 3.99Å
165	I	90.4	Very high	91.4	Very high	63 Å²	63	50.4 Å²	50.4	32%	0.323	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-7.2	-172.4	64.6	170.4	0	0	0	113.7	E162 W232 A242 D243	E162-I165 HydrophobicContact CG-CG2 4.05Å; E162-I165 PolarHBondContact OE1-N 3.24Å; I165-W232 HydrophobicContact CG2-CG 4.23Å; I165-A242 WeakPolarHBondContact CD1-O 2.87Å; I165-D243 WeakPolarHBondContact CG1-O 3.41Å; I165-D243 PolarHBondContact N-O 3.16Å
166	T	88.4	Confident	91.5	Very high	94 Å²	94	48.2 Å²	48.2	58%	0.577	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-10.8	177.7	73.3	0	0	0	0	112.9	D164 D243	D164-T166 PolarHBondContact O-N 2.81Å; D164-T166 WeakPolarHBondContact OD1-CB 3.4Å; D164-T166 PolarHBondContact OD1-N 3.44Å; D164-T166 VanDerWaalsContact OD1-N 3.12Å; D164-T166 PolarHBondContact OD1-OG1 2.87Å; T166-D243 HydrophobicContact CG2-CB 3.76Å
167	K	89.6	Confident	91.5	Very high	110 Å²	110	47.9 Å²	47.9	48%	0.478	25%	0.251	S	S	.	.	S	Bend	trans	-142.6	171.9	-179.2	67.2	-179.5	-172.3	-118.2	0	110.7	D164 D169	D164-K167 HydrophobicContact CB-CD 4.37Å; D164-K167 HydrophobicContact CB-CG 4Å; D164-K167 PolarHBondContact O-N 3.01Å; D164-K167 WeakPolarHBondContact OD2-CE 3.35Å; D164-K167 IonicContact OD2-NZ 3.78Å; D164-K167 PolarHBondContact OD2-NZ 3.37Å; K167-D169 WeakPolarHBondContact CE-OD1 3.43Å
168	K	87.9	Confident	91	Very high	170 Å²	170	46.9 Å²	46.9	74%	0.739	25%	0.245	S	C	*	.			trans	-90.4	121.2	173.9	-172.9	175	-176.1	176.1	0	110.5	E172	K168-E172 WeakPolarHBondContact CA-OE2 3.25Å
169	D	88.8	Confident	90.5	Very high	14 Å²	14	48 Å²	48	8%	0.075	25%	0.249	C	C	.	.			trans	-84.4	152.4	178.9	-78.2	-49.2	0	0	0	112.5	F163 D164 K167 D171 E172	F163-D169 WeakPolarHBondContact CA-OD2 3.4Å; F163-D169 WeakPolarHBondContact CB-OD2 3.43Å; F163-D169 PolarHBondContact N-OD2 2.98Å; D164-D169 PolarHBondContact N-OD2 3.24Å; K167-D169 WeakPolarHBondContact CE-OD1 3.43Å; D169-D171 PolarHBondContact O-N 3.17Å; D169-E172 HydrophobicContact CB-CB 4.16Å; D169-E172 PolarHBondContact N-OE2 3.23Å; D169-E172 VanDerWaalsContact O-CB 3.24Å; D169-E172 WeakPolarHBondContact O-CB 3.49Å; D169-E172 PolarHBondContact O-N 3.45Å
170	P	82.6	Confident	90.3	Very high	128 Å²	128	49.4 Å²	49.4	83%	0.831	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-36.7	-172.5	-25.7	35	0	0	0	115.3
171	D	84.9	Confident	90.1	Very high	53 Å²	53	50.6 Å²	50.6	28%	0.283	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	9.4	-178	-81.1	4.1	0	0	0	112.5	D169 Q173 S207 H209	D169-D171 PolarHBondContact O-N 3.17Å; D171-Q173 PolarHBondContact O-N 2.92Å; D171-S207 WeakPolarHBondContact OD2-CB 3.45Å; D171-S207 PolarHBondContact OD2-OG 3.44Å; D171-H209 HydrophobicContact CB-CB 3.91Å; D171-H209 IonicContact OD2-CE1 2.96Å; D171-H209 IonicContact OD2-CG 2.71Å; D171-H209 IonicContact OD2-ND1 3.8Å; D171-H209 PolarHBondContact OD2-ND1 2.86Å
172	E	92.5	Very high	90.1	Very high	38 Å²	38	53.5 Å²	53.5	18%	0.178	27%	0.274	C	S	.	.			trans	-65.7	127.3	-179.6	-169.5	-164.2	116.9	0	0	111.1	V159 V160 K168 D169	V159-E172 HydrophobicContact CG1-CG 3.49Å; V159-E172 VanDerWaalsContact CG1-CG 3.49Å; V160-E172 CarbonylContact O-C 3.51Å; V160-E172 WeakPolarHBondContact O-CA 3.41Å; K168-E172 WeakPolarHBondContact CA-OE2 3.25Å; D169-E172 HydrophobicContact CB-CB 4.16Å; D169-E172 PolarHBondContact N-OE2 3.23Å; D169-E172 VanDerWaalsContact O-CB 3.24Å; D169-E172 WeakPolarHBondContact O-CB 3.49Å; D169-E172 PolarHBondContact O-N 3.45Å
173	Q	92.8	Very high	90.2	Very high	37 Å²	37	53.7 Å²	53.7	17%	0.173	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118.5	177.4	-62.8	166.9	61.6	0	0	110.2	V159 V160 D171 L175 V205	V159-Q173 WeakPolarHBondContact CA-O 3.21Å; V160-Q173 HydrophobicContact CG2-CB 3.7Å; V160-Q173 HydrophobicContact CG2-CG 4.43Å; V160-Q173 PolarHBondContact N-O 3.04Å; V160-Q173 PolarHBondContact O-N 3.28Å; D171-Q173 PolarHBondContact O-N 2.92Å; Q173-L175 HydrophobicContact CB-CG 4.32Å; Q173-V205 PolarHBondContact NE2-O 2.97Å
174	V	94.3	Very high	90.2	Very high	86 Å²	86	57.2 Å²	57.2	52%	0.521	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	107.1	173.3	-176	0	0	0	0	109.2	T157 V159	T157-V174 HydrophobicContact CG2-CG1 4.18Å; V159-V174 HydrophobicContact CG1-CG2 4.26Å; V159-V174 HydrophobicContact CG2-CG1 4.42Å; V159-V174 HydrophobicContact CG2-CG2 4.16Å
175	L	91.1	Very high	90.3	Very high	13 Å²	13	63.8 Å²	63.8	7%	0.068	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	137.9	-176.1	-58.8	169.3	0	0	0	110.1	T157 A158 V160 Q173 L200 A204	T157-L175 WeakPolarHBondContact CA-O 3.49Å; A158-L175 PolarHBondContact N-O 3.34Å; A158-L175 WeakPolarHBondContact O-CA 3.31Å; A158-L175 WeakPolarHBondContact O-CB 3.32Å; A158-L175 PolarHBondContact O-N 2.91Å; V160-L175 HydrophobicContact CG1-CD1 4.4Å; V160-L175 HydrophobicContact CG2-CD1 3.9Å; Q173-L175 HydrophobicContact CB-CG 4.32Å; L175-L200 HydrophobicContact CB-CD1 4.38Å; L175-L200 HydrophobicContact CB-CD2 4.32Å; L175-L200 HydrophobicContact CD1-CD1 3.69Å; L175-A204 HydrophobicContact CD1-CB 3.65Å
176	K	88.9	Confident	90.5	Very high	80 Å²	80	62.3 Å²	62.3	35%	0.348	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	150.3	178	-65.2	-175.8	172.9	-164.2	0	111.2	L200 T201	K176-L200 WeakPolarHBondContact O-CA 3.44Å; K176-T201 HydrophobicContact CB-CG2 3.81Å; K176-T201 PolarHBondContact O-N 3Å; K176-T201 PolarHBondContact O-OG1 2.89Å
177	V	90.5	Very high	90.8	Very high	5 Å²	5	59.4 Å²	59.4	3%	0.03	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	124.9	173.8	176.4	0	0	0	0	110.7	E153 W156 V180 V198	E153-V177 HydrophobicContact CB-CG1 4.22Å; W156-V177 HydrophobicContact CB-CB 4.01Å; W156-V177 HydrophobicContact CB-CG2 3.74Å; W156-V177 PolarHBondContact O-N 3.22Å; V177-V180 HydrophobicContact CG1-CG2 3.83Å; V177-V198 HydrophobicContact CB-CG1 4.17Å; V177-V198 HydrophobicContact CG1-CG1 3.65Å; V177-V198 HydrophobicContact CG2-CG1 3.54Å
178	N	84.2	Confident	90.8	Very high	7 Å²	7	58.1 Å²	58.1	4%	0.037	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-45	174.3	177.9	56.8	0	0	0	112	E199 T201 T347 C348	N178-E199 WeakPolarHBondContact CB-O 3.4Å; N178-E199 PolarHBondContact N-O 3.29Å; N178-E199 PolarHBondContact ND2-OE2 2.96Å; N178-T201 HydrophobicContact CB-CG2 3.88Å; N178-T347 WeakPolarHBondContact ND2-CB 3.34Å; N178-T347 WeakPolarHBondContact ND2-CG2 3.4Å; N178-T347 WeakPolarHBondContact OD1-CA 3.43Å; N178-T347 WeakPolarHBondContact OD1-CB 3.48Å; N178-C348 PolarHBondContact OD1-N 3.22Å
179	R	87	Confident	90.9	Very high	23 Å²	23	59.3 Å²	59.3	9%	0.087	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	156.5	174.1	59.5	178.1	166.5	146.7	9.9	111.5	I181 E199	R179-I181 HydrophobicContact CG-CG1 4.38Å; R179-E199 HydrophobicContact CG-CB 3.88Å; R179-E199 WeakPolarHBondContact CG-OE2 3.18Å; R179-E199 IonicContact CZ-OE1 3.66Å; R179-E199 IonicContact CZ-OE2 3.73Å; R179-E199 PolarHBondContact N-O 3.05Å; R179-E199 IonicContact NE-OE1 3.99Å; R179-E199 IonicContact NE-OE2 2.7Å; R179-E199 PolarHBondContact NE-OE2 3.02Å; R179-E199 IonicContact NH2-OE1 2.62Å; R179-E199 PolarHBondContact NH2-OE1 3.37Å; R179-E199 IonicContact NH2-OE2 3.73Å; R179-E199 PolarHBondContact NH2-OE2 3.12Å; R179-E199 PolarHBondContact O-N 3.13Å
180	V	92.3	Very high	91	Very high	30 Å²	30	62.3 Å²	62.3	18%	0.182	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.3	171.4	-177.4	0	0	0	0	108.5	F147 E153 V177 Q182 A196 L197 V198	F147-V180 HydrophobicContact CB-CG1 4.37Å; F147-V180 HydrophobicContact CD1-CB 4.44Å; F147-V180 HydrophobicContact CD1-CG1 3.85Å; F147-V180 HydrophobicContact CD1-CG2 3.96Å; F147-V180 HydrophobicContact CD2-CG1 3.55Å; F147-V180 HydrophobicContact CE1-CG1 3.97Å; F147-V180 HydrophobicContact CE1-CG2 3.73Å; F147-V180 HydrophobicContact CE2-CG1 3.66Å; F147-V180 HydrophobicContact CG-CG1 3.64Å; F147-V180 HydrophobicContact CZ-CG1 3.88Å; F147-V180 HydrophobicContact CZ-CG2 4.17Å; E153-V180 HydrophobicContact CG-CG2 4.2Å; V177-V180 HydrophobicContact CG1-CG2 3.83Å; V180-Q182 HydrophobicContact CG1-CG 4.38Å; V180-A196 HydrophobicContact CG1-CB 4.46Å; V180-L197 CarbonylContact C-O 3.54Å; V180-L197 WeakPolarHBondContact CA-O 3.33Å; V180-V198 HydrophobicContact CG2-CG2 4.39Å
181	I	92.1	Very high	91.6	Very high	26 Å²	26	59.4 Å²	59.4	13%	0.133	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	94.1	-179.6	-46.5	176	0	0	0	107.5	W139 R179 A196 L197 W332 E336	W139-I181 HydrophobicContact CH2-CD1 4.05Å; W139-I181 HydrophobicContact CZ3-CD1 3.96Å; R179-I181 HydrophobicContact CG-CG1 4.38Å; I181-A196 CarbonylContact O-C 3.53Å; I181-A196 VanDerWaalsContact O-CA 3.28Å; I181-A196 WeakPolarHBondContact O-CA 3.39Å; I181-L197 HydrophobicContact CB-CB 4.31Å; I181-L197 PolarHBondContact N-O 2.96Å; I181-L197 PolarHBondContact O-N 3.1Å; I181-W332 HydrophobicContact CG2-CZ2 4.1Å; I181-E336 HydrophobicContact CG2-CG 4.46Å
182	Q	94.7	Very high	92	Very high	73 Å²	73	58.7 Å²	58.7	34%	0.341	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	143.5	172.1	-66.3	174.8	65	0	0	109.5	A144 V180 A196	A144-Q182 HydrophobicContact CB-CB 4.33Å; A144-Q182 HydrophobicContact CB-CG 4.18Å; V180-Q182 HydrophobicContact CG1-CG 4.38Å; Q182-A196 HydrophobicContact CG-CB 4.21Å
183	H	95.4	Very high	92.2	Very high	23 Å²	23	57.7 Å²	57.7	11%	0.106	30%	0.298	C	S	.	.			trans	-58.4	130.3	175	-172.8	-88.4	0	0	0	110.1	K185 F186 I195 F329 W332	H183-K185 PolarHBondContact ND1-N 3.46Å; H183-K185 PolarHBondContact O-N 3.01Å; H183-F186 WeakPolarHBondContact O-CB 3.32Å; H183-F186 PolarHBondContact O-N 2.78Å; H183-I195 HydrophobicContact CB-CG2 3.74Å; H183-I195 WeakPolarHBondContact CB-O 3.44Å; H183-I195 PolarHBondContact N-O 3.34Å; H183-F329 AromaticContact CD2-CD1 3.7Å; H183-F329 AromaticContact CD2-CE1 3.89Å; H183-F329 AromaticContact CE1-CE1 3.98Å; H183-F329 AromaticContact NE2-CD1 3.73Å; H183-F329 AromaticContact NE2-CE1 3.73Å; H183-W332 HydrophobicContact CB-CH2 4.22Å; H183-W332 HydrophobicContact CB-CZ2 4.23Å; H183-W332 AromaticContact CD2-CD2 3.59Å; H183-W332 AromaticContact CD2-CE2 3.8Å; H183-W332 AromaticContact CD2-CE3 3.92Å; H183-W332 AromaticContact CD2-CG 3.87Å
184	P	92.8	Very high	92.4	Very high	111 Å²	111	56 Å²	56	72%	0.721	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-18	-169.9	24.4	-35.3	0	0	0	114.1
185	K	95.3	Very high	92.6	Very high	156 Å²	156	51.9 Å²	51.9	68%	0.678	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	14.3	175.9	-55.8	-179.2	179.1	174.9	0	113.1	H183 S187 N193	H183-K185 PolarHBondContact ND1-N 3.46Å; H183-K185 PolarHBondContact O-N 3.01Å; K185-S187 PolarHBondContact O-N 2.86Å; K185-N193 WeakPolarHBondContact CB-ND2 3.49Å; K185-N193 PolarHBondContact O-ND2 3.41Å
186	F	95.1	Very high	92.9	Very high	31 Å²	31	51.2 Å²	51.2	14%	0.136	26%	0.261	C	S	.	.			trans	-61.7	133.5	175.2	171.3	-124.3	0	0	0	110.7	A144 H145 H183 P188 N192 D194	A144-F186 HydrophobicContact CB-CB 4.19Å; A144-F186 HydrophobicContact CB-CD1 3.59Å; A144-F186 HydrophobicContact CB-CD2 3.81Å; A144-F186 HydrophobicContact CB-CE1 3.85Å; A144-F186 HydrophobicContact CB-CE2 4.06Å; A144-F186 HydrophobicContact CB-CG 3.58Å; A144-F186 HydrophobicContact CB-CZ 4.08Å; H145-F186 HydrophobicContact CB-CZ 3.84Å; H183-F186 WeakPolarHBondContact O-CB 3.32Å; H183-F186 PolarHBondContact O-N 2.78Å; F186-P188 HydrophobicContact CE1-CB 4.16Å; F186-P188 HydrophobicContact CZ-CB 4.23Å; F186-N192 WeakPolarHBondContact CA-O 3.43Å; F186-D194 HydrophobicContact CD2-CB 4.05Å; F186-D194 HydrophobicContact CE2-CB 3.77Å; F186-D194 WeakPolarHBondContact CE2-OD1 3.25Å
187	S	93.3	Very high	93.2	Very high	33 Å²	33	47.4 Å²	47.4	23%	0.231	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-115	109.8	176.8	170.9	0	0	0	0	110	K185 K189 T190 F191 N192	K185-S187 PolarHBondContact O-N 2.86Å; S187-K189 PolarHBondContact O-N 3.45Å; S187-T190 VanDerWaalsContact CB-OG1 3.23Å; S187-T190 WeakPolarHBondContact CB-OG1 3.26Å; S187-T190 PolarHBondContact O-N 2.84Å; S187-T190 PolarHBondContact OG-N 3.23Å; S187-T190 PolarHBondContact OG-OG1 2.88Å; S187-F191 VanDerWaalsContact O-CA 3.28Å; S187-F191 WeakPolarHBondContact O-CA 3.46Å; S187-F191 PolarHBondContact O-N 3.49Å; S187-N192 PolarHBondContact N-O 3.11Å
188	P	90.9	Very high	93.5	Very high	84 Å²	84	47.2 Å²	47.2	55%	0.545	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-14.9	179.1	27.8	-35.2	0	0	0	113.3	F186	F186-P188 HydrophobicContact CE1-CB 4.16Å; F186-P188 HydrophobicContact CZ-CB 4.23Å
189	K	89.8	Confident	93.9	Very high	194 Å²	194	47.3 Å²	47.3	84%	0.843	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-32.5	177.7	-67.9	-174.3	178.4	-176.6	0	113.1	S187	S187-K189 PolarHBondContact O-N 3.45Å
190	T	91.3	Very high	93.9	Very high	78 Å²	78	46.6 Å²	46.6	48%	0.479	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-1.4	-172.4	61	0	0	0	0	112.8	S187 N192 M271	S187-T190 VanDerWaalsContact CB-OG1 3.23Å; S187-T190 WeakPolarHBondContact CB-OG1 3.26Å; S187-T190 PolarHBondContact O-N 2.84Å; S187-T190 PolarHBondContact OG-N 3.23Å; S187-T190 PolarHBondContact OG-OG1 2.88Å; T190-N192 PolarHBondContact O-N 2.98Å; T190-N192 WeakPolarHBondContact OG1-CB 3.49Å; T190-M271 WeakPolarHBondContact O-CE 3.48Å
191	F	93.5	Very high	93.3	Very high	66 Å²	66	47.3 Å²	47.3	29%	0.289	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	19.6	-171.6	-63.2	-95.2	0	0	0	113.7	H145 S187 N193 D194 M271 W310	H145-F191 HydrophobicContact CB-CD1 3.99Å; H145-F191 HydrophobicContact CB-CE1 3.66Å; H145-F191 AromaticContact CG-CE1 3.82Å; S187-F191 VanDerWaalsContact O-CA 3.28Å; S187-F191 WeakPolarHBondContact O-CA 3.46Å; S187-F191 PolarHBondContact O-N 3.49Å; F191-N193 PolarHBondContact O-N 2.92Å; F191-D194 HydrophobicContact CB-CB 4.41Å; F191-D194 WeakPolarHBondContact O-CB 3.49Å; F191-D194 PolarHBondContact O-N 3.34Å; F191-M271 WeakPolarHBondContact O-CE 3.48Å; F191-W310 HydrophobicContact CB-CG 4.36Å; F191-W310 HydrophobicContact CG-CG 4.4Å
192	N	94.8	Very high	92.7	Very high	39 Å²	39	48.6 Å²	48.6	21%	0.209	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-71.2	134.8	177.7	-168.7	39.4	0	0	0	109.9	F186 S187 T190 D194 T268 T270 M271	F186-N192 WeakPolarHBondContact CA-O 3.43Å; S187-N192 PolarHBondContact N-O 3.11Å; T190-N192 PolarHBondContact O-N 2.98Å; T190-N192 WeakPolarHBondContact OG1-CB 3.49Å; N192-D194 VanDerWaalsContact C-N 3.32Å; N192-T268 HydrophobicContact CB-CG2 4.49Å; N192-T268 WeakPolarHBondContact OD1-CB 3.42Å; N192-T268 WeakPolarHBondContact OD1-CG2 3.08Å; N192-T268 PolarHBondContact OD1-OG1 2.86Å; N192-T270 PolarHBondContact OD1-OG1 2.7Å; N192-M271 HydrophobicContact CB-CE 4.31Å
193	N	96.2	Very high	92.1	Very high	17 Å²	17	48.8 Å²	48.8	9%	0.091	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	41.9	-174.4	-43	-56	0	0	0	113.1	K185 F191 I195 T270 F329	K185-N193 WeakPolarHBondContact CB-ND2 3.49Å; K185-N193 PolarHBondContact O-ND2 3.41Å; F191-N193 PolarHBondContact O-N 2.92Å; N193-I195 PolarHBondContact O-N 3.07Å; N193-T270 WeakPolarHBondContact OD1-CG2 3.15Å; N193-T270 PolarHBondContact OD1-OG1 2.84Å; N193-F329 HydrophobicContact CB-CE1 3.94Å; N193-F329 HydrophobicContact CB-CZ 3.89Å; N193-F329 WeakPolarHBondContact OD1-CZ 3.01Å
194	D	97.3	Very high	91.5	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.262	C	S	.	.			trans	-76.9	73.2	179.8	-174.8	27.9	0	0	0	111.9	A144 H145 F186 F191 N192 S309 T324	A144-D194 WeakPolarHBondContact CA-OD1 3.47Å; A144-D194 WeakPolarHBondContact CB-OD1 3.42Å; A144-D194 PolarHBondContact N-OD1 3.34Å; H145-D194 IonicContact CE1-OD2 2.78Å; H145-D194 IonicContact CG-OD1 3.56Å; H145-D194 IonicContact CG-OD2 2.82Å; H145-D194 PolarHBondContact N-OD1 3.38Å; H145-D194 IonicContact ND1-OD1 3.12Å; H145-D194 PolarHBondContact ND1-OD1 2.98Å; H145-D194 IonicContact ND1-OD2 3.05Å; H145-D194 PolarHBondContact ND1-OD2 2.94Å; F186-D194 HydrophobicContact CD2-CB 4.05Å; F186-D194 HydrophobicContact CE2-CB 3.77Å; F186-D194 WeakPolarHBondContact CE2-OD1 3.25Å; F191-D194 HydrophobicContact CB-CB 4.41Å; F191-D194 WeakPolarHBondContact O-CB 3.49Å; F191-D194 PolarHBondContact O-N 3.34Å; N192-D194 VanDerWaalsContact C-N 3.32Å; D194-S309 WeakPolarHBondContact CB-OG 2.95Å; D194-S309 WeakPolarHBondContact OD2-CB 3.22Å; D194-S309 PolarHBondContact OD2-OG 2.81Å; D194-T324 WeakPolarHBondContact O-CB 3.43Å; D194-T324 PolarHBondContact O-OG1 3.39Å
195	I	97.6	Very high	91.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.252	C	S	.	.			trans	-141.9	139.4	177.5	-168.4	171.6	0	0	0	110.5	V141 T142 H183 N193 T324 F329 W332 V333	V141-I195 HydrophobicContact CG1-CD1 4.11Å; V141-I195 HydrophobicContact CG1-CG1 4.14Å; T142-I195 WeakPolarHBondContact O-CA 3.32Å; H183-I195 HydrophobicContact CB-CG2 3.74Å; H183-I195 WeakPolarHBondContact CB-O 3.44Å; H183-I195 PolarHBondContact N-O 3.34Å; N193-I195 PolarHBondContact O-N 3.07Å; I195-T324 HydrophobicContact CB-CG2 4.07Å; I195-F329 HydrophobicContact CD1-CB 3.94Å; I195-F329 HydrophobicContact CD1-CD2 4.24Å; I195-F329 HydrophobicContact CD1-CG 4.21Å; I195-F329 HydrophobicContact CG2-CB 4.47Å; I195-F329 HydrophobicContact CG2-CD1 3.88Å; I195-F329 HydrophobicContact CG2-CD2 4.14Å; I195-F329 HydrophobicContact CG2-CE1 4.12Å; I195-F329 HydrophobicContact CG2-CE2 4.39Å; I195-F329 HydrophobicContact CG2-CG 3.89Å; I195-F329 HydrophobicContact CG2-CZ 4.37Å; I195-W332 HydrophobicContact CD1-CZ3 4.39Å; I195-W332 HydrophobicContact CG1-CZ3 4.21Å; I195-W332 HydrophobicContact CG2-CE3 4.36Å; I195-W332 HydrophobicContact CG2-CZ3 3.91Å; I195-V333 HydrophobicContact CD1-CG2 4.18Å
196	A	97.1	Very high	90.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	154.6	175	0	0	0	0	0	111.4	T142 A144 F147 V180 I181 Q182	T142-A196 HydrophobicContact CG2-CB 4.35Å; T142-A196 PolarHBondContact N-O 2.93Å; T142-A196 PolarHBondContact O-N 3.46Å; A144-A196 HydrophobicContact CB-CB 4.22Å; F147-A196 HydrophobicContact CD2-CB 4.17Å; F147-A196 HydrophobicContact CE2-CB 4.05Å; V180-A196 HydrophobicContact CG1-CB 4.46Å; I181-A196 CarbonylContact O-C 3.53Å; I181-A196 VanDerWaalsContact O-CA 3.28Å; I181-A196 WeakPolarHBondContact O-CA 3.39Å; Q182-A196 HydrophobicContact CG-CB 4.21Å
197	L	96.8	Very high	90.1	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	137.8	169.1	-70.4	171.6	0	0	0	110.3	W139 V140 V141 V180 I181 W332 V333 E336	W139-L197 HydrophobicContact CE3-CB 4.13Å; W139-L197 HydrophobicContact CE3-CD1 4.43Å; W139-L197 HydrophobicContact CZ3-CB 4.02Å; W139-L197 HydrophobicContact CZ3-CD1 4.24Å; V140-L197 CarbonylContact O-C 3.4Å; V140-L197 WeakPolarHBondContact O-CA 3.35Å; V141-L197 HydrophobicContact CB-CD2 4.49Å; V141-L197 HydrophobicContact CG2-CD2 3.5Å; V141-L197 VanDerWaalsContact CG2-CD2 3.5Å; V180-L197 CarbonylContact C-O 3.54Å; V180-L197 WeakPolarHBondContact CA-O 3.33Å; I181-L197 HydrophobicContact CB-CB 4.31Å; I181-L197 PolarHBondContact N-O 2.96Å; I181-L197 PolarHBondContact O-N 3.1Å; L197-W332 HydrophobicContact CD1-CH2 4.18Å; L197-W332 HydrophobicContact CD1-CZ3 4.25Å; L197-W332 HydrophobicContact CG-CH2 4.02Å; L197-W332 HydrophobicContact CG-CZ3 4.09Å; L197-V333 HydrophobicContact CD2-CG1 4.12Å; L197-V333 HydrophobicContact CD2-CG2 4.48Å; L197-E336 HydrophobicContact CD1-CB 3.4Å; L197-E336 HydrophobicContact CD1-CG 3.97Å
198	V	96	Very high	89.6	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.3	173.1	179.4	0	0	0	0	107.2	V140 T142 F147 V177 V180 L200	V140-V198 HydrophobicContact CB-CB 4.17Å; V140-V198 PolarHBondContact N-O 2.94Å; V140-V198 PolarHBondContact O-N 2.86Å; T142-V198 HydrophobicContact CG2-CG2 3.87Å; F147-V198 HydrophobicContact CE1-CG2 4.46Å; F147-V198 HydrophobicContact CE2-CG2 4.15Å; F147-V198 HydrophobicContact CZ-CG2 3.58Å; V177-V198 HydrophobicContact CB-CG1 4.17Å; V177-V198 HydrophobicContact CG1-CG1 3.65Å; V177-V198 HydrophobicContact CG2-CG1 3.54Å; V180-V198 HydrophobicContact CG2-CG2 4.39Å; V198-L200 HydrophobicContact CG1-CD2 4.44Å
199	E	91.8	Very high	89.5	Confident	10 Å²	10	46.3 Å²	46.3	5%	0.047	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	127.4	174.1	-170.5	-173.7	-123.9	0	0	108.7	W139 N178 R179	W139-E199 HydrophobicContact CD2-CB 4.44Å; W139-E199 HydrophobicContact CD2-CG 4.35Å; W139-E199 HydrophobicContact CE3-CB 4Å; W139-E199 HydrophobicContact CE3-CG 4.38Å; W139-E199 HydrophobicContact CH2-CB 3.95Å; W139-E199 HydrophobicContact CH2-CG 3.99Å; W139-E199 HydrophobicContact CZ2-CB 4.35Å; W139-E199 HydrophobicContact CZ2-CG 3.9Å; W139-E199 VanDerWaalsContact CZ2-OE1 3.27Å; W139-E199 WeakPolarHBondContact CZ2-OE1 3.4Å; W139-E199 HydrophobicContact CZ3-CB 3.74Å; W139-E199 HydrophobicContact CZ3-CG 4.21Å; N178-E199 WeakPolarHBondContact CB-O 3.4Å; N178-E199 PolarHBondContact N-O 3.29Å; N178-E199 PolarHBondContact ND2-OE2 2.96Å; R179-E199 HydrophobicContact CG-CB 3.88Å; R179-E199 WeakPolarHBondContact CG-OE2 3.18Å; R179-E199 IonicContact CZ-OE1 3.66Å; R179-E199 IonicContact CZ-OE2 3.73Å; R179-E199 PolarHBondContact N-O 3.05Å; R179-E199 IonicContact NE-OE1 3.99Å; R179-E199 IonicContact NE-OE2 2.7Å; R179-E199 PolarHBondContact NE-OE2 3.02Å; R179-E199 IonicContact NH2-OE1 2.62Å; R179-E199 PolarHBondContact NH2-OE1 3.37Å; R179-E199 IonicContact NH2-OE2 3.73Å; R179-E199 PolarHBondContact NH2-OE2 3.12Å; R179-E199 PolarHBondContact O-N 3.13Å
200	L	87.5	Confident	89.5	Confident	7 Å²	7	37.1 Å²	37.1	4%	0.037	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	151.8	-179.7	-54.1	178.7	0	0	0	110.7	L134 S138 V140 A158 L175 K176 V198 S202	L134-L200 HydrophobicContact CD1-CD1 4.4Å; S138-L200 PolarHBondContact O-N 2.87Å; V140-L200 HydrophobicContact CG2-CD1 4.29Å; V140-L200 HydrophobicContact CG2-CD2 4.28Å; V140-L200 HydrophobicContact CG2-CG 4.44Å; A158-L200 HydrophobicContact CB-CD2 3.62Å; L175-L200 HydrophobicContact CB-CD1 4.38Å; L175-L200 HydrophobicContact CB-CD2 4.32Å; L175-L200 HydrophobicContact CD1-CD1 3.69Å; K176-L200 WeakPolarHBondContact O-CA 3.44Å; V198-L200 HydrophobicContact CG1-CD2 4.44Å; L200-S202 WeakPolarHBondContact CB-O 3.44Å; L200-S202 PolarHBondContact O-N 3.39Å
201	T	80.5	Confident	89.5	Confident	46 Å²	46	34.8 Å²	34.8	28%	0.282	19%	0.194	S	C	.	.	S	Bend	trans	-68.9	-24.2	176.1	53.5	0	0	0	0	113.3	K176 N178 P349	K176-T201 HydrophobicContact CB-CG2 3.81Å; K176-T201 PolarHBondContact O-N 3Å; K176-T201 PolarHBondContact O-OG1 2.89Å; N178-T201 HydrophobicContact CB-CG2 3.88Å; T201-P349 WeakPolarHBondContact O-CG 3.46Å
202	S	78.1	Confident	89.5	Confident	53 Å²	53	31.9 Å²	31.9	37%	0.371	18%	0.182	S	C	.	.	S	Bend	trans	-145.6	147.2	178.9	50.3	0	0	0	0	108.8	L200	L200-S202 WeakPolarHBondContact CB-O 3.44Å; L200-S202 PolarHBondContact O-N 3.39Å
203	P	82	Confident	89.5	Confident	77 Å²	77	30 Å²	30	50%	0.5	17%	0.172	S	C	.	.			trans	-61.1	139.7	175.1	25.1	-32.8	0	0	0	110.5	S137 S138	S137-P203 CarbonylContact O-C 3.54Å; S137-P203 WeakPolarHBondContact O-CA 3.44Å; S138-P203 WeakPolarHBondContact OG-CA 3.35Å; S138-P203 WeakPolarHBondContact OG-CB 3.37Å
204	A	83.4	Confident	89.2	Confident	6 Å²	6	29.8 Å²	29.8	5%	0.05	17%	0.172	C	C	.	.			trans	-61.9	137.1	168.2	0	0	0	0	0	110	L134 S137 V160 L175 L206 V210	L134-A204 HydrophobicContact CD2-CB 4.44Å; S137-A204 WeakPolarHBondContact O-CB 3.35Å; S137-A204 PolarHBondContact O-N 3.38Å; V160-A204 HydrophobicContact CG2-CB 4.26Å; L175-A204 HydrophobicContact CD1-CB 3.65Å; A204-L206 PolarHBondContact O-N 2.6Å; A204-V210 HydrophobicContact CB-CG1 4.1Å
205	V	84.5	Confident	88.8	Confident	82 Å²	82	32.5 Å²	32.5	50%	0.497	19%	0.186	S	C	.	.			trans	-75	113.6	172.9	-177.4	0	0	0	0	107.4	Q173 S207	Q173-V205 PolarHBondContact NE2-O 2.97Å; V205-S207 PolarHBondContact O-N 3.12Å
206	L	85.1	Confident	88	Confident	98 Å²	98	32.8 Å²	32.8	51%	0.513	19%	0.188	S	C	.	.			trans	-69.1	134	-178.7	-56.1	-176	0	0	0	110.4	A204 V210	A204-L206 PolarHBondContact O-N 2.6Å; L206-V210 CarbonylContact C-O 3.51Å; L206-V210 VanDerWaalsContact CA-O 3.27Å; L206-V210 WeakPolarHBondContact CA-O 3.27Å
207	S	84.4	Confident	86.6	Confident	34 Å²	34	37.9 Å²	37.9	24%	0.238	22%	0.223	C	C	.	.			trans	-142.2	-175.3	179.2	83	0	0	0	0	110.5	D171 V205 H209 V210 T211	D171-S207 WeakPolarHBondContact OD2-CB 3.45Å; D171-S207 PolarHBondContact OD2-OG 3.44Å; V205-S207 PolarHBondContact O-N 3.12Å; S207-H209 PolarHBondContact O-N 3.07Å; S207-H209 PolarHBondContact OG-N 3.03Å; S207-H209 VanDerWaalsContact OG-N 3.11Å; S207-V210 PolarHBondContact N-O 2.92Å; S207-V210 CarbonylContact O-C 3.5Å; S207-V210 PolarHBondContact O-N 3.21Å; S207-V210 VanDerWaalsContact O-O 3.12Å; S207-V210 PolarHBondContact OG-N 2.72Å; S207-T211 WeakPolarHBondContact O-CG2 3.46Å
208	E	83.6	Confident	85	Confident	116 Å²	116	40.1 Å²	40.1	54%	0.542	25%	0.246	S	C	.	.	S	Bend	trans	-60.4	-31.7	172.6	-168.1	174.1	166.7	0	0	112.8	S92	S92-E208 WeakPolarHBondContact CB-OE1 3.5Å; S92-E208 WeakPolarHBondContact OG-CG 3.44Å; S92-E208 PolarHBondContact OG-OE1 3.16Å
209	H	88.1	Confident	84	Confident	50 Å²	50	45.5 Å²	45.5	23%	0.231	28%	0.279	C	S	.	.	S	Bend	trans	-101.7	-0.5	-179	-52.2	94.3	0	0	0	113	G114 P117 D171 S207	G114-H209 VanDerWaalsContact CA-CD2 3.44Å; G114-H209 WeakPolarHBondContact CA-CD2 3.34Å; P117-H209 WeakPolarHBondContact CA-O 3.43Å; P117-H209 VanDerWaalsContact CB-C 3.44Å; P117-H209 WeakPolarHBondContact CB-O 3.37Å; D171-H209 HydrophobicContact CB-CB 3.91Å; D171-H209 IonicContact OD2-CE1 2.96Å; D171-H209 IonicContact OD2-CG 2.71Å; D171-H209 IonicContact OD2-ND1 3.8Å; D171-H209 PolarHBondContact OD2-ND1 2.86Å; S207-H209 PolarHBondContact O-N 3.07Å; S207-H209 PolarHBondContact OG-N 3.03Å; S207-H209 VanDerWaalsContact OG-N 3.11Å
210	V	90.7	Very high	83.5	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	29%	0.289	C	S	.	.			trans	-136	95.9	-179.4	-175.2	0	0	0	0	110	P117 L134 V160 A204 L206 S207	P117-V210 VanDerWaalsContact O-CA 3.31Å; P117-V210 WeakPolarHBondContact O-CA 3.36Å; L134-V210 HydrophobicContact CD2-CG1 4.04Å; V160-V210 HydrophobicContact CB-CG1 4.15Å; V160-V210 HydrophobicContact CB-CG2 4.41Å; V160-V210 HydrophobicContact CG2-CG1 3.79Å; V160-V210 HydrophobicContact CG2-CG2 4.11Å; A204-V210 HydrophobicContact CB-CG1 4.1Å; L206-V210 CarbonylContact C-O 3.51Å; L206-V210 VanDerWaalsContact CA-O 3.27Å; L206-V210 WeakPolarHBondContact CA-O 3.27Å; S207-V210 PolarHBondContact N-O 2.92Å; S207-V210 CarbonylContact O-C 3.5Å; S207-V210 PolarHBondContact O-N 3.21Å; S207-V210 VanDerWaalsContact O-O 3.12Å; S207-V210 PolarHBondContact OG-N 2.72Å
211	T	90.4	Very high	83.4	Confident	30 Å²	30	47.6 Å²	47.6	18%	0.184	29%	0.291	C	S	.	.			trans	-144.3	146.8	176.2	59.5	0	0	0	0	111.2	P117 W118 S207	P117-T211 CarbonylContact C-O 3.56Å; P117-T211 WeakPolarHBondContact CB-OG1 3.31Å; P117-T211 VanDerWaalsContact CG-OG1 3.25Å; P117-T211 WeakPolarHBondContact CG-OG1 3.47Å; P117-T211 PolarHBondContact O-N 3.42Å; W118-T211 VanDerWaalsContact CA-O 3.24Å; W118-T211 WeakPolarHBondContact CA-O 3.31Å; W118-T211 VanDerWaalsContact CB-O 3.26Å; W118-T211 WeakPolarHBondContact CB-O 3.42Å; W118-T211 PolarHBondContact N-O 3.38Å; S207-T211 WeakPolarHBondContact O-CG2 3.46Å
212	P	93.6	Very high	83.8	Confident	4 Å²	4	49.5 Å²	49.5	3%	0.026	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-73	150.3	179.8	29.8	-34.7	0	0	0	112.2	C88 G89 L134	C88-P212 CarbonylContact C-O 3Å; C88-P212 VanDerWaalsContact CA-O 3.26Å; C88-P212 WeakPolarHBondContact CA-O 3.24Å; G89-P212 PolarHBondContact N-O 2.93Å; L134-P212 CarbonylContact O-C 3.58Å; L134-P212 VanDerWaalsContact O-CA 3.25Å; L134-P212 WeakPolarHBondContact O-CA 3.36Å
213	V	93.8	Very high	84.4	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.006	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-84.4	154.8	169	75.2	0	0	0	0	111	W118 V133 L134 V135 I293 F302 L304	W118-V213 HydrophobicContact CB-CB 3.93Å; W118-V213 HydrophobicContact CD2-CB 3.8Å; W118-V213 HydrophobicContact CD2-CG2 4.01Å; W118-V213 HydrophobicContact CE3-CB 4.12Å; W118-V213 HydrophobicContact CE3-CG2 4.32Å; W118-V213 HydrophobicContact CG-CB 3.71Å; W118-V213 HydrophobicContact CG-CG2 4.31Å; V133-V213 HydrophobicContact CG1-CB 4.33Å; V133-V213 HydrophobicContact CG1-CG1 3.46Å; V133-V213 VanDerWaalsContact CG1-CG1 3.46Å; L134-V213 PolarHBondContact O-N 3.4Å; V135-V213 HydrophobicContact CG1-CG1 4.1Å; V213-I293 HydrophobicContact CG2-CD1 3.92Å; V213-F302 HydrophobicContact CG2-CB 4.47Å; V213-F302 WeakPolarHBondContact CG2-O 3.34Å; V213-L304 HydrophobicContact CG1-CB 3.76Å; V213-L304 HydrophobicContact CG1-CD2 4.44Å; V213-L304 HydrophobicContact CG2-CB 4.45Å
214	C	90.3	Very high	84.9	Confident	12 Å²	12	50.2 Å²	50.2	8%	0.081	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-76.3	139.4	174.2	-59.4	0	0	0	0	111.4	C88 F302 Q303 L304	C88-C214 HydrophobicContact CB-CB 4.04Å; C88-C214 WeakPolarHBondContact CB-SG 3.44Å; C88-C214 PolarHBondContact O-SG 2.96Å; C88-C214 WeakPolarHBondContact SG-CA 3.36Å; C88-C214 WeakPolarHBondContact SG-CB 3.39Å; C88-C214 CovalentContact SG-SG 2.05Å; C88-C214 PolarHBondContact SG-SG 3.28Å; C214-F302 PolarHBondContact N-O 3.04Å; C214-Q303 HydrophobicContact CB-CG 4.01Å; C214-Q303 CarbonylContact O-C 3.57Å; C214-Q303 VanDerWaalsContact O-CA 3.29Å; C214-Q303 WeakPolarHBondContact O-CA 3.42Å; C214-L304 PolarHBondContact O-N 2.82Å
215	L	88.5	Confident	85.2	Confident	56 Å²	56	50.5 Å²	50.5	29%	0.293	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-76	149.7	166.1	-70.6	174.3	0	0	0	110.5	V135 V326 V333	V135-L215 HydrophobicContact CB-CD2 4.34Å; V135-L215 HydrophobicContact CB-CG 4.4Å; V135-L215 HydrophobicContact CG1-CD2 3.86Å; V135-L215 HydrophobicContact CG1-CG 4.39Å; L215-V326 HydrophobicContact CD2-CG1 4.18Å; L215-V333 HydrophobicContact CD1-CG1 3.7Å; L215-V333 HydrophobicContact CD2-CG1 4.44Å
216	P	82.2	Confident	85.5	Confident	7 Å²	7	48.1 Å²	48.1	5%	0.045	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-77.4	142.1	-175.5	31.5	-32.1	0	0	0	110.9	G218 L304 F305 V326 S330	P216-G218 PolarHBondContact O-N 3.38Å; P216-L304 WeakPolarHBondContact CD-O 3.27Å; P216-L304 VanDerWaalsContact CG-O 3.32Å; P216-L304 WeakPolarHBondContact CG-O 3.47Å; P216-F305 HydrophobicContact CB-CD1 3.94Å; P216-F305 HydrophobicContact CB-CE1 3.45Å; P216-F305 VanDerWaalsContact CB-CE1 3.45Å; P216-F305 HydrophobicContact CB-CE2 4.17Å; P216-F305 HydrophobicContact CB-CG 4.46Å; P216-F305 HydrophobicContact CB-CZ 3.62Å; P216-F305 HydrophobicContact CG-CD1 4.48Å; P216-F305 HydrophobicContact CG-CE1 4.4Å; P216-V326 HydrophobicContact CG-CB 4.36Å; P216-V326 HydrophobicContact CG-CG1 4.01Å; P216-S330 PolarHBondContact O-OG 2.9Å
217	S	66.4	Low	85.9	Confident	107 Å²	107	43.5 Å²	43.5	75%	0.748	29%	0.286	S	S	*	.			trans	-81.2	29.4	179.8	62.5	0	0	0	0	113.8	V219	S217-V219 PolarHBondContact O-N 2.76Å
218	G	63	Low	86.4	Confident	47 Å²	47	43.6 Å²	43.6	49%	0.485	28%	0.283	S	S	.	.	S	Bend	trans	85.4	-13.6	174.8	0	0	0	0	0	116.8	P216	P216-G218 PolarHBondContact O-N 3.38Å
219	V	75.6	Confident	86.9	Confident	113 Å²	113	38.3 Å²	38.3	69%	0.685	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-97.4	118.3	175.7	-177.5	0	0	0	0	109.7	S217 F305	S217-V219 PolarHBondContact O-N 2.76Å; V219-F305 WeakPolarHBondContact O-CE1 3.43Å; V219-F305 WeakPolarHBondContact O-CZ 3.41Å
220	D	81.3	Confident	87.2	Confident	49 Å²	49	36.2 Å²	36.2	26%	0.262	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-70	148	175.8	-66.6	-36.8	0	0	0	112.1	R325 S327	D220-R325 IonicContact OD2-CZ 3.48Å; D220-R325 IonicContact OD2-NE 2.69Å; D220-R325 IonicContact OD2-NH1 3.42Å; D220-R325 PolarHBondContact OD2-NH1 3.17Å; D220-S327 VanDerWaalsContact OD1-CB 3.32Å; D220-S327 WeakPolarHBondContact OD1-CB 3.41Å; D220-S327 PolarHBondContact OD1-OG 3.29Å
221	P	85.3	Confident	87.3	Confident	11 Å²	11	36.3 Å²	36.3	7%	0.071	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-64.3	151.6	175.7	24.9	-31.3	0	0	0	110.3	T223 L252 Y294 F305	P221-T223 PolarHBondContact O-N 2.96Å; P221-L252 HydrophobicContact CG-CD2 4.04Å; P221-L252 WeakPolarHBondContact O-CD2 3.41Å; P221-Y294 HydrophobicContact CB-CD1 3.86Å; P221-Y294 HydrophobicContact CB-CD2 3.77Å; P221-Y294 HydrophobicContact CB-CE1 3.9Å; P221-Y294 HydrophobicContact CB-CE2 3.83Å; P221-Y294 HydrophobicContact CB-CG 3.78Å; P221-Y294 HydrophobicContact CG-CD1 4.37Å; P221-Y294 HydrophobicContact CG-CD2 4.26Å; P221-Y294 HydrophobicContact CG-CG 4.04Å; P221-F305 HydrophobicContact CG-CD1 4.23Å; P221-F305 HydrophobicContact CG-CD2 4.37Å; P221-F305 HydrophobicContact CG-CE1 4.47Å; P221-F305 HydrophobicContact CG-CG 4.16Å
222	P	89	Confident	87.4	Confident	87 Å²	87	35 Å²	35	57%	0.565	24%	0.243	S	C	*	.	P	Polyproline II helix	trans	-55.9	141.6	177.4	-24.2	33.1	0	0	0	111.7	S225	P222-S225 WeakPolarHBondContact O-CB 3.48Å; P222-S225 PolarHBondContact O-N 3.31Å; P222-S225 PolarHBondContact O-OG 2.92Å
223	T	91.8	Very high	86.9	Confident	91 Å²	91	34.8 Å²	34.8	56%	0.558	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	144	172.1	55.3	0	0	0	0	111	P221 S225 P254	P221-T223 PolarHBondContact O-N 2.96Å; T223-S225 PolarHBondContact O-N 3.21Å; T223-P254 HydrophobicContact CG2-CB 4.2Å; T223-P254 HydrophobicContact CG2-CG 4.16Å
224	G	91	Very high	86.3	Confident	54 Å²	54	35.2 Å²	35.2	56%	0.557	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.9	-7.1	-171.8	0	0	0	0	0	114.3	G226 L252	G224-G226 PolarHBondContact O-N 2.86Å; G224-L252 WeakPolarHBondContact CA-O 3.37Å; G224-L252 PolarHBondContact N-O 3.33Å
225	S	91.2	Very high	85.5	Confident	12 Å²	12	35.8 Å²	35.8	8%	0.084	25%	0.247	C	C	.	.			trans	-59.8	135.3	172.6	-67.2	0	0	0	0	110.8	P222 T223 C227 P251 L252	P222-S225 WeakPolarHBondContact O-CB 3.48Å; P222-S225 PolarHBondContact O-N 3.31Å; P222-S225 PolarHBondContact O-OG 2.92Å; T223-S225 PolarHBondContact O-N 3.21Å; S225-C227 PolarHBondContact O-N 3.38Å; S225-P251 WeakPolarHBondContact O-CA 3.46Å; S225-L252 PolarHBondContact O-N 3.46Å
226	G	91.1	Very high	84.7	Confident	32 Å²	32	39.1 Å²	39.1	33%	0.33	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	110.6	175	0	0	0	0	0	110.7	G224	G224-G226 PolarHBondContact O-N 2.86Å
227	C	93.5	Very high	84.4	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.007	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	163.6	171.5	-62	0	0	0	0	110.3	S225 K249 V250 L292 I293	S225-C227 PolarHBondContact O-N 3.38Å; C227-K249 CarbonylContact O-C 3.47Å; C227-K249 VanDerWaalsContact O-CA 3.31Å; C227-K249 WeakPolarHBondContact O-CA 3.11Å; C227-K249 WeakPolarHBondContact O-CG 3.29Å; C227-V250 HydrophobicContact CB-CG2 4.37Å; C227-V250 PolarHBondContact N-O 3.1Å; C227-V250 PolarHBondContact O-N 3.12Å; C227-L292 HydrophobicContact CB-CD1 3.52Å; C227-L292 HydrophobicContact CB-CG 3.91Å; C227-I293 CarbonylContact C-O 3.58Å; C227-I293 VanDerWaalsContact CA-O 3.24Å; C227-I293 WeakPolarHBondContact CA-O 3.45Å; C227-I293 WeakPolarHBondContact CB-O 3.16Å
228	L	93.9	Very high	84.9	Confident	36 Å²	36	44.6 Å²	44.6	19%	0.188	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	137.1	177.7	-59.5	171.7	0	0	0	109.4	W116 A248 K249 I293 F302	W116-L228 HydrophobicContact CH2-CB 3.6Å; W116-L228 HydrophobicContact CZ2-CB 3.88Å; L228-A248 WeakPolarHBondContact CA-O 2.98Å; L228-K249 HydrophobicContact CD2-CB 4.07Å; L228-K249 HydrophobicContact CD2-CG 4.18Å; L228-I293 HydrophobicContact CB-CB 4.48Å; L228-I293 PolarHBondContact N-O 2.82Å; L228-I293 PolarHBondContact O-N 3.22Å; L228-F302 HydrophobicContact CD1-CE1 4.07Å
229	V	94.3	Very high	85.5	Confident	5 Å²	5	43.1 Å²	43.1	3%	0.03	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	151.7	170.4	-63.8	0	0	0	0	109.4	E247 A248 V250 P291 L292 Y323	V229-E247 CarbonylContact O-C 3.59Å; V229-E247 VanDerWaalsContact O-CA 3.26Å; V229-E247 WeakPolarHBondContact O-CA 3.41Å; V229-A248 HydrophobicContact CG2-CB 3.81Å; V229-A248 PolarHBondContact N-O 3.4Å; V229-A248 PolarHBondContact O-N 2.99Å; V229-V250 HydrophobicContact CG1-CG2 3.89Å; V229-V250 HydrophobicContact CG2-CG1 4.48Å; V229-P291 WeakPolarHBondContact CA-O 3.4Å; V229-L292 HydrophobicContact CG1-CB 4.47Å; V229-L292 HydrophobicContact CG1-CD1 3.42Å; V229-L292 VanDerWaalsContact CG1-CD1 3.42Å; V229-Y323 HydrophobicContact CG1-CE1 4.03Å
230	A	94	Very high	85.8	Confident	5 Å²	5	41.2 Å²	41.2	4%	0.041	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	155.5	172.3	0	0	0	0	0	112.6	W116 L119 V245 M246 E247	W116-A230 HydrophobicContact CD2-CB 3.42Å; W116-A230 VanDerWaalsContact CD2-CB 3.42Å; W116-A230 HydrophobicContact CE3-CB 3.75Å; W116-A230 HydrophobicContact CG-CB 3.93Å; W116-A230 HydrophobicContact CH2-CB 3.78Å; W116-A230 HydrophobicContact CZ2-CB 3.49Å; W116-A230 VanDerWaalsContact CZ2-CB 3.49Å; W116-A230 HydrophobicContact CZ3-CB 3.9Å; L119-A230 HydrophobicContact CD2-CB 4.47Å; A230-V245 HydrophobicContact CB-CG1 4.17Å; A230-M246 WeakPolarHBondContact CA-O 3.37Å; A230-M246 WeakPolarHBondContact CB-O 3.44Å; A230-E247 HydrophobicContact CB-CB 4.24Å
231	G	93.8	Very high	85.9	Confident	3 Å²	3	41.8 Å²	41.8	3%	0.031	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173	-170.9	178.2	0	0	0	0	0	112.5	M246 D287	G231-M246 PolarHBondContact N-O 3.25Å; G231-M246 VanDerWaalsContact N-O 3.1Å; G231-M246 PolarHBondContact O-N 2.91Å; G231-D287 VanDerWaalsContact CA-OD1 3.31Å; G231-D287 WeakPolarHBondContact CA-OD1 3.35Å
232	W	92.6	Very high	86	Confident	1 Å²	1	41.5 Å²	41.5	0%	0.004	26%	0.255	C	S	.	.	S	Bend	trans	-113.7	16.6	176.6	-60.5	-91.4	0	0	0	111.8	L119 N121 L128 E162 F163 I165 S241 A242 V245 D287	L119-W232 HydrophobicContact CD1-CZ3 4.41Å; L119-W232 HydrophobicContact CD2-CE3 4.2Å; L119-W232 HydrophobicContact CD2-CH2 3.48Å; L119-W232 VanDerWaalsContact CD2-CH2 3.48Å; L119-W232 HydrophobicContact CD2-CZ2 4.06Å; L119-W232 HydrophobicContact CD2-CZ3 3.56Å; L119-W232 HydrophobicContact CG-CH2 3.68Å; L119-W232 HydrophobicContact CG-CZ3 3.63Å; N121-W232 HydrophobicContact CB-CE3 4.32Å; N121-W232 HydrophobicContact CB-CH2 4Å; N121-W232 HydrophobicContact CB-CZ3 3.77Å; L128-W232 HydrophobicContact CD2-CB 3.62Å; L128-W232 HydrophobicContact CD2-CG 4.49Å; E162-W232 HydrophobicContact CB-CH2 4.17Å; E162-W232 HydrophobicContact CB-CZ2 3.91Å; E162-W232 HydrophobicContact CG-CH2 4.11Å; E162-W232 HydrophobicContact CG-CZ2 3.53Å; E162-W232 WeakPolarHBondContact O-CZ2 3.04Å; F163-W232 PolarHBondContact O-NE1 3.4Å; F163-W232 VanDerWaalsContact O-NE1 3.16Å; I165-W232 HydrophobicContact CG2-CG 4.23Å; W232-S241 WeakPolarHBondContact O-CB 3.39Å; W232-A242 PolarHBondContact O-N 3.14Å; W232-A242 VanDerWaalsContact O-N 3.12Å; W232-V245 HydrophobicContact CD2-CG2 4.32Å; W232-V245 HydrophobicContact CH2-CG2 4.12Å; W232-V245 HydrophobicContact CZ2-CG2 3.25Å; W232-D287 PolarHBondContact N-OD1 3.04Å
233	G	83.4	Confident	86	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.254	C	S	.	.			trans	-61.8	174	-177.8	0	0	0	0	0	113.7	A242 Q285 D287	G233-A242 PolarHBondContact O-N 2.92Å; G233-Q285 CarbonylContact C-O 3.25Å; G233-Q285 WeakPolarHBondContact CA-O 3.49Å; G233-D287 VanDerWaalsContact CA-OD1 3.26Å; G233-D287 WeakPolarHBondContact CA-OD1 3.43Å; G233-D287 PolarHBondContact N-OD1 3.39Å
234	S	80.2	Confident	86	Confident	11 Å²	11	39.6 Å²	39.6	8%	0.077	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-61.1	137.6	-174.7	-58.5	0	0	0	0	110.8	Y236 G239 P240 C284 Q285	S234-Y236 WeakPolarHBondContact CB-O 3.18Å; S234-Y236 PolarHBondContact O-N 3.45Å; S234-G239 PolarHBondContact OG-O 3.45Å; S234-P240 WeakPolarHBondContact CA-O 3.28Å; S234-C284 VanDerWaalsContact O-CB 3.31Å; S234-C284 WeakPolarHBondContact O-CB 3.47Å; S234-Q285 PolarHBondContact N-O 3.41Å; S234-Q285 PolarHBondContact OG-O 2.94Å; S234-Q285 VanDerWaalsContact OG-O 3.05Å
235	L	72.8	Confident	86.1	Confident	23 Å²	23	37.2 Å²	37.2	12%	0.12	21%	0.213	C	C	.	.	S	Bend	trans	-71.3	-18.1	-173.1	-57.9	-173.8	0	0	0	113.9	R104 V106 P240 A242	R104-L235 HydrophobicContact CB-CB 4.41Å; R104-L235 HydrophobicContact CB-CD1 4Å; R104-L235 HydrophobicContact CB-CD2 3.8Å; R104-L235 HydrophobicContact CB-CG 4.28Å; R104-L235 HydrophobicContact CG-CB 4.18Å; R104-L235 HydrophobicContact CG-CD1 4.04Å; R104-L235 HydrophobicContact CG-CD2 4.46Å; R104-L235 HydrophobicContact CG-CG 4.45Å; R104-L235 WeakPolarHBondContact O-CD2 3.43Å; V106-L235 PolarHBondContact N-O 3.27Å; L235-P240 HydrophobicContact CD1-CG 4.48Å; L235-P240 WeakPolarHBondContact CG-O 3.29Å; L235-P240 PolarHBondContact N-O 2.87Å; L235-A242 HydrophobicContact CD2-CB 3.65Å
236	Y	72.9	Confident	86.1	Confident	126 Å²	126	37 Å²	37	49%	0.494	21%	0.211	S	C	.	.	S	Bend	trans	-162.3	168.1	174.1	52.8	-88.9	0	0	0	107.1	S234 D238 G239 P240	S234-Y236 WeakPolarHBondContact CB-O 3.18Å; S234-Y236 PolarHBondContact O-N 3.45Å; Y236-D238 PolarHBondContact O-N 2.96Å; Y236-G239 VanDerWaalsContact CZ-CA 3.49Å; Y236-G239 WeakPolarHBondContact O-CA 3.44Å; Y236-G239 PolarHBondContact O-N 3.43Å; Y236-P240 WeakPolarHBondContact OH-CD 3.22Å
237	E	76.4	Confident	86.2	Confident	82 Å²	82	37.3 Å²	37.3	38%	0.383	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	128.5	178.6	-172.5	169.3	-163.2	0	0	111.2	G239 C314	E237-G239 PolarHBondContact O-N 2.93Å; E237-G239 VanDerWaalsContact O-N 3.15Å; E237-C314 HydrophobicContact CB-CB 4.25Å
238	D	76.1	Confident	86	Confident	148 Å²	148	37.6 Å²	37.6	79%	0.791	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	19.3	-173.2	-56.6	-40.5	0	0	0	114.9	Y236	Y236-D238 PolarHBondContact O-N 2.96Å
239	G	76.4	Confident	85.9	Confident	15 Å²	15	42 Å²	42	16%	0.155	22%	0.224	C	C	.	.			trans	-86.6	175.9	176.5	0	0	0	0	0	114.3	S234 Y236 E237	S234-G239 PolarHBondContact OG-O 3.45Å; Y236-G239 VanDerWaalsContact CZ-CA 3.49Å; Y236-G239 WeakPolarHBondContact O-CA 3.44Å; Y236-G239 PolarHBondContact O-N 3.43Å; E237-G239 PolarHBondContact O-N 2.93Å; E237-G239 VanDerWaalsContact O-N 3.15Å
240	P	80	Confident	85.8	Confident	73 Å²	73	41.9 Å²	41.9	47%	0.474	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-69.8	154.3	173	31.3	-34.8	0	0	0	111.3	S234 L235 Y236	S234-P240 WeakPolarHBondContact CA-O 3.28Å; L235-P240 HydrophobicContact CD1-CG 4.48Å; L235-P240 WeakPolarHBondContact CG-O 3.29Å; L235-P240 PolarHBondContact N-O 2.87Å; Y236-P240 WeakPolarHBondContact OH-CD 3.22Å
241	S	84.2	Confident	85.8	Confident	62 Å²	62	42.9 Å²	42.9	43%	0.434	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-66	158.9	168.2	-55.8	0	0	0	0	111.8	W232	W232-S241 WeakPolarHBondContact O-CB 3.39Å
242	A	87.1	Confident	85.8	Confident	4 Å²	4	43.3 Å²	43.3	3%	0.033	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-80.1	136.9	175.1	0	0	0	0	0	111.7	I165 W232 G233 L235 V244 M246	I165-A242 WeakPolarHBondContact CD1-O 2.87Å; W232-A242 PolarHBondContact O-N 3.14Å; W232-A242 VanDerWaalsContact O-N 3.12Å; G233-A242 PolarHBondContact O-N 2.92Å; L235-A242 HydrophobicContact CD2-CB 3.65Å; A242-V244 WeakPolarHBondContact CB-O 3.23Å; A242-M246 HydrophobicContact CB-CG 3.51Å
243	D	89.9	Confident	85.9	Confident	101 Å²	101	44.4 Å²	44.4	54%	0.54	24%	0.236	S	C	.	.	S	Bend	trans	-71.5	-32.1	173.8	-65.9	-27.2	0	0	0	112.1	D164 I165 T166	D164-D243 CarbonylContact C-O 3.58Å; D164-D243 VanDerWaalsContact CA-O 3.31Å; D164-D243 WeakPolarHBondContact CA-O 2.94Å; I165-D243 WeakPolarHBondContact CG1-O 3.41Å; I165-D243 PolarHBondContact N-O 3.16Å; T166-D243 HydrophobicContact CG2-CB 3.76Å
244	V	92	Very high	86.5	Confident	37 Å²	37	46.4 Å²	46.4	22%	0.224	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-119.8	159.9	-179.5	-59.4	0	0	0	0	110.9	P110 F163 D164 A242 M246	P110-V244 HydrophobicContact CB-CG2 4.42Å; F163-V244 HydrophobicContact CE1-CB 4.11Å; F163-V244 HydrophobicContact CE1-CG1 4.15Å; F163-V244 HydrophobicContact CZ-CB 4.24Å; F163-V244 CarbonylContact O-C 3.48Å; F163-V244 VanDerWaalsContact O-CA 3.27Å; F163-V244 WeakPolarHBondContact O-CA 3.34Å; D164-V244 HydrophobicContact CB-CG1 3.99Å; A242-V244 WeakPolarHBondContact CB-O 3.23Å; V244-M246 HydrophobicContact CG2-SD 3.68Å; V244-M246 VanDerWaalsContact O-CG 3.29Å; V244-M246 WeakPolarHBondContact O-CG 3.25Å; V244-M246 PolarHBondContact O-N 2.97Å
245	V	93	Very high	87	Confident	4 Å²	4	48 Å²	48	2%	0.024	26%	0.255	C	S	.	.			trans	-58.5	126.9	173.7	178.2	0	0	0	0	110	A111 W116 L119 F163 A230 W232	A111-V245 HydrophobicContact CB-CB 4.19Å; A111-V245 HydrophobicContact CB-CG1 3.75Å; A111-V245 WeakPolarHBondContact CB-O 3.33Å; A111-V245 PolarHBondContact N-O 2.84Å; W116-V245 HydrophobicContact CG-CG1 4.42Å; L119-V245 HydrophobicContact CD2-CG1 3.78Å; L119-V245 HydrophobicContact CD2-CG2 3.93Å; F163-V245 HydrophobicContact CD2-CB 3.92Å; F163-V245 HydrophobicContact CD2-CG2 3.95Å; F163-V245 HydrophobicContact CE2-CB 4.05Å; F163-V245 PolarHBondContact O-N 2.68Å; A230-V245 HydrophobicContact CB-CG1 4.17Å; W232-V245 HydrophobicContact CD2-CG2 4.32Å; W232-V245 HydrophobicContact CH2-CG2 4.12Å; W232-V245 HydrophobicContact CZ2-CG2 3.25Å
246	M	91.4	Very high	88	Confident	8 Å²	8	50.8 Å²	50.8	4%	0.039	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	144.5	176.7	-52.6	-61.2	-71.5	0	0	109.1	R104 I105 P110 A230 G231 A242 V244	R104-M246 VanDerWaalsContact CA-CE 3.45Å; R104-M246 HydrophobicContact CB-CE 3.79Å; R104-M246 VanDerWaalsContact N-CE 3.32Å; R104-M246 WeakPolarHBondContact O-CB 3.47Å; R104-M246 WeakPolarHBondContact O-CE 3.41Å; R104-M246 WeakPolarHBondContact O-CG 3.17Å; I105-M246 HydrophobicContact CB-CB 4.48Å; I105-M246 HydrophobicContact CD1-CB 3.47Å; I105-M246 VanDerWaalsContact CD1-CB 3.47Å; I105-M246 HydrophobicContact CD1-CG 4.47Å; I105-M246 HydrophobicContact CG1-CB 3.44Å; I105-M246 VanDerWaalsContact CG1-CB 3.44Å; P110-M246 HydrophobicContact CB-CE 4.27Å; P110-M246 HydrophobicContact CB-SD 4.08Å; P110-M246 HydrophobicContact CG-CE 3.77Å; P110-M246 HydrophobicContact CG-SD 4.15Å; A230-M246 WeakPolarHBondContact CA-O 3.37Å; A230-M246 WeakPolarHBondContact CB-O 3.44Å; G231-M246 PolarHBondContact N-O 3.25Å; G231-M246 VanDerWaalsContact N-O 3.1Å; G231-M246 PolarHBondContact O-N 2.91Å; A242-M246 HydrophobicContact CB-CG 3.51Å; V244-M246 HydrophobicContact CG2-SD 3.68Å; V244-M246 VanDerWaalsContact O-CG 3.29Å; V244-M246 WeakPolarHBondContact O-CG 3.25Å; V244-M246 PolarHBondContact O-N 2.97Å
247	E	91.9	Very high	89	Confident	39 Å²	39	46.9 Å²	46.9	18%	0.182	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	151.8	178.7	68.4	175.3	-166.6	0	0	112.4	R91 G108 S109 A111 W116 V229 A230	R91-E247 IonicContact NH1-OE2 2.77Å; G108-E247 CarbonylContact C-O 3.43Å; G108-E247 WeakPolarHBondContact CA-O 2.9Å; S109-E247 PolarHBondContact N-O 2.73Å; S109-E247 PolarHBondContact O-N 3.26Å; A111-E247 HydrophobicContact CB-CB 4.05Å; A111-E247 HydrophobicContact CB-CG 3.9Å; W116-E247 HydrophobicContact CZ2-CB 4.06Å; W116-E247 PolarHBondContact NE1-OE2 2.92Å; V229-E247 CarbonylContact O-C 3.59Å; V229-E247 VanDerWaalsContact O-CA 3.26Å; V229-E247 WeakPolarHBondContact O-CA 3.41Å; A230-E247 HydrophobicContact CB-CB 4.24Å
248	A	90.1	Very high	89.8	Confident	7 Å²	7	43 Å²	43	6%	0.058	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	153.9	173.6	0	0	0	0	0	111.6	I105 L228 V229 I281	I105-A248 HydrophobicContact CB-CB 4.4Å; I105-A248 HydrophobicContact CG2-CB 4.32Å; L228-A248 WeakPolarHBondContact CA-O 2.98Å; V229-A248 HydrophobicContact CG2-CB 3.81Å; V229-A248 PolarHBondContact N-O 3.4Å; V229-A248 PolarHBondContact O-N 2.99Å; A248-I281 HydrophobicContact CB-CG2 3.78Å
249	K	90.9	Very high	90.6	Very high	129 Å²	129	38.9 Å²	38.9	56%	0.561	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.8	173.1	-172.3	175.6	-176.8	174.5	0	109.6	C227 L228 Y276	C227-K249 CarbonylContact O-C 3.47Å; C227-K249 VanDerWaalsContact O-CA 3.31Å; C227-K249 WeakPolarHBondContact O-CA 3.11Å; C227-K249 WeakPolarHBondContact O-CG 3.29Å; L228-K249 HydrophobicContact CD2-CB 4.07Å; L228-K249 HydrophobicContact CD2-CG 4.18Å; K249-Y276 WeakPolarHBondContact O-CE2 3.5Å
250	V	92.3	Very high	91.3	Very high	1 Å²	1	43 Å²	43	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	137.4	-176.9	-68.1	0	0	0	0	110.9	C227 V229 A274 I281 L292	C227-V250 HydrophobicContact CB-CG2 4.37Å; C227-V250 PolarHBondContact N-O 3.1Å; C227-V250 PolarHBondContact O-N 3.12Å; V229-V250 HydrophobicContact CG1-CG2 3.89Å; V229-V250 HydrophobicContact CG2-CG1 4.48Å; V250-A274 HydrophobicContact CB-CB 4.34Å; V250-A274 HydrophobicContact CG2-CB 3.86Å; V250-I281 HydrophobicContact CG1-CG2 3.91Å; V250-L292 HydrophobicContact CG2-CD1 3.66Å
251	P	93.9	Very high	91.8	Very high	27 Å²	27	41.3 Å²	41.3	18%	0.175	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	138.5	176.8	31.5	-33.3	0	0	0	110.5	S225 L253 A274 G275 Y276	S225-P251 WeakPolarHBondContact O-CA 3.46Å; P251-L253 PolarHBondContact O-N 3.5Å; P251-A274 CarbonylContact O-C 3.57Å; P251-A274 VanDerWaalsContact O-CA 3.24Å; P251-A274 WeakPolarHBondContact O-CA 3.39Å; P251-G275 WeakPolarHBondContact CG-O 3.38Å; P251-G275 PolarHBondContact O-N 3Å; P251-Y276 HydrophobicContact CG-CD1 4.17Å; P251-Y276 HydrophobicContact CG-CE1 4.05Å; P251-Y276 HydrophobicContact CG-CG 4.46Å
252	L	94.9	Very high	92	Very high	11 Å²	11	39.5 Å²	39.5	6%	0.058	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-67.6	129.5	169.3	-176.6	70.8	0	0	0	110.1	P221 G224 S225 L272	P221-L252 HydrophobicContact CG-CD2 4.04Å; P221-L252 WeakPolarHBondContact O-CD2 3.41Å; G224-L252 WeakPolarHBondContact CA-O 3.37Å; G224-L252 PolarHBondContact N-O 3.33Å; S225-L252 PolarHBondContact O-N 3.46Å; L252-L272 HydrophobicContact CD1-CB 4.3Å; L252-L272 HydrophobicContact CD1-CD1 3.75Å; L252-L272 HydrophobicContact CD1-CD2 4.42Å; L252-L272 HydrophobicContact CD1-CG 4.4Å
253	L	94.9	Very high	92	Very high	24 Å²	24	40.7 Å²	40.7	13%	0.126	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-95.1	148.8	-179.4	-62	-178.4	0	0	0	112.3	P251 C273 L277 P320	P251-L253 PolarHBondContact O-N 3.5Å; L253-C273 HydrophobicContact CB-CB 4.02Å; L253-C273 HydrophobicContact CD1-CB 4.12Å; L253-C273 HydrophobicContact CG-CB 4.48Å; L253-C273 PolarHBondContact N-O 3.45Å; L253-L277 HydrophobicContact CD1-CD2 4.02Å; L253-L277 HydrophobicContact CD1-CG 4.36Å; L253-P320 HydrophobicContact CD1-CB 3.48Å; L253-P320 VanDerWaalsContact CD1-CB 3.48Å; L253-P320 HydrophobicContact CD1-CG 3.88Å
254	P	94.8	Very high	91.4	Very high	43 Å²	43	43.5 Å²	43.5	28%	0.279	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-59.9	144.6	169.1	-20.8	31.9	0	0	0	112.1	T223 S256 T257 C258	T223-P254 HydrophobicContact CG2-CB 4.2Å; T223-P254 HydrophobicContact CG2-CG 4.16Å; P254-S256 PolarHBondContact O-N 3.12Å; P254-T257 WeakPolarHBondContact O-CB 3.31Å; P254-T257 PolarHBondContact O-N 3.48Å; P254-T257 VanDerWaalsContact O-N 3.07Å; P254-C258 PolarHBondContact O-N 3.24Å
255	Q	92.2	Very high	90.9	Very high	44 Å²	44	49.3 Å²	49.3	21%	0.206	28%	0.276	C	S	.	.	H	α-helix	trans	-57.8	-35.5	178.5	-163.6	72	5.5	0	0	112.4	C258 K259 T268 M271	Q255-C258 PolarHBondContact O-N 3.05Å; Q255-K259 WeakPolarHBondContact O-CB 3.15Å; Q255-K259 WeakPolarHBondContact O-CG 3.48Å; Q255-K259 PolarHBondContact O-N 2.94Å; Q255-T268 PolarHBondContact NE2-O 2.91Å; Q255-M271 PolarHBondContact NE2-O 2.92Å; Q255-M271 PolarHBondContact OE1-O 3.17Å
256	S	93.4	Very high	90.4	Very high	81 Å²	81	53.9 Å²	53.9	57%	0.566	30%	0.3	S	S	*	.	H	α-helix	trans	-63.5	-45.8	176	49.9	0	0	0	0	111.7	P254 K259 S260	P254-S256 PolarHBondContact O-N 3.12Å; S256-K259 PolarHBondContact O-N 3.44Å; S256-S260 WeakPolarHBondContact O-CB 3.36Å; S256-S260 PolarHBondContact O-N 3.26Å; S256-S260 PolarHBondContact O-OG 3.43Å
257	T	93.9	Very high	90.3	Very high	44 Å²	44	53.7 Å²	53.7	27%	0.27	30%	0.3	S	S	.	.	H	α-helix	trans	-61.7	-45.2	176.2	-55	0	0	0	0	111.5	P254 K259 S260 A261 L277	P254-T257 WeakPolarHBondContact O-CB 3.31Å; P254-T257 PolarHBondContact O-N 3.48Å; P254-T257 VanDerWaalsContact O-N 3.07Å; T257-K259 PolarHBondContact O-N 2.91Å; T257-S260 PolarHBondContact O-N 2.85Å; T257-A261 WeakPolarHBondContact O-CB 3.48Å; T257-A261 PolarHBondContact O-N 3.16Å; T257-L277 HydrophobicContact CG2-CD1 3.65Å
258	C	92.1	Very high	90.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-56.8	-48.7	176	-172.8	0	0	0	0	111.5	P254 Q255 S260 A261 L262 V267 C273	P254-C258 PolarHBondContact O-N 3.24Å; Q255-C258 PolarHBondContact O-N 3.05Å; C258-S260 PolarHBondContact O-N 3.49Å; C258-A261 PolarHBondContact O-N 2.51Å; C258-L262 PolarHBondContact O-N 2.6Å; C258-V267 HydrophobicContact CB-CG1 4.48Å; C258-V267 WeakPolarHBondContact SG-CG1 3.26Å; C258-C273 HydrophobicContact CB-CB 3.57Å; C258-C273 WeakPolarHBondContact CB-SG 3.47Å; C258-C273 WeakPolarHBondContact SG-CB 3.12Å; C258-C273 CovalentContact SG-SG 2.02Å; C258-C273 PolarHBondContact SG-SG 3.49Å
259	K	92.6	Very high	90.3	Very high	63 Å²	63	59.2 Å²	59.2	27%	0.274	33%	0.331	S	S	.	.	H	α-helix	trans	-65.1	-35.7	176.1	-76.1	-178.8	178.5	-170.9	0	113.7	Q255 S256 T257 G263 K264 V267	Q255-K259 WeakPolarHBondContact O-CB 3.15Å; Q255-K259 WeakPolarHBondContact O-CG 3.48Å; Q255-K259 PolarHBondContact O-N 2.94Å; S256-K259 PolarHBondContact O-N 3.44Å; T257-K259 PolarHBondContact O-N 2.91Å; K259-G263 CarbonylContact O-C 3.04Å; K259-G263 WeakPolarHBondContact O-CA 3.49Å; K259-G263 PolarHBondContact O-N 3.06Å; K259-K264 HydrophobicContact CB-CG 4.49Å; K259-K264 PolarHBondContact O-N 2.71Å; K259-V267 WeakPolarHBondContact CE-O 3.45Å; K259-V267 HydrophobicContact CG-CB 4.01Å
260	S	92.4	Very high	90.4	Very high	100 Å²	100	54.3 Å²	54.3	70%	0.699	31%	0.312	S	S	*	.	H	α-helix	trans	-71	-35.7	176.7	-74.3	0	0	0	0	112.4	S256 T257 C258	S256-S260 WeakPolarHBondContact O-CB 3.36Å; S256-S260 PolarHBondContact O-N 3.26Å; S256-S260 PolarHBondContact O-OG 3.43Å; T257-S260 PolarHBondContact O-N 2.85Å; C258-S260 PolarHBondContact O-N 3.49Å
261	A	90.4	Very high	90.6	Very high	39 Å²	39	54.4 Å²	54.4	32%	0.322	31%	0.312	S	S	.	.	H	α-helix	trans	-73	-47.6	-180	0	0	0	0	0	112.2	T257 C258 L277 G318 P320	T257-A261 WeakPolarHBondContact O-CB 3.48Å; T257-A261 PolarHBondContact O-N 3.16Å; C258-A261 PolarHBondContact O-N 2.51Å; A261-L277 HydrophobicContact CB-CD2 4.35Å; A261-G318 WeakPolarHBondContact CB-O 3.44Å; A261-P320 HydrophobicContact CB-CG 4.21Å
262	L	88.7	Confident	90.6	Very high	24 Å²	24	53.3 Å²	53.3	13%	0.126	31%	0.305	C	S	.	.	H	α-helix	trans	-100.1	-20.7	-171.1	-60.5	173.8	0	0	0	113.5	C258 L266 V267 W310 P320 V322	C258-L262 PolarHBondContact O-N 2.6Å; L262-L266 VanDerWaalsContact O-CD1 3.29Å; L262-L266 WeakPolarHBondContact O-CD1 3.45Å; L262-V267 HydrophobicContact CB-CG2 4.11Å; L262-V267 HydrophobicContact CD1-CG2 4.01Å; L262-W310 HydrophobicContact CD1-CH2 3.98Å; L262-W310 HydrophobicContact CD1-CZ3 4.35Å; L262-P320 HydrophobicContact CD1-CG 4.4Å; L262-P320 HydrophobicContact CG-CG 4.44Å; L262-V322 HydrophobicContact CD1-CG2 3.26Å
263	G	86.1	Confident	90.6	Very high	28 Å²	28	52.8 Å²	52.8	29%	0.289	30%	0.302	S	S	.	.			trans	114.9	137.3	-173.6	0	0	0	0	0	112.1	K259 D265 L266	K259-G263 CarbonylContact O-C 3.04Å; K259-G263 WeakPolarHBondContact O-CA 3.49Å; K259-G263 PolarHBondContact O-N 3.06Å; G263-D265 VanDerWaalsContact C-N 3.27Å; G263-D265 PolarHBondContact O-N 3.32Å; G263-L266 PolarHBondContact O-N 3.34Å
264	K	78	Confident	90.6	Very high	160 Å²	160	51.6 Å²	51.6	70%	0.696	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-32.1	-170	-70.8	-177.8	179.9	177	0	114.1	K259	K259-K264 HydrophobicContact CB-CG 4.49Å; K259-K264 PolarHBondContact O-N 2.71Å
265	D	81.8	Confident	90.5	Very high	159 Å²	159	49.6 Å²	49.6	85%	0.85	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-8.9	-173.8	-57.8	-40.9	0	0	0	113.2	G263	G263-D265 VanDerWaalsContact C-N 3.27Å; G263-D265 PolarHBondContact O-N 3.32Å
266	L	82.4	Confident	90.3	Very high	100 Å²	100	52 Å²	52	52%	0.524	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-28.1	-179.3	-60.8	-172.3	0	0	0	112.9	L262 G263 W310	L262-L266 VanDerWaalsContact O-CD1 3.29Å; L262-L266 WeakPolarHBondContact O-CD1 3.45Å; G263-L266 PolarHBondContact O-N 3.34Å; L266-W310 HydrophobicContact CB-CH2 4.25Å
267	V	88.2	Confident	90.1	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.024	28%	0.281	C	S	.	.			trans	-105.2	114.7	-176.2	-174.4	0	0	0	0	111	C258 K259 L262 M271	C258-V267 HydrophobicContact CB-CG1 4.48Å; C258-V267 WeakPolarHBondContact SG-CG1 3.26Å; K259-V267 WeakPolarHBondContact CE-O 3.45Å; K259-V267 HydrophobicContact CG-CB 4.01Å; L262-V267 HydrophobicContact CB-CG2 4.11Å; L262-V267 HydrophobicContact CD1-CG2 4.01Å; V267-M271 HydrophobicContact CG1-CB 4.08Å
268	T	91.3	Very high	89.9	Confident	41 Å²	41	53.4 Å²	53.4	25%	0.252	30%	0.297	S	S	.	.			trans	-93.1	172	178.6	70.6	0	0	0	0	111.9	N192 Q255 T270 M271	N192-T268 HydrophobicContact CB-CG2 4.49Å; N192-T268 WeakPolarHBondContact OD1-CB 3.42Å; N192-T268 WeakPolarHBondContact OD1-CG2 3.08Å; N192-T268 PolarHBondContact OD1-OG1 2.86Å; Q255-T268 PolarHBondContact NE2-O 2.91Å; T268-T270 PolarHBondContact O-N 3.4Å; T268-T270 PolarHBondContact OG1-N 3.23Å; T268-T270 PolarHBondContact OG1-OG1 3.13Å; T268-M271 HydrophobicContact CG2-CE 4.45Å; T268-M271 PolarHBondContact O-N 2.87Å; T268-M271 VanDerWaalsContact O-N 3.16Å
269	N	91.2	Very high	89.5	Confident	121 Å²	121	54.1 Å²	54.1	65%	0.647	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-15.6	177.8	-66.2	-15.3	0	0	0	113.2	R325	N269-R325 PolarHBondContact O-NE 3.03Å
270	T	93.7	Very high	89	Confident	27 Å²	27	52.8 Å²	52.8	17%	0.166	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	4.5	174.4	57.3	0	0	0	0	112.7	N192 N193 T268 R325 A328 F329	N192-T270 PolarHBondContact OD1-OG1 2.7Å; N193-T270 WeakPolarHBondContact OD1-CG2 3.15Å; N193-T270 PolarHBondContact OD1-OG1 2.84Å; T268-T270 PolarHBondContact O-N 3.4Å; T268-T270 PolarHBondContact OG1-N 3.23Å; T268-T270 PolarHBondContact OG1-OG1 3.13Å; T270-R325 WeakPolarHBondContact O-CB 3.43Å; T270-R325 PolarHBondContact O-N 3.48Å; T270-A328 HydrophobicContact CG2-CB 4.31Å; T270-F329 HydrophobicContact CG2-CE2 4.24Å; T270-F329 HydrophobicContact CG2-CZ 3.75Å
271	M	95.4	Very high	88.4	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	156.4	174.5	-60.3	172.6	-176.4	0	0	110.5	T190 F191 N192 Q255 V267 T268 W310 V322 Y323 R325	T190-M271 WeakPolarHBondContact O-CE 3.48Å; F191-M271 WeakPolarHBondContact O-CE 3.48Å; N192-M271 HydrophobicContact CB-CE 4.31Å; Q255-M271 PolarHBondContact NE2-O 2.92Å; Q255-M271 PolarHBondContact OE1-O 3.17Å; V267-M271 HydrophobicContact CG1-CB 4.08Å; T268-M271 HydrophobicContact CG2-CE 4.45Å; T268-M271 PolarHBondContact O-N 2.87Å; T268-M271 VanDerWaalsContact O-N 3.16Å; M271-W310 HydrophobicContact SD-CZ2 4.31Å; M271-V322 HydrophobicContact CB-CG1 3.96Å; M271-V322 HydrophobicContact CG-CG1 4.21Å; M271-V322 HydrophobicContact SD-CG1 4.07Å; M271-Y323 CarbonylContact C-O 3.52Å; M271-Y323 WeakPolarHBondContact CA-O 3.31Å; M271-R325 PolarHBondContact O-NH2 3.47Å
272	L	94.6	Very high	87.8	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.021	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	154.5	168.9	60.7	85	0	0	0	109.6	L252 L292 Y323 R325	L252-L272 HydrophobicContact CD1-CB 4.3Å; L252-L272 HydrophobicContact CD1-CD1 3.75Å; L252-L272 HydrophobicContact CD1-CD2 4.42Å; L252-L272 HydrophobicContact CD1-CG 4.4Å; L272-L292 HydrophobicContact CD1-CD2 3.41Å; L272-L292 VanDerWaalsContact CD1-CD2 3.41Å; L272-Y323 HydrophobicContact CD1-CD2 4.02Å; L272-Y323 HydrophobicContact CD1-CG 4.14Å; L272-Y323 PolarHBondContact N-O 3.1Å; L272-Y323 PolarHBondContact O-N 3.49Å; L272-R325 HydrophobicContact CD2-CB 3.96Å; L272-R325 HydrophobicContact CD2-CG 4.09Å; L272-R325 HydrophobicContact CG-CB 4.43Å
273	C	94.9	Very high	87.3	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	143.8	173.1	-76.8	0	0	0	0	110.6	L253 C258 P320 G321	L253-C273 HydrophobicContact CB-CB 4.02Å; L253-C273 HydrophobicContact CD1-CB 4.12Å; L253-C273 HydrophobicContact CG-CB 4.48Å; L253-C273 PolarHBondContact N-O 3.45Å; C258-C273 HydrophobicContact CB-CB 3.57Å; C258-C273 WeakPolarHBondContact CB-SG 3.47Å; C258-C273 WeakPolarHBondContact SG-CB 3.12Å; C258-C273 CovalentContact SG-SG 2.02Å; C258-C273 PolarHBondContact SG-SG 3.49Å; C273-P320 HydrophobicContact CB-CB 4.2Å; C273-P320 HydrophobicContact CB-CG 4.11Å; C273-G321 VanDerWaalsContact CA-O 3.31Å; C273-G321 WeakPolarHBondContact CA-O 3.08Å
274	A	94.4	Very high	87.1	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	152.4	166.3	0	0	0	0	0	110	V250 P251 L292 G321 Y323	V250-A274 HydrophobicContact CB-CB 4.34Å; V250-A274 HydrophobicContact CG2-CB 3.86Å; P251-A274 CarbonylContact O-C 3.57Å; P251-A274 VanDerWaalsContact O-CA 3.24Å; P251-A274 WeakPolarHBondContact O-CA 3.39Å; A274-L292 HydrophobicContact CB-CD1 4.08Å; A274-L292 HydrophobicContact CB-CD2 4.16Å; A274-G321 PolarHBondContact N-O 2.9Å; A274-G321 VanDerWaalsContact N-O 3.12Å; A274-G321 PolarHBondContact O-N 3Å; A274-Y323 HydrophobicContact CB-CD2 4.15Å; A274-Y323 HydrophobicContact CB-CE2 3.74Å
275	G	92	Very high	87	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.01	25%	0.246	C	C	.	.	S	Bend	trans	128.1	179.9	179.4	0	0	0	0	0	113.3	P251	P251-G275 WeakPolarHBondContact CG-O 3.38Å; P251-G275 PolarHBondContact O-N 3Å
276	Y	89.3	Confident	86.7	Confident	93 Å²	93	36.9 Å²	36.9	37%	0.365	21%	0.214	S	C	.	.			trans	-101.5	122.9	-176.5	-64.1	-91.1	0	0	0	110.5	K249 P251 S278 G279 I281	K249-Y276 WeakPolarHBondContact O-CE2 3.5Å; P251-Y276 HydrophobicContact CG-CD1 4.17Å; P251-Y276 HydrophobicContact CG-CE1 4.05Å; P251-Y276 HydrophobicContact CG-CG 4.46Å; Y276-S278 PolarHBondContact O-N 2.84Å; Y276-S278 VanDerWaalsContact O-N 3.12Å; Y276-G279 WeakPolarHBondContact O-CA 3.32Å; Y276-G279 PolarHBondContact O-N 2.88Å; Y276-I281 HydrophobicContact CD2-CB 3.97Å; Y276-I281 HydrophobicContact CD2-CD1 4.19Å; Y276-I281 HydrophobicContact CE2-CB 4.29Å; Y276-I281 HydrophobicContact CE2-CD1 3.87Å
277	L	89.5	Confident	86.8	Confident	68 Å²	68	32.3 Å²	32.3	36%	0.356	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-13.8	175.7	-63.3	-179.8	0	0	0	113.5	L253 T257 A261 G279 G318 P320	L253-L277 HydrophobicContact CD1-CD2 4.02Å; L253-L277 HydrophobicContact CD1-CG 4.36Å; T257-L277 HydrophobicContact CG2-CD1 3.65Å; A261-L277 HydrophobicContact CB-CD2 4.35Å; L277-G279 PolarHBondContact O-N 3.32Å; L277-G318 PolarHBondContact O-N 2.94Å; L277-P320 HydrophobicContact CD2-CB 4.26Å; L277-P320 HydrophobicContact CD2-CG 4.05Å
278	S	88.8	Confident	87	Confident	88 Å²	88	33.3 Å²	33.3	62%	0.615	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-14	168.3	52.8	0	0	0	0	113.2	Y276	Y276-S278 PolarHBondContact O-N 2.84Å; Y276-S278 VanDerWaalsContact O-N 3.12Å
279	G	84.6	Confident	87.2	Confident	14 Å²	14	31.4 Å²	31.4	14%	0.144	19%	0.186	C	C	.	.	S	Bend	trans	79.3	-174.6	-167.4	0	0	0	0	0	112.2	Y276 L277 I281 G315	Y276-G279 WeakPolarHBondContact O-CA 3.32Å; Y276-G279 PolarHBondContact O-N 2.88Å; L277-G279 PolarHBondContact O-N 3.32Å; G279-I281 PolarHBondContact O-N 2.83Å; G279-G315 CarbonylContact C-O 3.43Å; G279-G315 WeakPolarHBondContact CA-O 3.31Å
280	G	81.1	Confident	87.4	Confident	36 Å²	36	25.7 Å²	25.7	37%	0.371	16%	0.156	S	C	.	.	S	Bend	trans	94.1	-33	170.9	0	0	0	0	0	115.9	V106 G107 G315	V106-G280 CarbonylContact C-O 3.46Å; V106-G280 VanDerWaalsContact CG1-O 3.29Å; V106-G280 WeakPolarHBondContact CG1-O 3.37Å; G107-G280 PolarHBondContact N-O 2.71Å; G107-G280 VanDerWaalsContact N-O 3.13Å; G280-G315 PolarHBondContact N-O 3.33Å
281	I	79.9	Confident	87.5	Confident	45 Å²	45	24.4 Å²	24.4	23%	0.231	15%	0.148	C	C	.	.			trans	-121.3	118.7	175.8	-58.4	170.3	0	0	0	111	V106 A248 V250 Y276 G279	V106-I281 VanDerWaalsContact O-CA 3.22Å; V106-I281 WeakPolarHBondContact O-CA 3.49Å; A248-I281 HydrophobicContact CB-CG2 3.78Å; V250-I281 HydrophobicContact CG1-CG2 3.91Å; Y276-I281 HydrophobicContact CD2-CB 3.97Å; Y276-I281 HydrophobicContact CD2-CD1 4.19Å; Y276-I281 HydrophobicContact CE2-CB 4.29Å; Y276-I281 HydrophobicContact CE2-CD1 3.87Å; G279-I281 PolarHBondContact O-N 2.83Å
282	D	77.4	Confident	87.6	Confident	4 Å²	4	24.3 Å²	24.3	2%	0.021	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-162.6	159.5	-178.1	-157.6	4.4	0	0	0	113	I105 G315	I105-D282 WeakPolarHBondContact CG2-O 3.3Å; D282-G315 VanDerWaalsContact CB-CA 3.5Å; D282-G315 PolarHBondContact OD2-N 3.02Å
283	S	79.3	Confident	87.6	Confident	15 Å²	15	24.1 Å²	24.1	11%	0.105	15%	0.146	C	C	.	.			trans	-77.1	149.6	165.6	44.4	0	0	0	0	110.9	Y323	S283-Y323 PolarHBondContact OG-OH 3.21Å; S283-Y323 VanDerWaalsContact OG-OH 3.05Å
284	C	81.5	Confident	87.5	Confident	9 Å²	9	25.2 Å²	25.2	6%	0.061	15%	0.151	C	C	.	.			trans	-137.7	-171.4	-173.6	-155.2	0	0	0	0	113.1	V106 S234 G286 D287 C314	V106-C284 HydrophobicContact CG2-CB 4.44Å; S234-C284 VanDerWaalsContact O-CB 3.31Å; S234-C284 WeakPolarHBondContact O-CB 3.47Å; C284-G286 PolarHBondContact O-N 3.11Å; C284-D287 PolarHBondContact N-OD2 3.4Å; C284-D287 WeakPolarHBondContact O-CB 3.18Å; C284-D287 PolarHBondContact O-N 2.98Å; C284-C314 WeakPolarHBondContact CA-SG 3.47Å; C284-C314 HydrophobicContact CB-CB 3.81Å; C284-C314 WeakPolarHBondContact CB-SG 3.49Å; C284-C314 WeakPolarHBondContact SG-CB 3.33Å; C284-C314 CovalentContact SG-SG 2.04Å; C284-C314 PolarHBondContact SG-SG 2.85Å
285	Q	75.1	Confident	87.3	Confident	84 Å²	84	29.7 Å²	29.7	39%	0.393	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	127.9	-174.4	-64.9	82.9	9.8	0	0	111.2	G233 S234	G233-Q285 CarbonylContact C-O 3.25Å; G233-Q285 WeakPolarHBondContact CA-O 3.49Å; S234-Q285 PolarHBondContact N-O 3.41Å; S234-Q285 PolarHBondContact OG-O 2.94Å; S234-Q285 VanDerWaalsContact OG-O 3.05Å
286	G	75.4	Confident	86.8	Confident	18 Å²	18	31.3 Å²	31.3	19%	0.186	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.2	-17.9	-174.4	0	0	0	0	0	114.3	C284 S288	C284-G286 PolarHBondContact O-N 3.11Å; G286-S288 VanDerWaalsContact C-N 3.32Å
287	D	85.8	Confident	86.3	Confident	5 Å²	5	36.8 Å²	36.8	3%	0.027	20%	0.2	C	C	.	.			trans	-84	-7.8	171.5	-63.9	-41.1	0	0	0	113	G231 W232 G233 C284 G289 G290 T308	G231-D287 VanDerWaalsContact CA-OD1 3.31Å; G231-D287 WeakPolarHBondContact CA-OD1 3.35Å; W232-D287 PolarHBondContact N-OD1 3.04Å; G233-D287 VanDerWaalsContact CA-OD1 3.26Å; G233-D287 WeakPolarHBondContact CA-OD1 3.43Å; G233-D287 PolarHBondContact N-OD1 3.39Å; C284-D287 PolarHBondContact N-OD2 3.4Å; C284-D287 WeakPolarHBondContact O-CB 3.18Å; C284-D287 PolarHBondContact O-N 2.98Å; D287-G289 PolarHBondContact O-N 3.49Å; D287-G290 WeakPolarHBondContact O-CA 3.05Å; D287-G290 PolarHBondContact O-N 2.99Å; D287-T308 HydrophobicContact CB-CG2 4.36Å; D287-T308 VanDerWaalsContact O-CB 3.22Å; D287-T308 WeakPolarHBondContact O-CB 3.47Å; D287-T308 PolarHBondContact O-OG1 2.74Å
288	S	91.8	Very high	85.6	Confident	25 Å²	25	41.3 Å²	41.3	18%	0.175	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	132.7	176.4	-75.9	0	0	0	0	111.3	C130 G131 H145 G286 G290	C130-S288 CarbonylContact C-O 3.6Å; C130-S288 WeakPolarHBondContact CA-O 3.37Å; C130-S288 WeakPolarHBondContact CB-O 3.49Å; G131-S288 PolarHBondContact N-O 3.09Å; H145-S288 PolarHBondContact CE1-OG 3.1Å; H145-S288 VanDerWaalsContact NE2-CB 3.27Å; H145-S288 WeakPolarHBondContact NE2-CB 3.49Å; H145-S288 PolarHBondContact NE2-OG 3.03Å; H145-S288 VanDerWaalsContact NE2-OG 3.08Å; G286-S288 VanDerWaalsContact C-N 3.32Å; S288-G290 PolarHBondContact O-N 3.3Å
289	G	95.5	Very high	85.2	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	-9	-175.5	0	0	0	0	0	115.3	G131 G132 T142 D287 T308	G131-G289 CarbonylContact C-O 3.47Å; G131-G289 CarbonylContact O-C 3.58Å; G131-G289 VanDerWaalsContact O-C 3.25Å; G131-G289 WeakPolarHBondContact O-CA 3.36Å; G132-G289 WeakPolarHBondContact CA-O 3.4Å; T142-G289 WeakPolarHBondContact OG1-CA 3.45Å; D287-G289 PolarHBondContact O-N 3.49Å; G289-T308 PolarHBondContact N-O 3.05Å
290	G	95.6	Very high	85.1	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.01	22%	0.222	C	C	.	.			trans	-69.9	168.9	175.2	0	0	0	0	0	113.9	D287 S288 V307 T308	D287-G290 WeakPolarHBondContact O-CA 3.05Å; D287-G290 PolarHBondContact O-N 2.99Å; S288-G290 PolarHBondContact O-N 3.3Å; G290-V307 WeakPolarHBondContact O-CA 3.32Å; G290-T308 PolarHBondContact O-N 3.49Å; G290-T308 PolarHBondContact O-OG1 2.88Å
291	P	96.5	Very high	85.3	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	141.9	-170.5	32	-34.7	0	0	0	114	W116 L119 V133 V229 I293 L304	W116-P291 HydrophobicContact CE3-CG 4.18Å; W116-P291 HydrophobicContact CZ3-CG 3.82Å; L119-P291 HydrophobicContact CD1-CG 3.94Å; V133-P291 HydrophobicContact CG1-CB 4.33Å; V133-P291 HydrophobicContact CG2-CB 3.59Å; V133-P291 HydrophobicContact CG2-CG 4.2Å; V229-P291 WeakPolarHBondContact CA-O 3.4Å; P291-I293 HydrophobicContact CB-CD1 3.6Å; P291-I293 HydrophobicContact CB-CG1 3.8Å; P291-I293 HydrophobicContact CG-CG1 4.4Å; P291-L304 HydrophobicContact CB-CD1 3.8Å
292	L	96	Very high	85.9	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	107.7	153.5	-177.6	76.9	0	0	0	108.7	C227 V229 V250 L272 A274 F305 G306 Y323	C227-L292 HydrophobicContact CB-CD1 3.52Å; C227-L292 HydrophobicContact CB-CG 3.91Å; V229-L292 HydrophobicContact CG1-CB 4.47Å; V229-L292 HydrophobicContact CG1-CD1 3.42Å; V229-L292 VanDerWaalsContact CG1-CD1 3.42Å; V250-L292 HydrophobicContact CG2-CD1 3.66Å; L272-L292 HydrophobicContact CD1-CD2 3.41Å; L272-L292 VanDerWaalsContact CD1-CD2 3.41Å; A274-L292 HydrophobicContact CB-CD1 4.08Å; A274-L292 HydrophobicContact CB-CD2 4.16Å; L292-F305 PolarHBondContact O-N 3.35Å; L292-G306 PolarHBondContact N-O 3.15Å; L292-G306 PolarHBondContact O-N 3.46Å; L292-G306 VanDerWaalsContact O-N 3.15Å; L292-Y323 HydrophobicContact CB-CD1 3.79Å; L292-Y323 HydrophobicContact CB-CE1 4.12Å; L292-Y323 HydrophobicContact CB-CG 4.32Å; L292-Y323 HydrophobicContact CD1-CE1 4.28Å; L292-Y323 HydrophobicContact CD2-CD1 4.36Å; L292-Y323 HydrophobicContact CD2-CD2 4.21Å; L292-Y323 HydrophobicContact CD2-CG 4.08Å; L292-Y323 HydrophobicContact CG-CD1 4.46Å
293	I	95.4	Very high	86.6	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	137.8	-173	-59.1	-52.5	0	0	0	111.4	W116 W118 V213 C227 L228 P291 F302 Q303 L304	W116-I293 HydrophobicContact CH2-CB 4.39Å; W116-I293 HydrophobicContact CH2-CG1 4.1Å; W116-I293 HydrophobicContact CZ3-CB 4.28Å; W116-I293 HydrophobicContact CZ3-CG1 3.52Å; W118-I293 HydrophobicContact CZ2-CG1 4.48Å; W118-I293 HydrophobicContact CZ2-CG2 4.45Å; V213-I293 HydrophobicContact CG2-CD1 3.92Å; C227-I293 CarbonylContact C-O 3.58Å; C227-I293 VanDerWaalsContact CA-O 3.24Å; C227-I293 WeakPolarHBondContact CA-O 3.45Å; C227-I293 WeakPolarHBondContact CB-O 3.16Å; L228-I293 HydrophobicContact CB-CB 4.48Å; L228-I293 PolarHBondContact N-O 2.82Å; L228-I293 PolarHBondContact O-N 3.22Å; P291-I293 HydrophobicContact CB-CD1 3.6Å; P291-I293 HydrophobicContact CB-CG1 3.8Å; P291-I293 HydrophobicContact CG-CG1 4.4Å; I293-F302 HydrophobicContact CG2-CB 3.74Å; I293-F302 HydrophobicContact CG2-CD1 3.6Å; I293-F302 HydrophobicContact CG2-CG 4.14Å; I293-Q303 WeakPolarHBondContact CA-O 3.22Å; I293-L304 HydrophobicContact CD1-CB 4.2Å; I293-L304 HydrophobicContact CD1-CD1 3.84Å
294	Y	92.1	Very high	87.4	Confident	23 Å²	23	42.9 Å²	42.9	9%	0.09	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	135.1	165	177.3	-107.9	0	0	0	109.7	P221 Q303 F305	P221-Y294 HydrophobicContact CB-CD1 3.86Å; P221-Y294 HydrophobicContact CB-CD2 3.77Å; P221-Y294 HydrophobicContact CB-CE1 3.9Å; P221-Y294 HydrophobicContact CB-CE2 3.83Å; P221-Y294 HydrophobicContact CB-CG 3.78Å; P221-Y294 HydrophobicContact CG-CD1 4.37Å; P221-Y294 HydrophobicContact CG-CD2 4.26Å; P221-Y294 HydrophobicContact CG-CG 4.04Å; Y294-Q303 PolarHBondContact N-O 3.26Å; Y294-Q303 PolarHBondContact O-N 2.9Å; Y294-F305 HydrophobicContact CD1-CD2 4.41Å; Y294-F305 AromaticContact CD1-CE2 3.89Å; Y294-F305 HydrophobicContact CD1-CE2 3.89Å; Y294-F305 HydrophobicContact CG-CD2 4.39Å; Y294-F305 HydrophobicContact CG-CE2 4.31Å
295	Q	90	Very high	88	Confident	94 Å²	94	42.8 Å²	42.8	44%	0.439	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	112.7	170.6	-168.4	179.5	15.9	0	0	108.7	R297 G300 F302	Q295-R297 PolarHBondContact O-N 2.97Å; Q295-G300 PolarHBondContact NE2-O 3.08Å; Q295-F302 HydrophobicContact CB-CD1 3.91Å; Q295-F302 HydrophobicContact CB-CE1 3.79Å; Q295-F302 HydrophobicContact CB-CZ 4.39Å; Q295-F302 HydrophobicContact CG-CD1 4.13Å; Q295-F302 HydrophobicContact CG-CE1 3.9Å; Q295-F302 HydrophobicContact CG-CE2 4.35Å; Q295-F302 HydrophobicContact CG-CG 4.48Å; Q295-F302 HydrophobicContact CG-CZ 4Å
296	D	82.8	Confident	88.9	Confident	34 Å²	34	38.8 Å²	38.8	18%	0.182	20%	0.195	C	C	.	.			trans	-64.7	126.8	177	173.8	49.6	0	0	0	110.4	I298 S299 G300 R301 Q303	D296-I298 VanDerWaalsContact C-N 3.28Å; D296-I298 PolarHBondContact O-N 3.29Å; D296-I298 PolarHBondContact OD2-N 3.43Å; D296-S299 WeakPolarHBondContact CB-OG 3.44Å; D296-S299 WeakPolarHBondContact OD2-CB 3.26Å; D296-S299 PolarHBondContact OD2-N 2.89Å; D296-S299 PolarHBondContact OD2-OG 3.25Å; D296-G300 WeakPolarHBondContact O-CA 3.48Å; D296-G300 PolarHBondContact O-N 3.49Å; D296-R301 PolarHBondContact N-O 3.25Å; D296-Q303 VanDerWaalsContact CB-NE2 3.34Å
297	R	78.6	Confident	90	Very high	209 Å²	209	37.9 Å²	37.9	79%	0.789	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-23.4	-173.7	-63.5	-172.8	-177.6	-143.4	3.5	112.7	Q295	Q295-R297 PolarHBondContact O-N 2.97Å
298	I	75.2	Confident	90.5	Very high	162 Å²	162	38.1 Å²	38.1	83%	0.831	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-52.7	-177.3	-58.8	176.8	0	0	0	109.8	D296	D296-I298 VanDerWaalsContact C-N 3.28Å; D296-I298 PolarHBondContact O-N 3.29Å; D296-I298 PolarHBondContact OD2-N 3.43Å
299	S	78.9	Confident	90.7	Very high	52 Å²	52	37 Å²	37	36%	0.364	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-16.6	-177.7	66.1	0	0	0	0	113.9	D296 R301	D296-S299 WeakPolarHBondContact CB-OG 3.44Å; D296-S299 WeakPolarHBondContact OD2-CB 3.26Å; D296-S299 PolarHBondContact OD2-N 2.89Å; D296-S299 PolarHBondContact OD2-OG 3.25Å; S299-R301 PolarHBondContact O-N 2.9Å; S299-R301 PolarHBondContact OG-N 2.82Å
300	G	82.9	Confident	90.5	Very high	38 Å²	38	39.7 Å²	39.7	39%	0.392	19%	0.19	S	C	.	.			trans	70.8	-1	-172.7	0	0	0	0	0	114.3	Q295 D296	Q295-G300 PolarHBondContact NE2-O 3.08Å; D296-G300 WeakPolarHBondContact O-CA 3.48Å; D296-G300 PolarHBondContact O-N 3.49Å
301	R	86.6	Confident	90.1	Very high	104 Å²	104	41.4 Å²	41.4	39%	0.392	21%	0.208	S	C	.	.			trans	-82.3	148.1	-176.2	-61.8	-172.4	-133	-99.2	-0.6	111.9	G89 D296 S299	G89-R301 WeakPolarHBondContact O-CA 3.25Å; D296-R301 PolarHBondContact N-O 3.25Å; S299-R301 PolarHBondContact O-N 2.9Å; S299-R301 PolarHBondContact OG-N 2.82Å
302	F	91.3	Very high	89.5	Confident	18 Å²	18	45.3 Å²	45.3	8%	0.079	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	131.3	173	-65.7	-88	0	0	0	110.7	G89 R91 W118 V213 C214 L228 I293 Q295	G89-F302 VanDerWaalsContact CA-O 3.3Å; G89-F302 WeakPolarHBondContact CA-O 3.17Å; G89-F302 WeakPolarHBondContact O-CD2 3.31Å; G89-F302 PolarHBondContact O-N 3.45Å; R91-F302 HydrophobicContact CB-CE2 4.15Å; R91-F302 VanDerWaalsContact CD-CZ 3.49Å; R91-F302 HydrophobicContact CG-CD2 3.86Å; R91-F302 HydrophobicContact CG-CE2 3.58Å; R91-F302 HydrophobicContact CG-CZ 4.07Å; W118-F302 HydrophobicContact CH2-CB 3.36Å; W118-F302 HydrophobicContact CH2-CD1 4.27Å; W118-F302 AromaticContact CH2-CD2 3.73Å; W118-F302 HydrophobicContact CH2-CD2 3.73Å; W118-F302 AromaticContact CH2-CG 3.52Å; W118-F302 HydrophobicContact CH2-CG 3.52Å; W118-F302 HydrophobicContact CZ2-CB 3.74Å; W118-F302 HydrophobicContact CZ2-CD1 4.37Å; W118-F302 AromaticContact CZ2-CG 4Å; W118-F302 HydrophobicContact CZ2-CG 4Å; W118-F302 HydrophobicContact CZ3-CB 4.16Å; V213-F302 HydrophobicContact CG2-CB 4.47Å; V213-F302 WeakPolarHBondContact CG2-O 3.34Å; C214-F302 PolarHBondContact N-O 3.04Å; L228-F302 HydrophobicContact CD1-CE1 4.07Å; I293-F302 HydrophobicContact CG2-CB 3.74Å; I293-F302 HydrophobicContact CG2-CD1 3.6Å; I293-F302 HydrophobicContact CG2-CG 4.14Å; Q295-F302 HydrophobicContact CB-CD1 3.91Å; Q295-F302 HydrophobicContact CB-CE1 3.79Å; Q295-F302 HydrophobicContact CB-CZ 4.39Å; Q295-F302 HydrophobicContact CG-CD1 4.13Å; Q295-F302 HydrophobicContact CG-CE1 3.9Å; Q295-F302 HydrophobicContact CG-CE2 4.35Å; Q295-F302 HydrophobicContact CG-CG 4.48Å; Q295-F302 HydrophobicContact CG-CZ 4Å
303	Q	92.8	Very high	88.8	Confident	24 Å²	24	46.1 Å²	46.1	11%	0.112	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	142	-177.3	-63.4	-178.4	30.7	0	0	111	C214 I293 Y294 D296 F305	C214-Q303 HydrophobicContact CB-CG 4.01Å; C214-Q303 CarbonylContact O-C 3.57Å; C214-Q303 VanDerWaalsContact O-CA 3.29Å; C214-Q303 WeakPolarHBondContact O-CA 3.42Å; I293-Q303 WeakPolarHBondContact CA-O 3.22Å; Y294-Q303 PolarHBondContact N-O 3.26Å; Y294-Q303 PolarHBondContact O-N 2.9Å; D296-Q303 VanDerWaalsContact CB-NE2 3.34Å; Q303-F305 HydrophobicContact CB-CD2 3.98Å; Q303-F305 HydrophobicContact CB-CE2 3.62Å; Q303-F305 HydrophobicContact CG-CE2 4.5Å; Q303-F305 PolarHBondContact O-N 2.85Å
304	L	95.3	Very high	88.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	108.4	177.2	-179.6	65	0	0	0	110.9	V133 V135 V141 V213 C214 P216 P291 I293 G306 V326	V133-L304 HydrophobicContact CB-CD1 4.44Å; V133-L304 HydrophobicContact CB-CD2 4.04Å; V133-L304 HydrophobicContact CG1-CD1 4.16Å; V133-L304 HydrophobicContact CG1-CD2 4.01Å; V133-L304 HydrophobicContact CG2-CD1 3.98Å; V133-L304 HydrophobicContact CG2-CD2 4.28Å; V135-L304 HydrophobicContact CG1-CD2 4.13Å; V141-L304 HydrophobicContact CB-CD2 4.2Å; V141-L304 HydrophobicContact CG1-CD2 4.08Å; V213-L304 HydrophobicContact CG1-CB 3.76Å; V213-L304 HydrophobicContact CG1-CD2 4.44Å; V213-L304 HydrophobicContact CG2-CB 4.45Å; C214-L304 PolarHBondContact O-N 2.82Å; P216-L304 WeakPolarHBondContact CD-O 3.27Å; P216-L304 VanDerWaalsContact CG-O 3.32Å; P216-L304 WeakPolarHBondContact CG-O 3.47Å; P291-L304 HydrophobicContact CB-CD1 3.8Å; I293-L304 HydrophobicContact CD1-CB 4.2Å; I293-L304 HydrophobicContact CD1-CD1 3.84Å; L304-G306 WeakPolarHBondContact CD1-O 3.46Å; L304-V326 HydrophobicContact CD2-CG1 4.49Å; L304-V326 HydrophobicContact CD2-CG2 4.33Å; L304-V326 HydrophobicContact CG-CG1 4.49Å; L304-V326 HydrophobicContact CG-CG2 4.08Å
305	F	93.6	Very high	87.4	Confident	6 Å²	6	46.2 Å²	46.2	3%	0.026	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-26.8	179.9	-87.1	-81	0	0	0	114	P216 V219 P221 L292 Y294 Q303 V326	P216-F305 HydrophobicContact CB-CD1 3.94Å; P216-F305 HydrophobicContact CB-CE1 3.45Å; P216-F305 VanDerWaalsContact CB-CE1 3.45Å; P216-F305 HydrophobicContact CB-CE2 4.17Å; P216-F305 HydrophobicContact CB-CG 4.46Å; P216-F305 HydrophobicContact CB-CZ 3.62Å; P216-F305 HydrophobicContact CG-CD1 4.48Å; P216-F305 HydrophobicContact CG-CE1 4.4Å; V219-F305 WeakPolarHBondContact O-CE1 3.43Å; V219-F305 WeakPolarHBondContact O-CZ 3.41Å; P221-F305 HydrophobicContact CG-CD1 4.23Å; P221-F305 HydrophobicContact CG-CD2 4.37Å; P221-F305 HydrophobicContact CG-CE1 4.47Å; P221-F305 HydrophobicContact CG-CG 4.16Å; L292-F305 PolarHBondContact O-N 3.35Å; Y294-F305 HydrophobicContact CD1-CD2 4.41Å; Y294-F305 AromaticContact CD1-CE2 3.89Å; Y294-F305 HydrophobicContact CD1-CE2 3.89Å; Y294-F305 HydrophobicContact CG-CD2 4.39Å; Y294-F305 HydrophobicContact CG-CE2 4.31Å; Q303-F305 HydrophobicContact CB-CD2 3.98Å; Q303-F305 HydrophobicContact CB-CE2 3.62Å; Q303-F305 HydrophobicContact CG-CE2 4.5Å; Q303-F305 PolarHBondContact O-N 2.85Å; F305-V326 PolarHBondContact O-N 3.44Å
306	G	95.7	Very high	87.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	155.4	177.7	0	0	0	0	0	112.4	L292 L304 T324	L292-G306 PolarHBondContact N-O 3.15Å; L292-G306 PolarHBondContact O-N 3.46Å; L292-G306 VanDerWaalsContact O-N 3.15Å; L304-G306 WeakPolarHBondContact CD1-O 3.46Å; G306-T324 VanDerWaalsContact CA-O 3.22Å; G306-T324 WeakPolarHBondContact CA-O 3.33Å
307	V	97.8	Very high	87.5	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.8	168.2	173.7	0	0	0	0	107.5	V141 A143 G290 S309 Y323 T324 V326	V141-V307 HydrophobicContact CG1-CG2 3.68Å; A143-V307 HydrophobicContact CB-CG1 4.17Å; G290-V307 WeakPolarHBondContact O-CA 3.32Å; V307-S309 PolarHBondContact O-N 3.22Å; V307-Y323 CarbonylContact O-C 3.44Å; V307-Y323 WeakPolarHBondContact O-CA 2.99Å; V307-Y323 WeakPolarHBondContact O-CB 3.39Å; V307-T324 PolarHBondContact N-O 2.92Å; V307-T324 VanDerWaalsContact N-O 3.08Å; V307-T324 PolarHBondContact O-N 3.33Å; V307-V326 HydrophobicContact CG2-CG2 3.73Å
308	T	96.6	Very high	88	Confident	9 Å²	9	43.3 Å²	43.3	6%	0.055	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	125.2	179.7	-52.8	0	0	0	0	110.1	D287 G289 G290 Y323	D287-T308 HydrophobicContact CB-CG2 4.36Å; D287-T308 VanDerWaalsContact O-CB 3.22Å; D287-T308 WeakPolarHBondContact O-CB 3.47Å; D287-T308 PolarHBondContact O-OG1 2.74Å; G289-T308 PolarHBondContact N-O 3.05Å; G290-T308 PolarHBondContact O-N 3.49Å; G290-T308 PolarHBondContact O-OG1 2.88Å; T308-Y323 HydrophobicContact CG2-CE1 4.3Å; T308-Y323 WeakPolarHBondContact OG1-CE1 3.29Å
309	S	94.8	Very high	88.7	Confident	3 Å²	3	38 Å²	38	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	-64.2	-171.8	-178.6	0	0	0	0	112.3	H145 D194 V307 V322	H145-S309 PolarHBondContact CE1-O 2.95Å; D194-S309 WeakPolarHBondContact CB-OG 2.95Å; D194-S309 WeakPolarHBondContact OD2-CB 3.22Å; D194-S309 PolarHBondContact OD2-OG 2.81Å; V307-S309 PolarHBondContact O-N 3.22Å; S309-V322 PolarHBondContact N-O 3.1Å; S309-V322 VanDerWaalsContact N-O 3.11Å
310	W	91.4	Very high	89.4	Confident	55 Å²	55	35.6 Å²	35.6	21%	0.208	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	169.2	-178.3	64.1	-86.9	0	0	0	112.2	F191 L262 L266 M271 V322	F191-W310 HydrophobicContact CB-CG 4.36Å; F191-W310 HydrophobicContact CG-CG 4.4Å; L262-W310 HydrophobicContact CD1-CH2 3.98Å; L262-W310 HydrophobicContact CD1-CZ3 4.35Å; L266-W310 HydrophobicContact CB-CH2 4.25Å; M271-W310 HydrophobicContact SD-CZ2 4.31Å; W310-V322 HydrophobicContact CD2-CB 3.97Å; W310-V322 HydrophobicContact CD2-CG1 4.42Å; W310-V322 HydrophobicContact CD2-CG2 4.03Å; W310-V322 HydrophobicContact CE3-CG2 4.17Å; W310-V322 HydrophobicContact CG-CB 4.23Å; W310-V322 HydrophobicContact CH2-CG2 3.91Å; W310-V322 HydrophobicContact CZ2-CB 4.16Å; W310-V322 HydrophobicContact CZ2-CG1 4.01Å; W310-V322 HydrophobicContact CZ2-CG2 3.77Å; W310-V322 HydrophobicContact CZ3-CG2 4.11Å; W310-V322 PolarHBondContact N-O 2.88Å; W310-V322 WeakPolarHBondContact O-CA 3.38Å; W310-V322 VanDerWaalsContact O-CB 3.3Å; W310-V322 WeakPolarHBondContact O-CB 3.2Å; W310-V322 PolarHBondContact O-N 3.36Å
311	G	87.7	Confident	89.9	Confident	37 Å²	37	33.9 Å²	33.9	38%	0.381	18%	0.179	S	C	.	.			trans	-157.2	164.5	175	0	0	0	0	0	110.1
312	D	84.4	Confident	90.3	Very high	82 Å²	82	29 Å²	29	44%	0.439	16%	0.161	S	C	.	.	S	Bend	trans	-100.9	97.1	169.1	177.8	7.4	0	0	0	107	K319	D312-K319 HydrophobicContact CB-CD 3.79Å; D312-K319 HydrophobicContact CB-CG 4.5Å; D312-K319 VanDerWaalsContact CG-CD 3.44Å; D312-K319 VanDerWaalsContact CG-CE 3.43Å; D312-K319 WeakPolarHBondContact O-CD 3.12Å; D312-K319 IonicContact OD1-NZ 3.29Å; D312-K319 PolarHBondContact OD1-NZ 3.28Å; D312-K319 WeakPolarHBondContact OD2-CD 3.41Å; D312-K319 WeakPolarHBondContact OD2-CE 2.97Å; D312-K319 IonicContact OD2-NZ 2.66Å; D312-K319 PolarHBondContact OD2-NZ 2.95Å; D312-K319 VanDerWaalsContact OD2-NZ 3.12Å
313	G	80.9	Confident	90.6	Very high	17 Å²	17	28.1 Å²	28.1	18%	0.175	16%	0.157	C	C	.	.	S	Bend	trans	70.2	-172.1	-165.1	0	0	0	0	0	113.2
314	C	80.6	Confident	90.8	Very high	14 Å²	14	27 Å²	27	10%	0.095	15%	0.152	C	C	.	.	S	Bend	trans	-120.9	113.6	173.6	-60.4	0	0	0	0	111.1	V106 E237 C284 E316	V106-C314 HydrophobicContact CG2-CB 4.22Å; E237-C314 HydrophobicContact CB-CB 4.25Å; C284-C314 WeakPolarHBondContact CA-SG 3.47Å; C284-C314 HydrophobicContact CB-CB 3.81Å; C284-C314 WeakPolarHBondContact CB-SG 3.49Å; C284-C314 WeakPolarHBondContact SG-CB 3.33Å; C284-C314 CovalentContact SG-SG 2.04Å; C284-C314 PolarHBondContact SG-SG 2.85Å; C314-E316 VanDerWaalsContact C-N 3.26Å; C314-E316 PolarHBondContact O-N 3.2Å
315	G	78.7	Confident	90.8	Very high	13 Å²	13	28.8 Å²	28.8	13%	0.134	16%	0.159	C	C	.	.	S	Bend	trans	70	23	175.5	0	0	0	0	0	114	G279 G280 D282	G279-G315 CarbonylContact C-O 3.43Å; G279-G315 WeakPolarHBondContact CA-O 3.31Å; G280-G315 PolarHBondContact N-O 3.33Å; D282-G315 VanDerWaalsContact CB-CA 3.5Å; D282-G315 PolarHBondContact OD2-N 3.02Å
316	E	85.3	Confident	90.9	Very high	70 Å²	70	28.5 Å²	28.5	33%	0.327	16%	0.158	S	C	.	.			trans	-70.8	150.9	174.3	-81.1	-163.6	-125.4	0	0	112.4	C314 G318 K319	C314-E316 VanDerWaalsContact C-N 3.26Å; C314-E316 PolarHBondContact O-N 3.2Å; E316-G318 PolarHBondContact O-N 2.79Å; E316-K319 HydrophobicContact CB-CB 4.04Å; E316-K319 HydrophobicContact CB-CD 3.75Å; E316-K319 HydrophobicContact CB-CG 4.16Å; E316-K319 HydrophobicContact CG-CD 4.38Å; E316-K319 PolarHBondContact O-N 3Å; E316-K319 IonicContact OE1-NZ 3.42Å; E316-K319 PolarHBondContact OE1-NZ 3.36Å; E316-K319 WeakPolarHBondContact OE2-CD 3.36Å; E316-K319 WeakPolarHBondContact OE2-CE 3.41Å; E316-K319 IonicContact OE2-NZ 3.9Å; E316-K319 PolarHBondContact OE2-NZ 3Å
317	K	89.2	Confident	90.7	Very high	176 Å²	176	29.5 Å²	29.5	77%	0.765	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	128.4	179	-174.4	179.8	178.4	-178.2	0	110.4	K319	K317-K319 PolarHBondContact O-N 2.97Å
318	G	89.6	Confident	90.4	Very high	30 Å²	30	32 Å²	32	31%	0.309	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	-0.5	178.8	0	0	0	0	0	114.5	A261 L277 E316 P320	A261-G318 WeakPolarHBondContact CB-O 3.44Å; L277-G318 PolarHBondContact O-N 2.94Å; E316-G318 PolarHBondContact O-N 2.79Å; G318-P320 WeakPolarHBondContact O-CD 3.42Å
319	K	89.8	Confident	90.3	Very high	49 Å²	49	32 Å²	32	21%	0.213	18%	0.184	C	C	.	.			trans	-117.3	92.3	-176.4	-58.5	-175.2	179.5	179.6	0	109.6	D312 E316 K317	D312-K319 HydrophobicContact CB-CD 3.79Å; D312-K319 HydrophobicContact CB-CG 4.5Å; D312-K319 VanDerWaalsContact CG-CD 3.44Å; D312-K319 VanDerWaalsContact CG-CE 3.43Å; D312-K319 WeakPolarHBondContact O-CD 3.12Å; D312-K319 IonicContact OD1-NZ 3.29Å; D312-K319 PolarHBondContact OD1-NZ 3.28Å; D312-K319 WeakPolarHBondContact OD2-CD 3.41Å; D312-K319 WeakPolarHBondContact OD2-CE 2.97Å; D312-K319 IonicContact OD2-NZ 2.66Å; D312-K319 PolarHBondContact OD2-NZ 2.95Å; D312-K319 VanDerWaalsContact OD2-NZ 3.12Å; E316-K319 HydrophobicContact CB-CB 4.04Å; E316-K319 HydrophobicContact CB-CD 3.75Å; E316-K319 HydrophobicContact CB-CG 4.16Å; E316-K319 HydrophobicContact CG-CD 4.38Å; E316-K319 PolarHBondContact O-N 3Å; E316-K319 IonicContact OE1-NZ 3.42Å; E316-K319 PolarHBondContact OE1-NZ 3.36Å; E316-K319 WeakPolarHBondContact OE2-CD 3.36Å; E316-K319 WeakPolarHBondContact OE2-CE 3.41Å; E316-K319 IonicContact OE2-NZ 3.9Å; E316-K319 PolarHBondContact OE2-NZ 3Å; K317-K319 PolarHBondContact O-N 2.97Å
320	P	92.9	Very high	89.9	Confident	3 Å²	3	32.8 Å²	32.8	2%	0.019	19%	0.19	C	C	.	.			trans	-77.4	154.7	178.7	32.5	-35.3	0	0	0	111.8	L253 A261 L262 C273 L277 G318	L253-P320 HydrophobicContact CD1-CB 3.48Å; L253-P320 VanDerWaalsContact CD1-CB 3.48Å; L253-P320 HydrophobicContact CD1-CG 3.88Å; A261-P320 HydrophobicContact CB-CG 4.21Å; L262-P320 HydrophobicContact CD1-CG 4.4Å; L262-P320 HydrophobicContact CG-CG 4.44Å; C273-P320 HydrophobicContact CB-CB 4.2Å; C273-P320 HydrophobicContact CB-CG 4.11Å; L277-P320 HydrophobicContact CD2-CB 4.26Å; L277-P320 HydrophobicContact CD2-CG 4.05Å; G318-P320 WeakPolarHBondContact O-CD 3.42Å
321	G	93.2	Very high	89.6	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	142.9	171.5	0	0	0	0	0	112.6	C273 A274	C273-G321 VanDerWaalsContact CA-O 3.31Å; C273-G321 WeakPolarHBondContact CA-O 3.08Å; A274-G321 PolarHBondContact N-O 2.9Å; A274-G321 VanDerWaalsContact N-O 3.12Å; A274-G321 PolarHBondContact O-N 3Å
322	V	95.4	Very high	89.8	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	130.1	-179.8	-171.9	0	0	0	0	110.7	L262 M271 S309 W310	L262-V322 HydrophobicContact CD1-CG2 3.26Å; M271-V322 HydrophobicContact CB-CG1 3.96Å; M271-V322 HydrophobicContact CG-CG1 4.21Å; M271-V322 HydrophobicContact SD-CG1 4.07Å; S309-V322 PolarHBondContact N-O 3.1Å; S309-V322 VanDerWaalsContact N-O 3.11Å; W310-V322 HydrophobicContact CD2-CB 3.97Å; W310-V322 HydrophobicContact CD2-CG1 4.42Å; W310-V322 HydrophobicContact CD2-CG2 4.03Å; W310-V322 HydrophobicContact CE3-CG2 4.17Å; W310-V322 HydrophobicContact CG-CB 4.23Å; W310-V322 HydrophobicContact CH2-CG2 3.91Å; W310-V322 HydrophobicContact CZ2-CB 4.16Å; W310-V322 HydrophobicContact CZ2-CG1 4.01Å; W310-V322 HydrophobicContact CZ2-CG2 3.77Å; W310-V322 HydrophobicContact CZ3-CG2 4.11Å; W310-V322 PolarHBondContact N-O 2.88Å; W310-V322 WeakPolarHBondContact O-CA 3.38Å; W310-V322 VanDerWaalsContact O-CB 3.3Å; W310-V322 WeakPolarHBondContact O-CB 3.2Å; W310-V322 PolarHBondContact O-N 3.36Å
323	Y	96.8	Very high	90	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	146.7	-178.8	-53.9	-100.9	0	0	0	110	V229 M271 L272 A274 S283 L292 V307 T308 R325	V229-Y323 HydrophobicContact CG1-CE1 4.03Å; M271-Y323 CarbonylContact C-O 3.52Å; M271-Y323 WeakPolarHBondContact CA-O 3.31Å; L272-Y323 HydrophobicContact CD1-CD2 4.02Å; L272-Y323 HydrophobicContact CD1-CG 4.14Å; L272-Y323 PolarHBondContact N-O 3.1Å; L272-Y323 PolarHBondContact O-N 3.49Å; A274-Y323 HydrophobicContact CB-CD2 4.15Å; A274-Y323 HydrophobicContact CB-CE2 3.74Å; S283-Y323 PolarHBondContact OG-OH 3.21Å; S283-Y323 VanDerWaalsContact OG-OH 3.05Å; L292-Y323 HydrophobicContact CB-CD1 3.79Å; L292-Y323 HydrophobicContact CB-CE1 4.12Å; L292-Y323 HydrophobicContact CB-CG 4.32Å; L292-Y323 HydrophobicContact CD1-CE1 4.28Å; L292-Y323 HydrophobicContact CD2-CD1 4.36Å; L292-Y323 HydrophobicContact CD2-CD2 4.21Å; L292-Y323 HydrophobicContact CD2-CG 4.08Å; L292-Y323 HydrophobicContact CG-CD1 4.46Å; V307-Y323 CarbonylContact O-C 3.44Å; V307-Y323 WeakPolarHBondContact O-CA 2.99Å; V307-Y323 WeakPolarHBondContact O-CB 3.39Å; T308-Y323 HydrophobicContact CG2-CE1 4.3Å; T308-Y323 WeakPolarHBondContact OG1-CE1 3.29Å; Y323-R325 PolarHBondContact O-N 2.8Å
324	T	97.2	Very high	90.2	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	124.8	169.6	-60.1	0	0	0	0	109.6	D194 I195 G306 V307 V326 F329	D194-T324 WeakPolarHBondContact O-CB 3.43Å; D194-T324 PolarHBondContact O-OG1 3.39Å; I195-T324 HydrophobicContact CB-CG2 4.07Å; G306-T324 VanDerWaalsContact CA-O 3.22Å; G306-T324 WeakPolarHBondContact CA-O 3.33Å; V307-T324 PolarHBondContact N-O 2.92Å; V307-T324 VanDerWaalsContact N-O 3.08Å; V307-T324 PolarHBondContact O-N 3.33Å; T324-V326 PolarHBondContact O-N 2.9Å; T324-F329 HydrophobicContact CG2-CD2 3.92Å; T324-F329 HydrophobicContact CG2-CE2 3.46Å; T324-F329 VanDerWaalsContact CG2-CE2 3.46Å; T324-F329 HydrophobicContact CG2-CZ 4.33Å
325	R	95.6	Very high	90.5	Very high	38 Å²	38	38.7 Å²	38.7	14%	0.143	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	103.6	-179.8	-179.8	-172.9	-52.3	-88.3	-7.9	110.5	D220 N269 T270 M271 L272 Y323 S327 A328 F329	D220-R325 IonicContact OD2-CZ 3.48Å; D220-R325 IonicContact OD2-NE 2.69Å; D220-R325 IonicContact OD2-NH1 3.42Å; D220-R325 PolarHBondContact OD2-NH1 3.17Å; N269-R325 PolarHBondContact O-NE 3.03Å; T270-R325 WeakPolarHBondContact O-CB 3.43Å; T270-R325 PolarHBondContact O-N 3.48Å; M271-R325 PolarHBondContact O-NH2 3.47Å; L272-R325 HydrophobicContact CD2-CB 3.96Å; L272-R325 HydrophobicContact CD2-CG 4.09Å; L272-R325 HydrophobicContact CG-CB 4.43Å; Y323-R325 PolarHBondContact O-N 2.8Å; R325-S327 VanDerWaalsContact C-N 3.34Å; R325-S327 WeakPolarHBondContact CG-OG 3.37Å; R325-S327 PolarHBondContact O-N 2.9Å; R325-A328 HydrophobicContact CB-CB 4.49Å; R325-A328 HydrophobicContact CG-CB 4.34Å; R325-A328 WeakPolarHBondContact O-CB 3.5Å; R325-A328 PolarHBondContact O-N 2.69Å; R325-F329 WeakPolarHBondContact O-CD2 3.49Å
326	V	95.1	Very high	90.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-66.1	-34.1	-173.2	175.4	0	0	0	0	112.9	L215 P216 L304 F305 V307 T324 A328 F329 S330	L215-V326 HydrophobicContact CD2-CG1 4.18Å; P216-V326 HydrophobicContact CG-CB 4.36Å; P216-V326 HydrophobicContact CG-CG1 4.01Å; L304-V326 HydrophobicContact CD2-CG1 4.49Å; L304-V326 HydrophobicContact CD2-CG2 4.33Å; L304-V326 HydrophobicContact CG-CG1 4.49Å; L304-V326 HydrophobicContact CG-CG2 4.08Å; F305-V326 PolarHBondContact O-N 3.44Å; V307-V326 HydrophobicContact CG2-CG2 3.73Å; T324-V326 PolarHBondContact O-N 2.9Å; V326-A328 PolarHBondContact O-N 3.29Å; V326-A328 VanDerWaalsContact O-N 3.16Å; V326-F329 CarbonylContact O-C 3.55Å; V326-F329 WeakPolarHBondContact O-CA 3.49Å; V326-F329 PolarHBondContact O-N 3.41Å; V326-S330 PolarHBondContact O-N 2.85Å; V326-S330 VanDerWaalsContact O-N 3.12Å
327	S	91.6	Very high	90.7	Very high	21 Å²	21	37.9 Å²	37.9	15%	0.147	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-58	-27.9	176.2	55.7	0	0	0	0	113.5	D220 R325 F329	D220-S327 VanDerWaalsContact OD1-CB 3.32Å; D220-S327 WeakPolarHBondContact OD1-CB 3.41Å; D220-S327 PolarHBondContact OD1-OG 3.29Å; R325-S327 VanDerWaalsContact C-N 3.34Å; R325-S327 WeakPolarHBondContact CG-OG 3.37Å; R325-S327 PolarHBondContact O-N 2.9Å; S327-F329 PolarHBondContact O-N 3.35Å
328	A	92.2	Very high	90.3	Very high	53 Å²	53	35.9 Å²	35.9	44%	0.438	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-73.7	-12.6	175.3	0	0	0	0	0	113.5	T270 R325 V326	T270-A328 HydrophobicContact CG2-CB 4.31Å; R325-A328 HydrophobicContact CB-CB 4.49Å; R325-A328 HydrophobicContact CG-CB 4.34Å; R325-A328 WeakPolarHBondContact O-CB 3.5Å; R325-A328 PolarHBondContact O-N 2.69Å; V326-A328 PolarHBondContact O-N 3.29Å; V326-A328 VanDerWaalsContact O-N 3.16Å
329	F	93.2	Very high	89.6	Confident	8 Å²	8	38 Å²	38	4%	0.035	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	2.7	-176.7	-58.3	-79	0	0	0	113.3	H183 N193 I195 T270 T324 R325 V326 S327 D331 W332 V333	H183-F329 AromaticContact CD2-CD1 3.7Å; H183-F329 AromaticContact CD2-CE1 3.89Å; H183-F329 AromaticContact CE1-CE1 3.98Å; H183-F329 AromaticContact NE2-CD1 3.73Å; H183-F329 AromaticContact NE2-CE1 3.73Å; N193-F329 HydrophobicContact CB-CE1 3.94Å; N193-F329 HydrophobicContact CB-CZ 3.89Å; N193-F329 WeakPolarHBondContact OD1-CZ 3.01Å; I195-F329 HydrophobicContact CD1-CB 3.94Å; I195-F329 HydrophobicContact CD1-CD2 4.24Å; I195-F329 HydrophobicContact CD1-CG 4.21Å; I195-F329 HydrophobicContact CG2-CB 4.47Å; I195-F329 HydrophobicContact CG2-CD1 3.88Å; I195-F329 HydrophobicContact CG2-CD2 4.14Å; I195-F329 HydrophobicContact CG2-CE1 4.12Å; I195-F329 HydrophobicContact CG2-CE2 4.39Å; I195-F329 HydrophobicContact CG2-CG 3.89Å; I195-F329 HydrophobicContact CG2-CZ 4.37Å; T270-F329 HydrophobicContact CG2-CE2 4.24Å; T270-F329 HydrophobicContact CG2-CZ 3.75Å; T324-F329 HydrophobicContact CG2-CD2 3.92Å; T324-F329 HydrophobicContact CG2-CE2 3.46Å; T324-F329 VanDerWaalsContact CG2-CE2 3.46Å; T324-F329 HydrophobicContact CG2-CZ 4.33Å; R325-F329 WeakPolarHBondContact O-CD2 3.49Å; V326-F329 CarbonylContact O-C 3.55Å; V326-F329 WeakPolarHBondContact O-CA 3.49Å; V326-F329 PolarHBondContact O-N 3.41Å; S327-F329 PolarHBondContact O-N 3.35Å; F329-D331 VanDerWaalsContact C-N 3.27Å; F329-D331 PolarHBondContact O-N 3.02Å; F329-W332 HydrophobicContact CB-CE3 4.4Å; F329-W332 PolarHBondContact O-N 2.97Å; F329-V333 HydrophobicContact CB-CG2 4.46Å; F329-V333 WeakPolarHBondContact O-CG2 3.39Å; F329-V333 PolarHBondContact O-N 3.5Å
330	S	86.8	Confident	88.5	Confident	19 Å²	19	39.2 Å²	39.2	13%	0.133	22%	0.216	C	C	.	.	H	α-helix	trans	-52.5	-44.1	-178	-68	0	0	0	0	112.6	P216 V326 W332 V333 Q334	P216-S330 PolarHBondContact O-OG 2.9Å; V326-S330 PolarHBondContact O-N 2.85Å; V326-S330 VanDerWaalsContact O-N 3.12Å; S330-W332 PolarHBondContact O-N 2.79Å; S330-V333 PolarHBondContact O-N 2.91Å; S330-Q334 VanDerWaalsContact O-CB 3.31Å; S330-Q334 WeakPolarHBondContact O-CB 3.3Å; S330-Q334 PolarHBondContact O-N 2.85Å
331	D	85.8	Confident	87.2	Confident	137 Å²	137	43.2 Å²	43.2	73%	0.733	24%	0.236	S	C	*	.	H	α-helix	trans	-63.5	-43	178.6	-65.5	-14.5	0	0	0	112.1	F329 A335	F329-D331 VanDerWaalsContact C-N 3.27Å; F329-D331 PolarHBondContact O-N 3.02Å; D331-A335 WeakPolarHBondContact O-CB 3.25Å; D331-A335 PolarHBondContact O-N 3.09Å
332	W	91.4	Very high	85.9	Confident	38 Å²	38	50.6 Å²	50.6	14%	0.144	26%	0.264	C	S	.	.	H	α-helix	trans	-66.4	-45.7	177.6	171.5	74.1	0	0	0	111.1	I181 H183 I195 L197 F329 S330 Q334 A335 E336	I181-W332 HydrophobicContact CG2-CZ2 4.1Å; H183-W332 HydrophobicContact CB-CH2 4.22Å; H183-W332 HydrophobicContact CB-CZ2 4.23Å; H183-W332 AromaticContact CD2-CD2 3.59Å; H183-W332 AromaticContact CD2-CE2 3.8Å; H183-W332 AromaticContact CD2-CE3 3.92Å; H183-W332 AromaticContact CD2-CG 3.87Å; I195-W332 HydrophobicContact CD1-CZ3 4.39Å; I195-W332 HydrophobicContact CG1-CZ3 4.21Å; I195-W332 HydrophobicContact CG2-CE3 4.36Å; I195-W332 HydrophobicContact CG2-CZ3 3.91Å; L197-W332 HydrophobicContact CD1-CH2 4.18Å; L197-W332 HydrophobicContact CD1-CZ3 4.25Å; L197-W332 HydrophobicContact CG-CH2 4.02Å; L197-W332 HydrophobicContact CG-CZ3 4.09Å; F329-W332 HydrophobicContact CB-CE3 4.4Å; F329-W332 PolarHBondContact O-N 2.97Å; S330-W332 PolarHBondContact O-N 2.79Å; W332-Q334 VanDerWaalsContact C-N 3.34Å; W332-Q334 PolarHBondContact O-N 2.82Å; W332-A335 PolarHBondContact O-N 3.32Å; W332-E336 HydrophobicContact CD2-CG 4.29Å; W332-E336 HydrophobicContact CZ2-CG 4.01Å; W332-E336 PolarHBondContact NE1-OE1 2.94Å; W332-E336 WeakPolarHBondContact O-CG 3.49Å; W332-E336 PolarHBondContact O-N 3.34Å
333	V	89.5	Confident	84.8	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.9	-49.6	177.4	169.2	0	0	0	0	110.2	V141 I195 L197 L215 F329 S330 A335 E336 I337	V141-V333 HydrophobicContact CG2-CG1 4.42Å; I195-V333 HydrophobicContact CD1-CG2 4.18Å; L197-V333 HydrophobicContact CD2-CG1 4.12Å; L197-V333 HydrophobicContact CD2-CG2 4.48Å; L215-V333 HydrophobicContact CD1-CG1 3.7Å; L215-V333 HydrophobicContact CD2-CG1 4.44Å; F329-V333 HydrophobicContact CB-CG2 4.46Å; F329-V333 WeakPolarHBondContact O-CG2 3.39Å; F329-V333 PolarHBondContact O-N 3.5Å; S330-V333 PolarHBondContact O-N 2.91Å; V333-A335 PolarHBondContact O-N 3.28Å; V333-E336 PolarHBondContact O-N 3.13Å; V333-I337 HydrophobicContact CG1-CD1 3.65Å; V333-I337 HydrophobicContact CG1-CG1 4.47Å; V333-I337 VanDerWaalsContact O-CG1 3.27Å; V333-I337 WeakPolarHBondContact O-CG1 3.47Å; V333-I337 PolarHBondContact O-N 2.92Å
334	Q	85.3	Confident	84	Confident	102 Å²	102	53.7 Å²	53.7	48%	0.477	28%	0.282	S	S	.	.	H	α-helix	trans	-64.7	-41.2	-179.7	-171	167.4	35.3	0	0	111.8	S330 W332 E336 I337 Q338	S330-Q334 VanDerWaalsContact O-CB 3.31Å; S330-Q334 WeakPolarHBondContact O-CB 3.3Å; S330-Q334 PolarHBondContact O-N 2.85Å; W332-Q334 VanDerWaalsContact C-N 3.34Å; W332-Q334 PolarHBondContact O-N 2.82Å; Q334-E336 PolarHBondContact O-N 3.32Å; Q334-I337 PolarHBondContact O-N 2.88Å; Q334-Q338 HydrophobicContact CG-CG 4.27Å; Q334-Q338 VanDerWaalsContact O-CB 3.3Å; Q334-Q338 WeakPolarHBondContact O-CB 3.35Å; Q334-Q338 VanDerWaalsContact O-CG 3.29Å; Q334-Q338 WeakPolarHBondContact O-CG 3.06Å; Q334-Q338 PolarHBondContact O-N 3.38Å
335	A	85.8	Confident	83.1	Confident	53 Å²	53	54.4 Å²	54.4	44%	0.438	29%	0.288	S	S	.	.	H	α-helix	trans	-61.1	-44.5	176.3	0	0	0	0	0	111.8	D331 W332 V333 Q338 K339	D331-A335 WeakPolarHBondContact O-CB 3.25Å; D331-A335 PolarHBondContact O-N 3.09Å; W332-A335 PolarHBondContact O-N 3.32Å; V333-A335 PolarHBondContact O-N 3.28Å; A335-Q338 PolarHBondContact O-N 3.08Å; A335-K339 WeakPolarHBondContact O-CG 3.35Å; A335-K339 PolarHBondContact O-N 2.95Å; A335-K339 VanDerWaalsContact O-N 3.17Å
336	E	85.6	Confident	82.4	Confident	22 Å²	22	52.6 Å²	52.6	10%	0.103	28%	0.281	C	S	.	.	H	α-helix	trans	-65.2	-42	177.5	-69.4	-60.7	153.4	0	0	112.6	I181 L197 W332 V333 Q334 Q338 K339	I181-E336 HydrophobicContact CG2-CG 4.46Å; L197-E336 HydrophobicContact CD1-CB 3.4Å; L197-E336 HydrophobicContact CD1-CG 3.97Å; W332-E336 HydrophobicContact CD2-CG 4.29Å; W332-E336 HydrophobicContact CZ2-CG 4.01Å; W332-E336 PolarHBondContact NE1-OE1 2.94Å; W332-E336 WeakPolarHBondContact O-CG 3.49Å; W332-E336 PolarHBondContact O-N 3.34Å; V333-E336 PolarHBondContact O-N 3.13Å; Q334-E336 PolarHBondContact O-N 3.32Å; E336-Q338 VanDerWaalsContact C-N 3.35Å; E336-K339 PolarHBondContact O-N 3.09Å; E336-K339 IonicContact OE1-NZ 3.91Å; E336-K339 PolarHBondContact OE1-NZ 2.95Å; E336-K339 WeakPolarHBondContact OE2-CD 3.3Å; E336-K339 VanDerWaalsContact OE2-CE 3.32Å; E336-K339 WeakPolarHBondContact OE2-CE 3.33Å; E336-K339 IonicContact OE2-NZ 3.76Å; E336-K339 PolarHBondContact OE2-NZ 3.1Å
337	I	83.3	Confident	81.6	Confident	44 Å²	44	53.3 Å²	53.3	23%	0.226	29%	0.285	C	S	.	.	H	α-helix	trans	-65.2	-38.6	178.4	-69.1	172.7	0	0	0	111.3	V135 W139 V333 Q334	V135-I337 HydrophobicContact CG2-CD1 4.11Å; W139-I337 HydrophobicContact CB-CD1 4.27Å; W139-I337 HydrophobicContact CB-CG1 4.31Å; W139-I337 HydrophobicContact CD2-CG1 3.77Å; W139-I337 HydrophobicContact CE3-CG1 4.16Å; W139-I337 HydrophobicContact CG-CD1 4.29Å; W139-I337 HydrophobicContact CG-CG1 3.84Å; W139-I337 HydrophobicContact CG-CG2 4.45Å; V333-I337 HydrophobicContact CG1-CD1 3.65Å; V333-I337 HydrophobicContact CG1-CG1 4.47Å; V333-I337 VanDerWaalsContact O-CG1 3.27Å; V333-I337 WeakPolarHBondContact O-CG1 3.47Å; V333-I337 PolarHBondContact O-N 2.92Å; Q334-I337 PolarHBondContact O-N 2.88Å
338	Q	79.4	Confident	80.9	Confident	133 Å²	133	53.3 Å²	53.3	62%	0.621	29%	0.285	S	S	*	.	H	α-helix	trans	-88.6	-0.8	-176.3	-67.1	178.4	-3.7	0	0	114.3	Q334 A335 E336 S340	Q334-Q338 HydrophobicContact CG-CG 4.27Å; Q334-Q338 VanDerWaalsContact O-CB 3.3Å; Q334-Q338 WeakPolarHBondContact O-CB 3.35Å; Q334-Q338 VanDerWaalsContact O-CG 3.29Å; Q334-Q338 WeakPolarHBondContact O-CG 3.06Å; Q334-Q338 PolarHBondContact O-N 3.38Å; A335-Q338 PolarHBondContact O-N 3.08Å; E336-Q338 VanDerWaalsContact C-N 3.35Å; Q338-S340 PolarHBondContact O-N 2.71Å
339	K	75.4	Confident	80.2	Confident	76 Å²	76	53.7 Å²	53.7	33%	0.33	28%	0.283	S	S	.	.			trans	-56.3	124.3	178.9	-92	172.8	-167.6	178.8	0	111.3	A335 E336 R344	A335-K339 WeakPolarHBondContact O-CG 3.35Å; A335-K339 PolarHBondContact O-N 2.95Å; A335-K339 VanDerWaalsContact O-N 3.17Å; E336-K339 PolarHBondContact O-N 3.09Å; E336-K339 IonicContact OE1-NZ 3.91Å; E336-K339 PolarHBondContact OE1-NZ 2.95Å; E336-K339 WeakPolarHBondContact OE2-CD 3.3Å; E336-K339 VanDerWaalsContact OE2-CE 3.32Å; E336-K339 WeakPolarHBondContact OE2-CE 3.33Å; E336-K339 IonicContact OE2-NZ 3.76Å; E336-K339 PolarHBondContact OE2-NZ 3.1Å; K339-R344 HydrophobicContact CB-CB 4.38Å
340	S	66.8	Low	79.6	Confident	74 Å²	74	55.2 Å²	55.2	52%	0.517	29%	0.29	S	S	.	.			trans	-64.8	153.9	176.6	70	0	0	0	0	111.5	Q338 R342 S343	Q338-S340 PolarHBondContact O-N 2.71Å; S340-R342 PolarHBondContact O-N 2.8Å; S340-S343 PolarHBondContact N-OG 2.77Å; S340-S343 VanDerWaalsContact N-OG 3.11Å; S340-S343 PolarHBondContact O-N 3.37Å; S340-S343 PolarHBondContact O-OG 2.04Å; S340-S343 PolarHBondContact OG-OG 2.92Å
341	L	65.8	Low	79.5	Confident	87 Å²	87	54.3 Å²	54.3	46%	0.455	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-32.3	-177.6	-72.5	163.9	0	0	0	114.6	R344 E350	L341-R344 VanDerWaalsContact CD2-NH2 3.32Å; L341-E350 VanDerWaalsContact CD2-CD 3.5Å; L341-E350 HydrophobicContact CD2-CG 4.38Å; L341-E350 WeakPolarHBondContact CD2-OE1 3.31Å
342	R	66.9	Low	79.4	Confident	155 Å²	155	49.6 Å²	49.6	59%	0.585	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-17.4	-178.9	-63.7	-177.7	178.4	176.2	2.2	114.5	S340 S368	S340-R342 PolarHBondContact O-N 2.8Å; R342-S368 PolarHBondContact NE-OG 2.89Å; R342-S368 VanDerWaalsContact NE-OG 3.12Å; R342-S368 PolarHBondContact NH2-OG 3.25Å
343	S	72.2	Confident	79.2	Confident	41 Å²	41	55 Å²	55	29%	0.287	28%	0.283	S	S	.	.	S	Bend	trans	-97.1	2.9	-176.8	67.1	0	0	0	0	113.2	S340 F372	S340-S343 PolarHBondContact N-OG 2.77Å; S340-S343 VanDerWaalsContact N-OG 3.11Å; S340-S343 PolarHBondContact O-N 3.37Å; S340-S343 PolarHBondContact O-OG 2.04Å; S340-S343 PolarHBondContact OG-OG 2.92Å; S343-F372 WeakPolarHBondContact O-CD2 3.4Å
344	R	78.9	Confident	79	Confident	26 Å²	26	55 Å²	55	10%	0.098	28%	0.283	C	S	.	.	S	Bend	trans	-136.8	161.2	-178.5	63.6	161	176.5	82.6	-12.5	112.5	K339 L341 E350 F372	K339-R344 HydrophobicContact CB-CB 4.38Å; L341-R344 VanDerWaalsContact CD2-NH2 3.32Å; R344-E350 IonicContact CZ-OE1 3.68Å; R344-E350 IonicContact CZ-OE2 2.71Å; R344-E350 IonicContact NH1-OE1 3.65Å; R344-E350 PolarHBondContact NH1-OE1 2.92Å; R344-E350 IonicContact NH1-OE2 2.65Å; R344-E350 PolarHBondContact NH1-OE2 3.35Å; R344-E350 IonicContact NH2-OE1 2.85Å; R344-E350 PolarHBondContact NH2-OE1 3.4Å; R344-E350 IonicContact NH2-OE2 3.43Å; R344-F372 VanDerWaalsContact C-CD2 3.4Å; R344-F372 VanDerWaalsContact CA-CD2 3.43Å; R344-F372 WeakPolarHBondContact O-CB 3.08Å; R344-F372 WeakPolarHBondContact O-CG 3.45Å
345	A	79.2	Confident	78.9	Confident	16 Å²	16	53.2 Å²	53.2	13%	0.132	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-59.7	136.7	171.3	0	0	0	0	0	110.4	F372	A345-F372 VanDerWaalsContact CA-CD1 3.45Å; A345-F372 HydrophobicContact CB-CD1 3.87Å; A345-F372 HydrophobicContact CB-CE1 3.7Å; A345-F372 HydrophobicContact CB-CZ 4.44Å
346	P	80.5	Confident	78.8	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-71.8	145.1	-179.5	29.5	-35.9	0	0	0	111.6	E350 L351 L369 Y373 R397	P346-E350 WeakPolarHBondContact CA-OE2 3.38Å; P346-L351 HydrophobicContact CB-CD1 4.47Å; P346-L351 HydrophobicContact CB-CD2 4.13Å; P346-L351 HydrophobicContact CB-CG 4Å; P346-L351 HydrophobicContact CG-CD1 4.12Å; P346-L351 HydrophobicContact CG-CD2 3.97Å; P346-L351 HydrophobicContact CG-CG 4.06Å; P346-L369 HydrophobicContact CB-CB 3.96Å; P346-L369 HydrophobicContact CB-CD2 4.16Å; P346-L369 HydrophobicContact CB-CG 4.49Å; P346-L369 HydrophobicContact CG-CB 4.37Å; P346-Y373 HydrophobicContact CG-CE2 4.2Å; P346-R397 PolarHBondContact O-NE 2.82Å; P346-R397 PolarHBondContact O-NH2 2.77Å
347	T	77.3	Confident	78.9	Confident	14 Å²	14	59.5 Å²	59.5	9%	0.086	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-76.6	156.8	178.4	73.7	0	0	0	0	111	N178 E350 L351	N178-T347 WeakPolarHBondContact ND2-CB 3.34Å; N178-T347 WeakPolarHBondContact ND2-CG2 3.4Å; N178-T347 WeakPolarHBondContact OD1-CA 3.43Å; N178-T347 WeakPolarHBondContact OD1-CB 3.48Å; T347-E350 PolarHBondContact N-OE2 3.27Å; T347-E350 PolarHBondContact O-N 2.87Å; T347-E350 WeakPolarHBondContact OG1-CB 3.45Å; T347-E350 WeakPolarHBondContact OG1-CG 3.43Å; T347-E350 PolarHBondContact OG1-N 3.48Å; T347-E350 PolarHBondContact OG1-OE1 2.03Å; T347-E350 PolarHBondContact OG1-OE2 3.48Å; T347-L351 WeakPolarHBondContact O-CB 3.39Å; T347-L351 WeakPolarHBondContact O-CG 3.32Å; T347-L351 PolarHBondContact O-N 2.98Å
348	C	78	Confident	79.2	Confident	22 Å²	22	61.2 Å²	61.2	15%	0.149	32%	0.317	C	S	.	.	H	α-helix	trans	-59.1	-42.6	174.3	-78.6	0	0	0	0	112.9	N178 E350 L351 L352 C401	N178-C348 PolarHBondContact OD1-N 3.22Å; C348-E350 PolarHBondContact O-N 3.37Å; C348-L351 PolarHBondContact O-N 3.25Å; C348-L352 WeakPolarHBondContact O-CB 3.38Å; C348-L352 WeakPolarHBondContact O-CG 3.1Å; C348-L352 PolarHBondContact O-N 2.75Å; C348-C401 WeakPolarHBondContact CA-SG 3.09Å; C348-C401 HydrophobicContact CB-CB 3.61Å; C348-C401 WeakPolarHBondContact CB-SG 3.38Å; C348-C401 WeakPolarHBondContact SG-CB 3.01Å; C348-C401 CovalentContact SG-SG 2.04Å; C348-C401 PolarHBondContact SG-SG 3.4Å
349	P	77.1	Confident	79.4	Confident	60 Å²	60	62.6 Å²	62.6	39%	0.39	32%	0.324	S	S	.	.	H	α-helix	trans	-58.5	-42.4	173.2	-27	35.5	0	0	0	114.1	T201 L352 K353	T201-P349 WeakPolarHBondContact O-CG 3.46Å; P349-L352 PolarHBondContact O-N 3.37Å; P349-K353 WeakPolarHBondContact O-CB 3.33Å; P349-K353 PolarHBondContact O-N 2.91Å
350	E	81.3	Confident	79.9	Confident	41 Å²	41	67 Å²	67	19%	0.192	35%	0.346	C	S	.	.	H	α-helix	trans	-60.5	-47.2	176.6	-77.1	157.7	-165.6	0	0	111.8	L341 R344 P346 T347 C348 K353 L369	L341-E350 VanDerWaalsContact CD2-CD 3.5Å; L341-E350 HydrophobicContact CD2-CG 4.38Å; L341-E350 WeakPolarHBondContact CD2-OE1 3.31Å; R344-E350 IonicContact CZ-OE1 3.68Å; R344-E350 IonicContact CZ-OE2 2.71Å; R344-E350 IonicContact NH1-OE1 3.65Å; R344-E350 PolarHBondContact NH1-OE1 2.92Å; R344-E350 IonicContact NH1-OE2 2.65Å; R344-E350 PolarHBondContact NH1-OE2 3.35Å; R344-E350 IonicContact NH2-OE1 2.85Å; R344-E350 PolarHBondContact NH2-OE1 3.4Å; R344-E350 IonicContact NH2-OE2 3.43Å; P346-E350 WeakPolarHBondContact CA-OE2 3.38Å; T347-E350 PolarHBondContact N-OE2 3.27Å; T347-E350 PolarHBondContact O-N 2.87Å; T347-E350 WeakPolarHBondContact OG1-CB 3.45Å; T347-E350 WeakPolarHBondContact OG1-CG 3.43Å; T347-E350 PolarHBondContact OG1-N 3.48Å; T347-E350 PolarHBondContact OG1-OE1 2.03Å; T347-E350 PolarHBondContact OG1-OE2 3.48Å; C348-E350 PolarHBondContact O-N 3.37Å; E350-K353 PolarHBondContact O-N 3.45Å; E350-L369 HydrophobicContact CB-CD1 4.22Å; E350-L369 HydrophobicContact CB-CD2 4.24Å
351	L	84.8	Confident	80.8	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-62.4	-47.1	177.8	-79.7	-179.7	0	0	0	111.5	P346 T347 C348 K353 T354 F366 L369 R397 F398	P346-L351 HydrophobicContact CB-CD1 4.47Å; P346-L351 HydrophobicContact CB-CD2 4.13Å; P346-L351 HydrophobicContact CB-CG 4Å; P346-L351 HydrophobicContact CG-CD1 4.12Å; P346-L351 HydrophobicContact CG-CD2 3.97Å; P346-L351 HydrophobicContact CG-CG 4.06Å; T347-L351 WeakPolarHBondContact O-CB 3.39Å; T347-L351 WeakPolarHBondContact O-CG 3.32Å; T347-L351 PolarHBondContact O-N 2.98Å; C348-L351 PolarHBondContact O-N 3.25Å; L351-K353 VanDerWaalsContact C-N 3.35Å; L351-K353 PolarHBondContact O-N 2.99Å; L351-T354 WeakPolarHBondContact O-CB 3.26Å; L351-T354 PolarHBondContact O-N 3.18Å; L351-T354 PolarHBondContact O-OG1 3.3Å; L351-F366 HydrophobicContact CD2-CD2 4.27Å; L351-F366 HydrophobicContact CD2-CE2 3.98Å; L351-L369 HydrophobicContact CD2-CD1 4.3Å; L351-R397 HydrophobicContact CD1-CB 4.28Å; L351-R397 HydrophobicContact CD1-CG 3.81Å; L351-F398 HydrophobicContact CB-CD2 3.99Å; L351-F398 HydrophobicContact CD1-CB 4.41Å; L351-F398 VanDerWaalsContact O-CE2 3.3Å; L351-F398 WeakPolarHBondContact O-CE2 3.24Å
352	L	83.8	Confident	81.7	Confident	37 Å²	37	67.1 Å²	67.1	19%	0.194	34%	0.336	C	S	.	.	H	α-helix	trans	-67.5	-33.5	-179.6	-68.6	170.1	0	0	0	112.5	C348 P349 T354 T355 C401 Q402	C348-L352 WeakPolarHBondContact O-CB 3.38Å; C348-L352 WeakPolarHBondContact O-CG 3.1Å; C348-L352 PolarHBondContact O-N 2.75Å; P349-L352 PolarHBondContact O-N 3.37Å; L352-T354 PolarHBondContact O-N 2.87Å; L352-T354 VanDerWaalsContact O-N 3.1Å; L352-T355 PolarHBondContact O-N 3.48Å; L352-T355 PolarHBondContact O-OG1 2.63Å; L352-C401 HydrophobicContact CD1-CB 4.39Å; L352-C401 HydrophobicContact CD2-CB 4.34Å; L352-C401 HydrophobicContact CG-CB 4.22Å; L352-Q402 HydrophobicContact CD2-CB 4.31Å; L352-Q402 HydrophobicContact CD2-CG 3.61Å
353	K	85.5	Confident	82.4	Confident	152 Å²	152	68.7 Å²	68.7	66%	0.661	34%	0.341	S	S	*	.	H	α-helix	trans	-57.9	-26.4	175.9	-170.1	178	-179.4	-176.6	0	113.1	P349 E350 L351 T355 D356	P349-K353 WeakPolarHBondContact O-CB 3.33Å; P349-K353 PolarHBondContact O-N 2.91Å; E350-K353 PolarHBondContact O-N 3.45Å; L351-K353 VanDerWaalsContact C-N 3.35Å; L351-K353 PolarHBondContact O-N 2.99Å; K353-T355 PolarHBondContact O-N 3.4Å; K353-D356 PolarHBondContact O-N 3.28Å
354	T	85.3	Confident	83	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.006	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-65.3	-18.7	176.6	69.6	0	0	0	0	113.6	L351 L352 D356 M357 Q362 E365 L369	L351-T354 WeakPolarHBondContact O-CB 3.26Å; L351-T354 PolarHBondContact O-N 3.18Å; L351-T354 PolarHBondContact O-OG1 3.3Å; L352-T354 PolarHBondContact O-N 2.87Å; L352-T354 VanDerWaalsContact O-N 3.1Å; T354-D356 PolarHBondContact O-N 3.4Å; T354-M357 PolarHBondContact O-N 3.1Å; T354-Q362 WeakPolarHBondContact O-CG 3.49Å; T354-E365 HydrophobicContact CG2-CB 4.4Å; T354-E365 HydrophobicContact CG2-CG 4.13Å; T354-L369 HydrophobicContact CG2-CD1 3.96Å
355	T	84.3	Confident	83.4	Confident	63 Å²	63	73.2 Å²	73.2	39%	0.387	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-73	-17.7	177.3	61	0	0	0	0	113.7	L352 K353 M357 F398	L352-T355 PolarHBondContact O-N 3.48Å; L352-T355 PolarHBondContact O-OG1 2.63Å; K353-T355 PolarHBondContact O-N 3.4Å; T355-M357 VanDerWaalsContact C-N 3.33Å; T355-F398 HydrophobicContact CG2-CE2 3.98Å; T355-F398 HydrophobicContact CG2-CZ 3.62Å
356	D	84.5	Confident	83.6	Confident	139 Å²	139	74.1 Å²	74.1	74%	0.743	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-92.2	1.4	-177.8	-57.1	-25	0	0	0	112.1	K353 T354	K353-D356 PolarHBondContact O-N 3.28Å; T354-D356 PolarHBondContact O-N 3.4Å
357	M	86.7	Confident	83.8	Confident	68 Å²	68	77.4 Å²	77.4	34%	0.335	39%	0.393	S	S	.	.	S	Bend	trans	-98.8	166.4	-175.5	-55.1	-178.9	84.4	0	0	111.9	T354 T355 E361 Q362 E365	T354-M357 PolarHBondContact O-N 3.1Å; T355-M357 VanDerWaalsContact C-N 3.33Å; M357-E361 HydrophobicContact CB-CB 4.12Å; M357-E361 HydrophobicContact CE-CB 3.86Å; M357-Q362 HydrophobicContact CB-CB 4.39Å; M357-E365 HydrophobicContact CE-CB 4.4Å; M357-E365 HydrophobicContact SD-CB 4.11Å; M357-E365 HydrophobicContact SD-CG 4.21Å
358	T	88.9	Confident	84.1	Confident	81 Å²	81	78 Å²	78	50%	0.497	40%	0.398	S	S	.	.			trans	-68.5	158.3	171.1	63.2	0	0	0	0	111.2	E360 E361 Q362	T358-E360 VanDerWaalsContact C-N 3.26Å; T358-E360 PolarHBondContact O-N 3.24Å; T358-E361 PolarHBondContact N-OE2 3.25Å; T358-E361 PolarHBondContact O-N 3.2Å; T358-E361 WeakPolarHBondContact OG1-CB 3.25Å; T358-E361 VanDerWaalsContact OG1-CG 3.23Å; T358-E361 WeakPolarHBondContact OG1-CG 3.38Å; T358-E361 PolarHBondContact OG1-OE2 3.18Å; T358-Q362 VanDerWaalsContact O-CB 3.25Å; T358-Q362 WeakPolarHBondContact O-CB 3.37Å; T358-Q362 PolarHBondContact O-N 3.48Å
359	E	84.8	Confident	84.5	Confident	161 Å²	161	77.3 Å²	77.3	75%	0.752	39%	0.392	S	S	*	.	H	α-helix	trans	-58.3	-34.6	-174.8	-65.8	-171.1	168.3	0	0	113.8	R363	E359-R363 PolarHBondContact O-N 2.84Å
360	E	84.7	Confident	84.8	Confident	170 Å²	170	74.7 Å²	74.7	79%	0.794	38%	0.375	S	S	*	.	H	α-helix	trans	-72.7	-45.2	178.4	-68.3	-179.9	175.2	0	0	111.7	T358 R363 S364	T358-E360 VanDerWaalsContact C-N 3.26Å; T358-E360 PolarHBondContact O-N 3.24Å; E360-R363 PolarHBondContact O-N 3.32Å; E360-S364 PolarHBondContact O-N 3.3Å
361	E	85.8	Confident	85	Confident	99 Å²	99	77 Å²	77	46%	0.463	39%	0.386	S	S	.	.	H	α-helix	trans	-66.7	-42.1	177.2	-68.7	171.2	143.3	0	0	111.5	M357 T358 R363 S364 E365	M357-E361 HydrophobicContact CB-CB 4.12Å; M357-E361 HydrophobicContact CE-CB 3.86Å; T358-E361 PolarHBondContact N-OE2 3.25Å; T358-E361 PolarHBondContact O-N 3.2Å; T358-E361 WeakPolarHBondContact OG1-CB 3.25Å; T358-E361 VanDerWaalsContact OG1-CG 3.23Å; T358-E361 WeakPolarHBondContact OG1-CG 3.38Å; T358-E361 PolarHBondContact OG1-OE2 3.18Å; E361-R363 VanDerWaalsContact C-N 3.32Å; E361-R363 PolarHBondContact O-N 2.04Å; E361-S364 PolarHBondContact O-N 3.4Å; E361-E365 WeakPolarHBondContact O-CB 3.09Å; E361-E365 PolarHBondContact O-N 3.45Å
362	Q	84.6	Confident	84.9	Confident	64 Å²	64	79.1 Å²	79.1	30%	0.299	40%	0.395	S	S	.	.	H	α-helix	trans	-56.5	-46.6	176.1	179.3	179.3	0.1	0	0	110.6	T354 M357 T358 S364 F366	T354-Q362 WeakPolarHBondContact O-CG 3.49Å; M357-Q362 HydrophobicContact CB-CB 4.39Å; T358-Q362 VanDerWaalsContact O-CB 3.25Å; T358-Q362 WeakPolarHBondContact O-CB 3.37Å; T358-Q362 PolarHBondContact O-N 3.48Å; Q362-S364 PolarHBondContact O-N 2.92Å; Q362-F366 WeakPolarHBondContact O-CB 3.21Å; Q362-F366 PolarHBondContact O-N 3.13Å
363	R	83.1	Confident	85	Confident	187 Å²	187	78.7 Å²	78.7	71%	0.706	39%	0.391	S	S	*	.	H	α-helix	trans	-63.6	-43.3	-179.8	-170.5	-172.8	-56.8	-102.4	-1.1	111.9	E359 E360 E361 S367	E359-R363 PolarHBondContact O-N 2.84Å; E360-R363 PolarHBondContact O-N 3.32Å; E361-R363 VanDerWaalsContact C-N 3.32Å; E361-R363 PolarHBondContact O-N 2.04Å; R363-S367 VanDerWaalsContact O-CB 3.28Å; R363-S367 WeakPolarHBondContact O-CB 3.42Å; R363-S367 PolarHBondContact O-N 3.44Å
364	S	85.1	Confident	84.8	Confident	83 Å²	83	73.2 Å²	73.2	58%	0.58	37%	0.37	S	S	*	.	H	α-helix	trans	-65.4	-50.3	179.4	-177.3	0	0	0	0	111.7	E360 E361 Q362 S367 S368	E360-S364 PolarHBondContact O-N 3.3Å; E361-S364 PolarHBondContact O-N 3.4Å; Q362-S364 PolarHBondContact O-N 2.92Å; S364-S367 PolarHBondContact O-N 3.42Å; S364-S368 PolarHBondContact O-N 2.75Å
365	E	85.7	Confident	84.7	Confident	79 Å²	79	78.4 Å²	78.4	37%	0.369	40%	0.397	S	S	.	.	H	α-helix	trans	-67.5	-43.4	-178.1	-170.1	63.2	-165.7	0	0	111.2	T354 M357 E361 S367 S368 L369	T354-E365 HydrophobicContact CG2-CB 4.4Å; T354-E365 HydrophobicContact CG2-CG 4.13Å; M357-E365 HydrophobicContact CE-CB 4.4Å; M357-E365 HydrophobicContact SD-CB 4.11Å; M357-E365 HydrophobicContact SD-CG 4.21Å; E361-E365 WeakPolarHBondContact O-CB 3.09Å; E361-E365 PolarHBondContact O-N 3.45Å; E365-S367 PolarHBondContact O-N 2.91Å; E365-S368 WeakPolarHBondContact O-CB 3.38Å; E365-S368 PolarHBondContact O-N 2.77Å; E365-S368 VanDerWaalsContact O-N 3.13Å; E365-L369 HydrophobicContact CG-CD1 4.4Å; E365-L369 WeakPolarHBondContact O-CG 3.47Å; E365-L369 PolarHBondContact O-N 3.15Å
366	F	84.4	Confident	84.4	Confident	35 Å²	35	78.3 Å²	78.3	15%	0.154	40%	0.397	C	S	.	.	H	α-helix	trans	-59.2	-46.3	175.4	-168.7	-92.4	0	0	0	111.1	L351 Q362 S368 L369 C370 C394 L395 F398	L351-F366 HydrophobicContact CD2-CD2 4.27Å; L351-F366 HydrophobicContact CD2-CE2 3.98Å; Q362-F366 WeakPolarHBondContact O-CB 3.21Å; Q362-F366 PolarHBondContact O-N 3.13Å; F366-S368 VanDerWaalsContact C-N 3.3Å; F366-S368 PolarHBondContact O-N 3.04Å; F366-L369 PolarHBondContact O-N 3.18Å; F366-C370 VanDerWaalsContact CD1-SG 3.51Å; F366-C370 WeakPolarHBondContact CE1-SG 3.44Å; F366-C370 WeakPolarHBondContact O-CB 3.5Å; F366-C370 PolarHBondContact O-N 3.03Å; F366-C370 PolarHBondContact O-SG 3.48Å; F366-C394 HydrophobicContact CZ-CB 4.49Å; F366-L395 HydrophobicContact CZ-CD1 4.16Å; F366-F398 HydrophobicContact CE2-CB 3.82Å; F366-F398 HydrophobicContact CE2-CD1 4.43Å; F366-F398 AromaticContact CE2-CD2 3.84Å; F366-F398 HydrophobicContact CE2-CD2 3.84Å; F366-F398 AromaticContact CE2-CG 3.78Å; F366-F398 HydrophobicContact CE2-CG 3.78Å; F366-F398 HydrophobicContact CZ-CB 4.12Å; F366-F398 HydrophobicContact CZ-CG 4.41Å
367	S	83.7	Confident	84.2	Confident	70 Å²	70	73.2 Å²	73.2	49%	0.49	37%	0.372	S	S	.	.	H	α-helix	trans	-60.2	-40.2	175.3	-171.9	0	0	0	0	112.1	R363 S364 E365 C370 H371	R363-S367 VanDerWaalsContact O-CB 3.28Å; R363-S367 WeakPolarHBondContact O-CB 3.42Å; R363-S367 PolarHBondContact O-N 3.44Å; S364-S367 PolarHBondContact O-N 3.42Å; E365-S367 PolarHBondContact O-N 2.91Å; S367-C370 PolarHBondContact O-N 3.38Å; S367-H371 PolarHBondContact O-N 3.16Å; S367-H371 VanDerWaalsContact O-N 3.14Å
368	S	85.4	Confident	83.9	Confident	27 Å²	27	73.2 Å²	73.2	19%	0.189	38%	0.377	C	S	.	.	H	α-helix	trans	-62.1	-46.2	176.6	-151	0	0	0	0	112.5	R342 S364 E365 F366 C370 H371	R342-S368 PolarHBondContact NE-OG 2.89Å; R342-S368 VanDerWaalsContact NE-OG 3.12Å; R342-S368 PolarHBondContact NH2-OG 3.25Å; S364-S368 PolarHBondContact O-N 2.75Å; E365-S368 WeakPolarHBondContact O-CB 3.38Å; E365-S368 PolarHBondContact O-N 2.77Å; E365-S368 VanDerWaalsContact O-N 3.13Å; F366-S368 VanDerWaalsContact C-N 3.3Å; F366-S368 PolarHBondContact O-N 3.04Å; S368-C370 VanDerWaalsContact C-N 3.33Å; S368-C370 PolarHBondContact O-N 3.45Å; S368-H371 VanDerWaalsContact O-CB 3.27Å; S368-H371 WeakPolarHBondContact O-CB 3.48Å; S368-H371 PolarHBondContact O-N 2.91Å
369	L	84.4	Confident	83.1	Confident	6 Å²	6	76.1 Å²	76.1	3%	0.031	40%	0.397	C	S	.	.	H	α-helix	trans	-65.3	-36.3	177.1	-70.6	174.9	0	0	0	112.2	P346 E350 L351 T354 E365 F366 H371	P346-L369 HydrophobicContact CB-CB 3.96Å; P346-L369 HydrophobicContact CB-CD2 4.16Å; P346-L369 HydrophobicContact CB-CG 4.49Å; P346-L369 HydrophobicContact CG-CB 4.37Å; E350-L369 HydrophobicContact CB-CD1 4.22Å; E350-L369 HydrophobicContact CB-CD2 4.24Å; L351-L369 HydrophobicContact CD2-CD1 4.3Å; T354-L369 HydrophobicContact CG2-CD1 3.96Å; E365-L369 HydrophobicContact CG-CD1 4.4Å; E365-L369 WeakPolarHBondContact O-CG 3.47Å; E365-L369 PolarHBondContact O-N 3.15Å; F366-L369 PolarHBondContact O-N 3.18Å; L369-H371 VanDerWaalsContact C-N 3.28Å; L369-H371 PolarHBondContact O-N 3.35Å
370	C	84.8	Confident	82.8	Confident	5 Å²	5	73.1 Å²	73.1	3%	0.034	39%	0.394	C	S	.	.	H	α-helix	trans	-78.2	-11.3	-179.5	-59.9	0	0	0	0	113.6	F366 S367 S368 F372 Y373 C394	F366-C370 VanDerWaalsContact CD1-SG 3.51Å; F366-C370 WeakPolarHBondContact CE1-SG 3.44Å; F366-C370 WeakPolarHBondContact O-CB 3.5Å; F366-C370 PolarHBondContact O-N 3.03Å; F366-C370 PolarHBondContact O-SG 3.48Å; S367-C370 PolarHBondContact O-N 3.38Å; S368-C370 VanDerWaalsContact C-N 3.33Å; S368-C370 PolarHBondContact O-N 3.45Å; C370-F372 PolarHBondContact O-N 3.32Å; C370-F372 VanDerWaalsContact O-N 3.12Å; C370-Y373 PolarHBondContact O-N 3.02Å; C370-C394 WeakPolarHBondContact CA-SG 3.27Å; C370-C394 HydrophobicContact CB-CB 3.55Å; C370-C394 WeakPolarHBondContact CB-SG 3.44Å; C370-C394 WeakPolarHBondContact SG-CB 3.09Å; C370-C394 CovalentContact SG-SG 2.02Å; C370-C394 PolarHBondContact SG-SG 3.42Å
371	H	84.4	Confident	82.6	Confident	90 Å²	90	69.3 Å²	69.3	42%	0.417	38%	0.376	S	S	.	.	H	α-helix	trans	-53.2	-37	-178.5	-175.8	67.3	0	0	0	112.6	S367 S368 L369 Y373 T374	S367-H371 PolarHBondContact O-N 3.16Å; S367-H371 VanDerWaalsContact O-N 3.14Å; S368-H371 VanDerWaalsContact O-CB 3.27Å; S368-H371 WeakPolarHBondContact O-CB 3.48Å; S368-H371 PolarHBondContact O-N 2.91Å; L369-H371 VanDerWaalsContact C-N 3.28Å; L369-H371 PolarHBondContact O-N 3.35Å; H371-Y373 PolarHBondContact O-N 2.95Å; H371-Y373 VanDerWaalsContact O-N 3.14Å; H371-T374 WeakPolarHBondContact O-CB 3.41Å; H371-T374 PolarHBondContact O-N 3.47Å; H371-T374 PolarHBondContact O-OG1 2.83Å
372	F	84.1	Confident	82.6	Confident	45 Å²	45	68.7 Å²	68.7	20%	0.197	38%	0.38	C	S	.	.	H	α-helix	trans	-51.5	-38.7	176.4	168.4	-100.6	0	0	0	113.6	S343 R344 A345 C370 T374 L375 T376	S343-F372 WeakPolarHBondContact O-CD2 3.4Å; R344-F372 VanDerWaalsContact C-CD2 3.4Å; R344-F372 VanDerWaalsContact CA-CD2 3.43Å; R344-F372 WeakPolarHBondContact O-CB 3.08Å; R344-F372 WeakPolarHBondContact O-CG 3.45Å; A345-F372 VanDerWaalsContact CA-CD1 3.45Å; A345-F372 HydrophobicContact CB-CD1 3.87Å; A345-F372 HydrophobicContact CB-CE1 3.7Å; A345-F372 HydrophobicContact CB-CZ 4.44Å; C370-F372 PolarHBondContact O-N 3.32Å; C370-F372 VanDerWaalsContact O-N 3.12Å; F372-T374 PolarHBondContact O-N 3.48Å; F372-L375 WeakPolarHBondContact O-CB 3.03Å; F372-L375 PolarHBondContact O-N 2.94Å; F372-T376 HydrophobicContact CD1-CG2 4.5Å; F372-T376 HydrophobicContact CE1-CG2 3.83Å; F372-T376 HydrophobicContact CE2-CG2 4.17Å; F372-T376 HydrophobicContact CZ-CG2 3.66Å; F372-T376 PolarHBondContact O-N 3.31Å
373	Y	84.5	Confident	82.4	Confident	27 Å²	27	69.5 Å²	69.5	11%	0.106	40%	0.398	C	S	.	.	H	α-helix	trans	-66.9	-24.2	-178.1	-68.3	-70.6	0	0	0	112.7	P346 C370 H371 L375 T376 K393 C394 R397	P346-Y373 HydrophobicContact CG-CE2 4.2Å; C370-Y373 PolarHBondContact O-N 3.02Å; H371-Y373 PolarHBondContact O-N 2.95Å; H371-Y373 VanDerWaalsContact O-N 3.14Å; Y373-L375 VanDerWaalsContact C-N 3.31Å; Y373-T376 PolarHBondContact O-N 2.88Å; Y373-T376 PolarHBondContact O-OG1 3.02Å; Y373-K393 HydrophobicContact CD1-CB 3.96Å; Y373-K393 HydrophobicContact CD1-CD 4.1Å; Y373-K393 HydrophobicContact CE1-CB 4.26Å; Y373-K393 HydrophobicContact CG-CB 4.2Å; Y373-C394 HydrophobicContact CD2-CB 3.65Å; Y373-C394 HydrophobicContact CE2-CB 3.72Å; Y373-R397 WeakPolarHBondContact OH-CD 3.48Å
374	T	82.9	Confident	82.3	Confident	37 Å²	37	63.5 Å²	63.5	23%	0.227	39%	0.389	C	S	.	.	H	α-helix	trans	-68	-33.1	173	71	0	0	0	0	111.8	H371 F372 T376 C377 C386 A390	H371-T374 WeakPolarHBondContact O-CB 3.41Å; H371-T374 PolarHBondContact O-N 3.47Å; H371-T374 PolarHBondContact O-OG1 2.83Å; F372-T374 PolarHBondContact O-N 3.48Å; T374-T376 PolarHBondContact O-N 3.09Å; T374-C377 WeakPolarHBondContact O-CB 3.22Å; T374-C377 PolarHBondContact O-N 3.47Å; T374-C386 PolarHBondContact O-SG 2.81Å; T374-A390 HydrophobicContact CG2-CB 3.56Å
375	L	81.4	Confident	82.3	Confident	110 Å²	110	60.8 Å²	60.8	58%	0.576	37%	0.372	S	S	*	.	H	α-helix	trans	-70.7	-21.5	176.7	-55.2	175.5	0	0	0	112.4	F372 Y373 C377	F372-L375 WeakPolarHBondContact O-CB 3.03Å; F372-L375 PolarHBondContact O-N 2.94Å; Y373-L375 VanDerWaalsContact C-N 3.31Å; L375-C377 VanDerWaalsContact C-N 3.35Å
376	T	79.1	Confident	82.2	Confident	62 Å²	62	57.7 Å²	57.7	38%	0.38	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	5.7	177.8	62.4	0	0	0	0	113.9	F372 Y373 T374	F372-T376 HydrophobicContact CD1-CG2 4.5Å; F372-T376 HydrophobicContact CE1-CG2 3.83Å; F372-T376 HydrophobicContact CE2-CG2 4.17Å; F372-T376 HydrophobicContact CZ-CG2 3.66Å; F372-T376 PolarHBondContact O-N 3.31Å; Y373-T376 PolarHBondContact O-N 2.88Å; Y373-T376 PolarHBondContact O-OG1 3.02Å; T374-T376 PolarHBondContact O-N 3.09Å
377	C	80.2	Confident	82.1	Confident	31 Å²	31	58.7 Å²	58.7	21%	0.209	37%	0.369	C	S	.	.	S	Bend	trans	-73.4	143.4	178.3	-74.4	0	0	0	0	112.2	T374 L375 C386	T374-C377 WeakPolarHBondContact O-CB 3.22Å; T374-C377 PolarHBondContact O-N 3.47Å; L375-C377 VanDerWaalsContact C-N 3.35Å; C377-C386 HydrophobicContact CB-CB 3.8Å; C377-C386 WeakPolarHBondContact CB-SG 3.42Å; C377-C386 WeakPolarHBondContact SG-CA 3.39Å; C377-C386 WeakPolarHBondContact SG-CB 3.27Å; C377-C386 CovalentContact SG-SG 2.03Å; C377-C386 PolarHBondContact SG-SG 3.27Å
378	P	79.1	Confident	82.2	Confident	68 Å²	68	63.3 Å²	63.3	44%	0.442	38%	0.376	S	S	.	.			trans	-60.2	140.8	169	-20	31.7	0	0	0	111.1	S380 Q381	P378-S380 PolarHBondContact O-N 3.3Å; P378-Q381 PolarHBondContact O-N 3.34Å
379	P	72.8	Confident	82.2	Confident	142 Å²	142	66.1 Å²	66.1	92%	0.922	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-11.8	-179.3	25.5	-33.5	0	0	0	113.7	Q381	P379-Q381 VanDerWaalsContact C-N 3.35Å
380	S	79.2	Confident	82.2	Confident	98 Å²	98	66 Å²	66	69%	0.685	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-4.9	-179.1	62.6	0	0	0	0	114.7	P378	P378-S380 PolarHBondContact O-N 3.3Å
381	Q	81.1	Confident	82.2	Confident	91 Å²	91	70.8 Å²	70.8	43%	0.425	41%	0.409	S	S	.	.	S	Bend	trans	-100.6	142	-174.5	-69.2	-65.7	-16.7	0	0	112.5	P378 P379	P378-Q381 PolarHBondContact O-N 3.34Å; P379-Q381 VanDerWaalsContact C-N 3.35Å
382	P	84.8	Confident	82.4	Confident	85 Å²	85	71.5 Å²	71.5	55%	0.552	42%	0.416	S	S	*	.			trans	-59.8	144.4	172.4	-20.7	31.1	0	0	0	112	A384 A385 C386	P382-A384 VanDerWaalsContact C-N 3.28Å; P382-A384 PolarHBondContact O-N 2.88Å; P382-A384 VanDerWaalsContact O-N 3.16Å; P382-A385 HydrophobicContact CB-CB 4.42Å; P382-A385 WeakPolarHBondContact O-CB 3.36Å; P382-A385 PolarHBondContact O-N 3.05Å; P382-C386 PolarHBondContact O-N 3.41Å
383	A	79.6	Confident	82.6	Confident	81 Å²	81	74.4 Å²	74.4	67%	0.669	43%	0.428	S	S	*	.	H	α-helix	trans	-52.6	-42.2	-177.5	0	0	0	0	0	113.3	A385 C386 S387	A383-A385 VanDerWaalsContact C-N 3.33Å; A383-A385 PolarHBondContact O-N 2.8Å; A383-C386 PolarHBondContact O-N 3.35Å; A383-S387 PolarHBondContact O-N 2.92Å; A383-S387 PolarHBondContact O-OG 3.31Å
384	A	81.6	Confident	82.8	Confident	62 Å²	62	73.1 Å²	73.1	51%	0.512	42%	0.423	S	S	.	.	H	α-helix	trans	-70.3	-25.2	178.7	0	0	0	0	0	114.3	P382 R388	P382-A384 VanDerWaalsContact C-N 3.28Å; P382-A384 PolarHBondContact O-N 2.88Å; P382-A384 VanDerWaalsContact O-N 3.16Å; A384-R388 PolarHBondContact O-NE 2.82Å; A384-R388 VanDerWaalsContact O-NE 3.12Å
385	A	84.4	Confident	83.1	Confident	26 Å²	26	74.6 Å²	74.6	22%	0.215	43%	0.43	C	S	.	.	H	α-helix	trans	-78	-41.3	172.6	0	0	0	0	0	110.1	P382 A383 R388 M389	P382-A385 HydrophobicContact CB-CB 4.42Å; P382-A385 WeakPolarHBondContact O-CB 3.36Å; P382-A385 PolarHBondContact O-N 3.05Å; A383-A385 VanDerWaalsContact C-N 3.33Å; A383-A385 PolarHBondContact O-N 2.8Å; A385-R388 PolarHBondContact O-N 2.87Å; A385-M389 WeakPolarHBondContact O-CG 3.38Å; A385-M389 PolarHBondContact O-N 2.94Å
386	C	84.8	Confident	83.4	Confident	14 Å²	14	72.9 Å²	72.9	10%	0.095	42%	0.424	C	S	.	.	H	α-helix	trans	-59.7	-46.5	175.2	170.4	0	0	0	0	112.4	T374 C377 P382 A383 R388 M389 A390	T374-C386 PolarHBondContact O-SG 2.81Å; C377-C386 HydrophobicContact CB-CB 3.8Å; C377-C386 WeakPolarHBondContact CB-SG 3.42Å; C377-C386 WeakPolarHBondContact SG-CA 3.39Å; C377-C386 WeakPolarHBondContact SG-CB 3.27Å; C377-C386 CovalentContact SG-SG 2.03Å; C377-C386 PolarHBondContact SG-SG 3.27Å; P382-C386 PolarHBondContact O-N 3.41Å; A383-C386 PolarHBondContact O-N 3.35Å; C386-R388 VanDerWaalsContact C-N 3.32Å; C386-R388 PolarHBondContact O-N 2.82Å; C386-M389 PolarHBondContact O-N 2.91Å; C386-A390 VanDerWaalsContact O-CB 3.3Å; C386-A390 WeakPolarHBondContact O-CB 3.14Å; C386-A390 PolarHBondContact O-N 2.94Å
387	S	82.9	Confident	83.7	Confident	55 Å²	55	72.2 Å²	72.2	39%	0.385	41%	0.414	S	S	.	.	H	α-helix	trans	-59.4	-41.6	177.9	-61.4	0	0	0	0	112.4	A383 A390 E391	A383-S387 PolarHBondContact O-N 2.92Å; A383-S387 PolarHBondContact O-OG 3.31Å; S387-A390 WeakPolarHBondContact O-CB 3.2Å; S387-A390 PolarHBondContact O-N 2.84Å; S387-E391 WeakPolarHBondContact O-CG 3.12Å; S387-E391 PolarHBondContact O-N 3Å
388	R	84.6	Confident	84.1	Confident	167 Å²	167	71.6 Å²	71.6	63%	0.63	41%	0.408	S	S	*	.	H	α-helix	trans	-64.3	-44.9	175.9	-76.7	-175.7	-87.4	179.5	-8.1	112.4	A384 A385 C386 A390 E391 D392	A384-R388 PolarHBondContact O-NE 2.82Å; A384-R388 VanDerWaalsContact O-NE 3.12Å; A385-R388 PolarHBondContact O-N 2.87Å; C386-R388 VanDerWaalsContact C-N 3.32Å; C386-R388 PolarHBondContact O-N 2.82Å; R388-A390 VanDerWaalsContact C-N 3.28Å; R388-A390 PolarHBondContact O-N 3.39Å; R388-E391 PolarHBondContact O-N 2.82Å; R388-D392 WeakPolarHBondContact O-CB 3.43Å; R388-D392 PolarHBondContact O-N 3.46Å
389	M	84.8	Confident	84.6	Confident	86 Å²	86	74.4 Å²	74.4	42%	0.424	41%	0.413	S	S	.	.	H	α-helix	trans	-62.8	-36.3	175.9	-69.2	178.8	72.2	0	0	112.4	A385 C386 K393	A385-M389 WeakPolarHBondContact O-CG 3.38Å; A385-M389 PolarHBondContact O-N 2.94Å; C386-M389 PolarHBondContact O-N 2.91Å; M389-K393 WeakPolarHBondContact O-CB 3.44Å; M389-K393 WeakPolarHBondContact O-CG 3.39Å; M389-K393 PolarHBondContact O-N 2.8Å
390	A	84.6	Confident	85.1	Confident	3 Å²	3	73.9 Å²	73.9	3%	0.025	40%	0.396	C	S	.	.	H	α-helix	trans	-67	-46.3	177.2	0	0	0	0	0	111.6	T374 C386 S387 R388 K393 C394	T374-A390 HydrophobicContact CG2-CB 3.56Å; C386-A390 VanDerWaalsContact O-CB 3.3Å; C386-A390 WeakPolarHBondContact O-CB 3.14Å; C386-A390 PolarHBondContact O-N 2.94Å; S387-A390 WeakPolarHBondContact O-CB 3.2Å; S387-A390 PolarHBondContact O-N 2.84Å; R388-A390 VanDerWaalsContact C-N 3.28Å; R388-A390 PolarHBondContact O-N 3.39Å; A390-K393 PolarHBondContact O-N 2.76Å; A390-C394 WeakPolarHBondContact O-CB 3.42Å; A390-C394 PolarHBondContact O-N 2.66Å
391	E	85.1	Confident	85.3	Confident	106 Å²	106	69.3 Å²	69.3	50%	0.495	36%	0.364	S	S	.	.	H	α-helix	trans	-59.9	-46.9	173.9	-76.4	177.5	179.1	0	0	111.6	S387 R388 K393 C394 L395	S387-E391 WeakPolarHBondContact O-CG 3.12Å; S387-E391 PolarHBondContact O-N 3Å; R388-E391 PolarHBondContact O-N 2.82Å; E391-K393 PolarHBondContact O-N 2.99Å; E391-C394 WeakPolarHBondContact O-CB 3.41Å; E391-C394 PolarHBondContact O-N 3.29Å; E391-C394 VanDerWaalsContact O-N 3.17Å; E391-L395 WeakPolarHBondContact O-CB 3.45Å; E391-L395 PolarHBondContact O-N 2.78Å
392	D	87.9	Confident	85.6	Confident	106 Å²	106	68.8 Å²	68.8	57%	0.567	36%	0.362	S	S	*	.	H	α-helix	trans	-61	-43.6	178.5	-84.4	-6.8	0	0	0	112.4	R388 C394 T396	R388-D392 WeakPolarHBondContact O-CB 3.43Å; R388-D392 PolarHBondContact O-N 3.46Å; D392-C394 VanDerWaalsContact C-N 3.34Å; D392-T396 VanDerWaalsContact O-CB 3.32Å; D392-T396 WeakPolarHBondContact O-CB 3.44Å; D392-T396 PolarHBondContact O-N 3.05Å; D392-T396 PolarHBondContact O-OG1 3.11Å
393	K	88.4	Confident	85.5	Confident	105 Å²	105	70 Å²	70	46%	0.457	36%	0.363	S	S	.	.	H	α-helix	trans	-61.1	-44.7	174.7	-80.8	-177.5	178.5	-179	0	111.2	Y373 M389 A390 E391 T396 R397	Y373-K393 HydrophobicContact CD1-CB 3.96Å; Y373-K393 HydrophobicContact CD1-CD 4.1Å; Y373-K393 HydrophobicContact CE1-CB 4.26Å; Y373-K393 HydrophobicContact CG-CB 4.2Å; M389-K393 WeakPolarHBondContact O-CB 3.44Å; M389-K393 WeakPolarHBondContact O-CG 3.39Å; M389-K393 PolarHBondContact O-N 2.8Å; A390-K393 PolarHBondContact O-N 2.76Å; E391-K393 PolarHBondContact O-N 2.99Å; K393-T396 PolarHBondContact O-N 3.12Å; K393-R397 PolarHBondContact O-N 3.08Å
394	C	89.1	Confident	85.3	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-66.1	-44.7	-179.6	-161.7	0	0	0	0	111.9	F366 C370 Y373 A390 E391 D392 T396 R397 F398	F366-C394 HydrophobicContact CZ-CB 4.49Å; C370-C394 WeakPolarHBondContact CA-SG 3.27Å; C370-C394 HydrophobicContact CB-CB 3.55Å; C370-C394 WeakPolarHBondContact CB-SG 3.44Å; C370-C394 WeakPolarHBondContact SG-CB 3.09Å; C370-C394 CovalentContact SG-SG 2.02Å; C370-C394 PolarHBondContact SG-SG 3.42Å; Y373-C394 HydrophobicContact CD2-CB 3.65Å; Y373-C394 HydrophobicContact CE2-CB 3.72Å; A390-C394 WeakPolarHBondContact O-CB 3.42Å; A390-C394 PolarHBondContact O-N 2.66Å; E391-C394 WeakPolarHBondContact O-CB 3.41Å; E391-C394 PolarHBondContact O-N 3.29Å; E391-C394 VanDerWaalsContact O-N 3.17Å; D392-C394 VanDerWaalsContact C-N 3.34Å; C394-T396 VanDerWaalsContact C-N 3.32Å; C394-T396 PolarHBondContact O-N 2.82Å; C394-R397 WeakPolarHBondContact O-CB 3.36Å; C394-R397 PolarHBondContact O-N 3.48Å; C394-R397 VanDerWaalsContact O-N 3.13Å; C394-F398 PolarHBondContact O-N 2.71Å
395	L	88.9	Confident	85.2	Confident	69 Å²	69	69.5 Å²	69.5	36%	0.361	34%	0.339	S	S	.	.	H	α-helix	trans	-62.7	-39.5	176.3	-167.3	75.4	0	0	0	111.6	F366 E391 R397 F398 K399	F366-L395 HydrophobicContact CZ-CD1 4.16Å; E391-L395 WeakPolarHBondContact O-CB 3.45Å; E391-L395 PolarHBondContact O-N 2.78Å; L395-R397 VanDerWaalsContact C-N 3.33Å; L395-R397 PolarHBondContact O-N 3.17Å; L395-F398 PolarHBondContact O-N 3.42Å; L395-K399 WeakPolarHBondContact O-CG 3.25Å; L395-K399 PolarHBondContact O-N 3.37Å
396	T	88.8	Confident	85.1	Confident	73 Å²	73	74.9 Å²	74.9	45%	0.448	36%	0.358	S	S	.	.	H	α-helix	trans	-61.2	-43	173.8	-60.4	0	0	0	0	111.1	D392 K393 C394 K400	D392-T396 VanDerWaalsContact O-CB 3.32Å; D392-T396 WeakPolarHBondContact O-CB 3.44Å; D392-T396 PolarHBondContact O-N 3.05Å; D392-T396 PolarHBondContact O-OG1 3.11Å; K393-T396 PolarHBondContact O-N 3.12Å; C394-T396 VanDerWaalsContact C-N 3.32Å; C394-T396 PolarHBondContact O-N 2.82Å; T396-K400 WeakPolarHBondContact O-CG 3.23Å; T396-K400 PolarHBondContact O-N 2.8Å; T396-K400 VanDerWaalsContact O-N 3.1Å
397	R	86.1	Confident	84.6	Confident	49 Å²	49	78.5 Å²	78.5	19%	0.185	38%	0.376	C	S	.	.	H	α-helix	trans	-64.6	-45.5	174.9	-174.4	174.2	177.8	86.9	1.3	111.4	P346 L351 Y373 K393 C394 L395 K399 K400 C401	P346-R397 PolarHBondContact O-NE 2.82Å; P346-R397 PolarHBondContact O-NH2 2.77Å; L351-R397 HydrophobicContact CD1-CB 4.28Å; L351-R397 HydrophobicContact CD1-CG 3.81Å; Y373-R397 WeakPolarHBondContact OH-CD 3.48Å; K393-R397 PolarHBondContact O-N 3.08Å; C394-R397 WeakPolarHBondContact O-CB 3.36Å; C394-R397 PolarHBondContact O-N 3.48Å; C394-R397 VanDerWaalsContact O-N 3.13Å; L395-R397 VanDerWaalsContact C-N 3.33Å; L395-R397 PolarHBondContact O-N 3.17Å; R397-K399 PolarHBondContact O-N 2.71Å; R397-K400 WeakPolarHBondContact O-CB 3.23Å; R397-K400 PolarHBondContact O-N 3.43Å; R397-C401 PolarHBondContact O-N 2.88Å; R397-C401 PolarHBondContact O-SG 2.87Å
398	F	87.9	Confident	84.1	Confident	17 Å²	17	79.7 Å²	79.7	8%	0.075	38%	0.375	C	S	.	.	H	α-helix	trans	-56.2	-49.2	177.2	176.3	-101.9	0	0	0	112.1	L351 T355 F366 C394 L395 K400 C401 Q402	L351-F398 HydrophobicContact CB-CD2 3.99Å; L351-F398 HydrophobicContact CD1-CB 4.41Å; L351-F398 VanDerWaalsContact O-CE2 3.3Å; L351-F398 WeakPolarHBondContact O-CE2 3.24Å; T355-F398 HydrophobicContact CG2-CE2 3.98Å; T355-F398 HydrophobicContact CG2-CZ 3.62Å; F366-F398 HydrophobicContact CE2-CB 3.82Å; F366-F398 HydrophobicContact CE2-CD1 4.43Å; F366-F398 AromaticContact CE2-CD2 3.84Å; F366-F398 HydrophobicContact CE2-CD2 3.84Å; F366-F398 AromaticContact CE2-CG 3.78Å; F366-F398 HydrophobicContact CE2-CG 3.78Å; F366-F398 HydrophobicContact CZ-CB 4.12Å; F366-F398 HydrophobicContact CZ-CG 4.41Å; C394-F398 PolarHBondContact O-N 2.71Å; L395-F398 PolarHBondContact O-N 3.42Å; F398-K400 VanDerWaalsContact C-N 3.34Å; F398-K400 PolarHBondContact O-N 2.69Å; F398-C401 WeakPolarHBondContact O-CB 3.01Å; F398-C401 PolarHBondContact O-N 3.03Å; F398-C401 VanDerWaalsContact O-N 3.1Å; F398-Q402 HydrophobicContact CD1-CG 4.48Å; F398-Q402 HydrophobicContact CE1-CG 4.09Å; F398-Q402 VanDerWaalsContact CE1-NE2 3.31Å; F398-Q402 HydrophobicContact CE2-CG 4.41Å; F398-Q402 HydrophobicContact CZ-CG 4.05Å; F398-Q402 PolarHBondContact O-N 3.2Å
399	K	88.3	Confident	83.7	Confident	127 Å²	127	75.4 Å²	75.4	55%	0.552	37%	0.368	S	S	*	.	H	α-helix	trans	-60	-41.8	175.9	-72.3	178.3	179.8	178.9	0	112.4	L395 R397 C401 Q402 L403	L395-K399 WeakPolarHBondContact O-CG 3.25Å; L395-K399 PolarHBondContact O-N 3.37Å; R397-K399 PolarHBondContact O-N 2.71Å; K399-C401 VanDerWaalsContact C-N 3.33Å; K399-C401 PolarHBondContact O-N 3.27Å; K399-Q402 PolarHBondContact O-N 2.8Å; K399-L403 PolarHBondContact O-N 2.7Å
400	K	84.6	Confident	83.3	Confident	131 Å²	131	75.1 Å²	75.1	57%	0.57	37%	0.368	S	S	*	.	H	α-helix	trans	-61.6	-41.4	174	-75.7	179.9	178.9	-176.4	0	111.7	T396 R397 F398 R404	T396-K400 WeakPolarHBondContact O-CG 3.23Å; T396-K400 PolarHBondContact O-N 2.8Å; T396-K400 VanDerWaalsContact O-N 3.1Å; R397-K400 WeakPolarHBondContact O-CB 3.23Å; R397-K400 PolarHBondContact O-N 3.43Å; F398-K400 VanDerWaalsContact C-N 3.34Å; F398-K400 PolarHBondContact O-N 2.69Å; K400-R404 WeakPolarHBondContact O-CB 3.45Å; K400-R404 WeakPolarHBondContact O-CG 3.32Å; K400-R404 PolarHBondContact O-N 2.97Å
401	C	83.4	Confident	82.7	Confident	2 Å²	2	78.7 Å²	78.7	1%	0.014	39%	0.386	C	S	.	.	H	α-helix	trans	-64.6	-42.9	176.6	-64.3	0	0	0	0	111.9	C348 L352 R397 F398 K399 R404 S405	C348-C401 WeakPolarHBondContact CA-SG 3.09Å; C348-C401 HydrophobicContact CB-CB 3.61Å; C348-C401 WeakPolarHBondContact CB-SG 3.38Å; C348-C401 WeakPolarHBondContact SG-CB 3.01Å; C348-C401 CovalentContact SG-SG 2.04Å; C348-C401 PolarHBondContact SG-SG 3.4Å; L352-C401 HydrophobicContact CD1-CB 4.39Å; L352-C401 HydrophobicContact CD2-CB 4.34Å; L352-C401 HydrophobicContact CG-CB 4.22Å; R397-C401 PolarHBondContact O-N 2.88Å; R397-C401 PolarHBondContact O-SG 2.87Å; F398-C401 WeakPolarHBondContact O-CB 3.01Å; F398-C401 PolarHBondContact O-N 3.03Å; F398-C401 VanDerWaalsContact O-N 3.1Å; K399-C401 VanDerWaalsContact C-N 3.33Å; K399-C401 PolarHBondContact O-N 3.27Å; C401-R404 PolarHBondContact O-N 3.04Å; C401-S405 WeakPolarHBondContact O-CB 3.08Å; C401-S405 PolarHBondContact O-N 3.24Å
402	Q	86	Confident	81.9	Confident	80 Å²	80	76.5 Å²	76.5	37%	0.374	38%	0.377	S	S	.	.	H	α-helix	trans	-60.6	-47.7	175.6	-74.9	-174.3	-41.4	0	0	111.9	L352 F398 K399 R404 S405 F406	L352-Q402 HydrophobicContact CD2-CB 4.31Å; L352-Q402 HydrophobicContact CD2-CG 3.61Å; F398-Q402 HydrophobicContact CD1-CG 4.48Å; F398-Q402 HydrophobicContact CE1-CG 4.09Å; F398-Q402 VanDerWaalsContact CE1-NE2 3.31Å; F398-Q402 HydrophobicContact CE2-CG 4.41Å; F398-Q402 HydrophobicContact CZ-CG 4.05Å; F398-Q402 PolarHBondContact O-N 3.2Å; K399-Q402 PolarHBondContact O-N 2.8Å; Q402-R404 VanDerWaalsContact C-N 3.34Å; Q402-R404 PolarHBondContact O-N 3.19Å; Q402-S405 PolarHBondContact O-N 2.81Å; Q402-F406 WeakPolarHBondContact O-CB 2.92Å; Q402-F406 PolarHBondContact O-N 3.5Å
403	L	83.2	Confident	81.4	Confident	111 Å²	111	76.5 Å²	76.5	58%	0.581	38%	0.377	S	S	*	.	H	α-helix	trans	-60.9	-43.5	178.1	-173.9	67.7	0	0	0	111.6	K399 F406 L407	K399-L403 PolarHBondContact O-N 2.7Å; L403-F406 PolarHBondContact O-N 3.43Å; L403-L407 HydrophobicContact CG-CD1 4.23Å; L403-L407 WeakPolarHBondContact O-CB 3.5Å; L403-L407 PolarHBondContact O-N 3.21Å
404	R	75.5	Confident	80.7	Confident	79 Å²	79	76.6 Å²	76.6	30%	0.298	38%	0.382	S	S	.	.	H	α-helix	trans	-64.2	-41.5	176	-77.1	-177.2	-176.5	-171.4	4.7	112.6	S152 S154 K400 C401 Q402 L407 Q408	S152-R404 PolarHBondContact OG-NH2 3.14Å; S154-R404 PolarHBondContact OG-NH2 3Å; K400-R404 WeakPolarHBondContact O-CB 3.45Å; K400-R404 WeakPolarHBondContact O-CG 3.32Å; K400-R404 PolarHBondContact O-N 2.97Å; C401-R404 PolarHBondContact O-N 3.04Å; Q402-R404 VanDerWaalsContact C-N 3.34Å; Q402-R404 PolarHBondContact O-N 3.19Å; R404-L407 PolarHBondContact O-N 3.32Å; R404-Q408 WeakPolarHBondContact O-CB 3.33Å; R404-Q408 PolarHBondContact O-N 3.17Å
405	S	79.9	Confident	79.8	Confident	53 Å²	53	81.4 Å²	81.4	37%	0.371	40%	0.404	S	S	.	.	H	α-helix	trans	-61.6	-47.7	176.6	-175.5	0	0	0	0	110.6	C401 Q402 L407 Q408 T409	C401-S405 WeakPolarHBondContact O-CB 3.08Å; C401-S405 PolarHBondContact O-N 3.24Å; Q402-S405 PolarHBondContact O-N 2.81Å; S405-L407 PolarHBondContact O-N 2.87Å; S405-Q408 PolarHBondContact O-N 2.79Å; S405-Q408 VanDerWaalsContact O-N 3.17Å; S405-T409 PolarHBondContact O-N 3.04Å; S405-T409 PolarHBondContact O-OG1 2.93Å; S405-T409 VanDerWaalsContact O-OG1 3.05Å
406	F	82	Confident	79.1	Confident	139 Å²	139	85.4 Å²	85.4	61%	0.61	42%	0.415	S	S	*	.	H	α-helix	trans	-59.4	-48.3	176.2	-179.3	-95.6	0	0	0	112.6	Q402 L403 Q408 T409 L410	Q402-F406 WeakPolarHBondContact O-CB 2.92Å; Q402-F406 PolarHBondContact O-N 3.5Å; L403-F406 PolarHBondContact O-N 3.43Å; F406-Q408 VanDerWaalsContact C-N 3.27Å; F406-Q408 PolarHBondContact O-N 3.23Å; F406-T409 PolarHBondContact O-N 3.43Å; F406-L410 PolarHBondContact O-N 3.33Å
407	L	75.7	Confident	78.2	Confident	90 Å²	90	84 Å²	84	47%	0.471	41%	0.411	S	S	.	.	H	α-helix	trans	-58.3	-40	175.3	-104	144.9	0	0	0	111.8	L403 R404 S405 L410 L411	L403-L407 HydrophobicContact CG-CD1 4.23Å; L403-L407 WeakPolarHBondContact O-CB 3.5Å; L403-L407 PolarHBondContact O-N 3.21Å; R404-L407 PolarHBondContact O-N 3.32Å; S405-L407 PolarHBondContact O-N 2.87Å; L407-L410 PolarHBondContact O-N 2.96Å; L407-L411 WeakPolarHBondContact O-CB 3.33Å; L407-L411 PolarHBondContact O-N 3.44Å
408	Q	70.6	Confident	77.2	Confident	81 Å²	81	87.2 Å²	87.2	38%	0.379	43%	0.428	S	S	.	.	H	α-helix	trans	-67.9	-43.4	178.2	-167.6	65.4	12	0	0	112.1	R404 S405 F406 L410 L411 D412	R404-Q408 WeakPolarHBondContact O-CB 3.33Å; R404-Q408 PolarHBondContact O-N 3.17Å; S405-Q408 PolarHBondContact O-N 2.79Å; S405-Q408 VanDerWaalsContact O-N 3.17Å; F406-Q408 VanDerWaalsContact C-N 3.27Å; F406-Q408 PolarHBondContact O-N 3.23Å; Q408-L410 VanDerWaalsContact C-N 3.26Å; Q408-L410 PolarHBondContact O-N 2.02Å; Q408-L411 PolarHBondContact O-N 3.12Å; Q408-D412 WeakPolarHBondContact O-CB 3.44Å; Q408-D412 PolarHBondContact O-N 3.05Å
409	T	76.9	Confident	76.1	Confident	77 Å²	77	90 Å²	90	47%	0.472	44%	0.443	S	S	.	.	H	α-helix	trans	-60.2	-40.4	174.8	-56	0	0	0	0	110.7	S405 F406 L413	S405-T409 PolarHBondContact O-N 3.04Å; S405-T409 PolarHBondContact O-OG1 2.93Å; S405-T409 VanDerWaalsContact O-OG1 3.05Å; F406-T409 PolarHBondContact O-N 3.43Å; T409-L413 HydrophobicContact CG2-CD1 4.13Å; T409-L413 WeakPolarHBondContact O-CB 3.5Å; T409-L413 WeakPolarHBondContact O-CD1 3.45Å; T409-L413 WeakPolarHBondContact O-CG 2.92Å; T409-L413 PolarHBondContact O-N 2.94Å
410	L	76.8	Confident	75.1	Confident	80 Å²	80	90.4 Å²	90.4	42%	0.419	44%	0.442	S	S	.	.	H	α-helix	trans	-63.8	-44.6	175	-176.5	66.6	0	0	0	111.7	F406 L407 Q408 L413 L414	F406-L410 PolarHBondContact O-N 3.33Å; L407-L410 PolarHBondContact O-N 2.96Å; Q408-L410 VanDerWaalsContact C-N 3.26Å; Q408-L410 PolarHBondContact O-N 2.02Å; L410-L413 PolarHBondContact O-N 3.43Å; L410-L414 HydrophobicContact CG-CD1 4.18Å; L410-L414 WeakPolarHBondContact O-CB 3.44Å; L410-L414 VanDerWaalsContact O-CG 3.26Å; L410-L414 WeakPolarHBondContact O-CG 3.44Å; L410-L414 PolarHBondContact O-N 3.24Å
411	L	72	Confident	74.3	Confident	78 Å²	78	87.9 Å²	87.9	41%	0.408	43%	0.434	S	S	.	.	H	α-helix	trans	-63.8	-44.2	178.5	-122	142.7	0	0	0	112	L407 Q408 L414 Q415	L407-L411 WeakPolarHBondContact O-CB 3.33Å; L407-L411 PolarHBondContact O-N 3.44Å; Q408-L411 PolarHBondContact O-N 3.12Å; L411-L414 PolarHBondContact O-N 2.02Å; L411-Q415 WeakPolarHBondContact O-CB 2.95Å; L411-Q415 WeakPolarHBondContact O-CG 3.5Å; L411-Q415 PolarHBondContact O-N 3.32Å
412	D	68.4	Low	73.3	Confident	59 Å²	59	95.8 Å²	95.8	32%	0.316	46%	0.464	S	S	.	.	H	α-helix	trans	-64.5	-39.6	175.5	-175.3	34.2	0	0	0	111.1	Q408 L414 Q415 R416	Q408-D412 WeakPolarHBondContact O-CB 3.44Å; Q408-D412 PolarHBondContact O-N 3.05Å; D412-L414 PolarHBondContact O-N 3.45Å; D412-Q415 PolarHBondContact O-N 2.86Å; D412-R416 WeakPolarHBondContact O-CB 3.24Å; D412-R416 WeakPolarHBondContact O-CG 3.3Å; D412-R416 PolarHBondContact O-N 2.82Å; D412-R416 IonicContact OD1-CZ 3.26Å; D412-R416 IonicContact OD1-NE 3.16Å; D412-R416 PolarHBondContact OD1-NE 3.32Å; D412-R416 IonicContact OD1-NH2 2.72Å; D412-R416 IonicContact OD2-CZ 2.7Å; D412-R416 VanDerWaalsContact OD2-CZ 3.26Å; D412-R416 IonicContact OD2-NE 3.66Å; D412-R416 PolarHBondContact OD2-NE 2.79Å; D412-R416 VanDerWaalsContact OD2-NE 3.16Å; D412-R416 IonicContact OD2-NH2 3.82Å; D412-R416 PolarHBondContact OD2-NH2 2.97Å
413	L	76.3	Confident	72	Confident	106 Å²	106	98.7 Å²	98.7	56%	0.555	48%	0.482	S	S	*	.	H	α-helix	trans	-63.1	-40.7	172.8	-76.6	168.8	0	0	0	112.2	T409 L410 A417	T409-L413 HydrophobicContact CG2-CD1 4.13Å; T409-L413 WeakPolarHBondContact O-CB 3.5Å; T409-L413 WeakPolarHBondContact O-CD1 3.45Å; T409-L413 WeakPolarHBondContact O-CG 2.92Å; T409-L413 PolarHBondContact O-N 2.94Å; L410-L413 PolarHBondContact O-N 3.43Å; L413-A417 VanDerWaalsContact O-CB 3.24Å; L413-A417 WeakPolarHBondContact O-CB 3.36Å; L413-A417 PolarHBondContact O-N 2.86Å
414	L	74.1	Confident	70.7	Confident	108 Å²	108	100.1 Å²	100.1	57%	0.565	48%	0.483	S	S	*	.	H	α-helix	trans	-67.9	-43	177.1	-72.5	171.4	0	0	0	111.6	L410 L411 D412 A417 E418	L410-L414 HydrophobicContact CG-CD1 4.18Å; L410-L414 WeakPolarHBondContact O-CB 3.44Å; L410-L414 VanDerWaalsContact O-CG 3.26Å; L410-L414 WeakPolarHBondContact O-CG 3.44Å; L410-L414 PolarHBondContact O-N 3.24Å; L411-L414 PolarHBondContact O-N 2.02Å; D412-L414 PolarHBondContact O-N 3.45Å; L414-A417 WeakPolarHBondContact O-CB 3.45Å; L414-A417 PolarHBondContact O-N 3.35Å; L414-E418 WeakPolarHBondContact O-CB 3.26Å; L414-E418 PolarHBondContact O-N 3.32Å
415	Q	70.4	Confident	69.4	Low	100 Å²	100	101.1 Å²	101.1	47%	0.467	49%	0.493	S	S	.	.	H	α-helix	trans	-63.6	-43.3	175.2	-76.9	179.6	-31.1	0	0	111.5	L411 D412 A417 E418 D419	L411-Q415 WeakPolarHBondContact O-CB 2.95Å; L411-Q415 WeakPolarHBondContact O-CG 3.5Å; L411-Q415 PolarHBondContact O-N 3.32Å; D412-Q415 PolarHBondContact O-N 2.86Å; Q415-A417 VanDerWaalsContact C-N 3.31Å; Q415-A417 PolarHBondContact O-N 2.87Å; Q415-E418 WeakPolarHBondContact O-CB 3.11Å; Q415-E418 PolarHBondContact O-N 3.46Å; Q415-D419 WeakPolarHBondContact O-CB 3.36Å; Q415-D419 VanDerWaalsContact O-CG 3.27Å; Q415-D419 PolarHBondContact O-N 3.27Å
416	R	73.9	Confident	67.8	Low	154 Å²	154	103.8 Å²	103.8	58%	0.581	50%	0.503	S	S	*	.	H	α-helix	trans	-65.4	-35.2	173.8	-70.9	175.4	-165.1	-152.6	9.6	112.5	D412 Y420	D412-R416 WeakPolarHBondContact O-CB 3.24Å; D412-R416 WeakPolarHBondContact O-CG 3.3Å; D412-R416 PolarHBondContact O-N 2.82Å; D412-R416 IonicContact OD1-CZ 3.26Å; D412-R416 IonicContact OD1-NE 3.16Å; D412-R416 PolarHBondContact OD1-NE 3.32Å; D412-R416 IonicContact OD1-NH2 2.72Å; D412-R416 IonicContact OD2-CZ 2.7Å; D412-R416 VanDerWaalsContact OD2-CZ 3.26Å; D412-R416 IonicContact OD2-NE 3.66Å; D412-R416 PolarHBondContact OD2-NE 2.79Å; D412-R416 VanDerWaalsContact OD2-NE 3.16Å; D412-R416 IonicContact OD2-NH2 3.82Å; D412-R416 PolarHBondContact OD2-NH2 2.97Å; R416-Y420 WeakPolarHBondContact O-CB 3.39Å; R416-Y420 PolarHBondContact O-N 3.22Å
417	A	71.2	Confident	66.1	Low	44 Å²	44	101.7 Å²	101.7	36%	0.364	50%	0.497	S	S	.	.	H	α-helix	trans	-67.1	-41.2	174	0	0	0	0	0	110.8	L413 L414 Q415 Y420 I421	L413-A417 VanDerWaalsContact O-CB 3.24Å; L413-A417 WeakPolarHBondContact O-CB 3.36Å; L413-A417 PolarHBondContact O-N 2.86Å; L414-A417 WeakPolarHBondContact O-CB 3.45Å; L414-A417 PolarHBondContact O-N 3.35Å; Q415-A417 VanDerWaalsContact C-N 3.31Å; Q415-A417 PolarHBondContact O-N 2.87Å; A417-Y420 PolarHBondContact O-N 3.12Å; A417-I421 WeakPolarHBondContact O-CB 3.36Å; A417-I421 WeakPolarHBondContact O-CD1 3.42Å; A417-I421 WeakPolarHBondContact O-CG1 3.31Å; A417-I421 PolarHBondContact O-N 2.81Å
418	E	64.7	Low	64.9	Low	116 Å²	116	100 Å²	100	54%	0.542	49%	0.491	S	S	.	.	H	α-helix	trans	-62.3	-47.9	173.8	-175	-178.5	176	0	0	111.5	L414 Q415 Y420 I421 R422	L414-E418 WeakPolarHBondContact O-CB 3.26Å; L414-E418 PolarHBondContact O-N 3.32Å; Q415-E418 WeakPolarHBondContact O-CB 3.11Å; Q415-E418 PolarHBondContact O-N 3.46Å; E418-Y420 PolarHBondContact O-N 2.96Å; E418-I421 PolarHBondContact O-N 3.48Å; E418-R422 WeakPolarHBondContact O-CB 3.17Å; E418-R422 PolarHBondContact O-N 2.95Å
419	D	65.3	Low	63.5	Low	74 Å²	74	102 Å²	102	40%	0.396	50%	0.499	S	S	.	.	H	α-helix	trans	-62.6	-42.2	176.5	-71.3	-17.9	0	0	0	111.4	Q415 R422 D423	Q415-D419 WeakPolarHBondContact O-CB 3.36Å; Q415-D419 VanDerWaalsContact O-CG 3.27Å; Q415-D419 PolarHBondContact O-N 3.27Å; D419-R422 PolarHBondContact O-N 3.15Å; D419-R422 IonicContact OD1-CZ 2.66Å; D419-R422 IonicContact OD1-NH1 2.62Å; D419-R422 IonicContact OD1-NH2 3.38Å; D419-R422 PolarHBondContact OD1-NH2 2.93Å; D419-D423 WeakPolarHBondContact O-CB 3.22Å; D419-D423 PolarHBondContact O-N 3.18Å
420	Y	67.1	Low	61.8	Low	137 Å²	137	103.8 Å²	103.8	54%	0.537	50%	0.5	S	S	.	.	H	α-helix	trans	-64.6	-41	174.5	179.6	-92	0	0	0	111.9	R416 A417 E418 K424	R416-Y420 WeakPolarHBondContact O-CB 3.39Å; R416-Y420 PolarHBondContact O-N 3.22Å; A417-Y420 PolarHBondContact O-N 3.12Å; E418-Y420 PolarHBondContact O-N 2.96Å; Y420-K424 HydrophobicContact CD2-CD 4.32Å; Y420-K424 HydrophobicContact CD2-CG 4.03Å; Y420-K424 HydrophobicContact CE1-CB 4.28Å; Y420-K424 HydrophobicContact CE2-CB 4.24Å; Y420-K424 HydrophobicContact CE2-CD 3.56Å; Y420-K424 HydrophobicContact CE2-CG 3.75Å; Y420-K424 WeakPolarHBondContact O-CA 3.27Å; Y420-K424 VanDerWaalsContact O-CB 3.25Å; Y420-K424 WeakPolarHBondContact O-CB 3.41Å; Y420-K424 PolarHBondContact O-N 2.81Å
421	I	66.8	Low	60.3	Low	77 Å²	77	104.7 Å²	104.7	40%	0.395	51%	0.509	S	S	.	.	H	α-helix	trans	-64.6	-44.1	174.8	-71.3	162.6	0	0	0	109.4	A417 E418 D423 M425	A417-I421 WeakPolarHBondContact O-CB 3.36Å; A417-I421 WeakPolarHBondContact O-CD1 3.42Å; A417-I421 WeakPolarHBondContact O-CG1 3.31Å; A417-I421 PolarHBondContact O-N 2.81Å; E418-I421 PolarHBondContact O-N 3.48Å; I421-D423 PolarHBondContact O-N 3.28Å; I421-M425 HydrophobicContact CG2-CB 4.21Å; I421-M425 HydrophobicContact CG2-CG 4.3Å; I421-M425 VanDerWaalsContact O-CA 3.27Å; I421-M425 WeakPolarHBondContact O-CA 3.4Å; I421-M425 WeakPolarHBondContact O-CB 3.3Å; I421-M425 PolarHBondContact O-N 3.12Å
422	R	61.8	Low	59.3	Low	168 Å²	168	107.1 Å²	107.1	63%	0.634	52%	0.518	S	S	*	.	H	α-helix	trans	-66.2	-35.3	179.4	-172.6	173.1	63.6	-148.7	-4.4	113.2	E418 D419	E418-R422 WeakPolarHBondContact O-CB 3.17Å; E418-R422 PolarHBondContact O-N 2.95Å; D419-R422 PolarHBondContact O-N 3.15Å; D419-R422 IonicContact OD1-CZ 2.66Å; D419-R422 IonicContact OD1-NH1 2.62Å; D419-R422 IonicContact OD1-NH2 3.38Å; D419-R422 PolarHBondContact OD1-NH2 2.93Å
423	D	60	Low	58	Low	141 Å²	141	106.7 Å²	106.7	75%	0.754	52%	0.518	S	S	*	.	H	α-helix	trans	-90	-32	-176.5	-168.8	56.8	0	0	0	113.4	D419 I421	D419-D423 WeakPolarHBondContact O-CB 3.22Å; D419-D423 PolarHBondContact O-N 3.18Å; I421-D423 PolarHBondContact O-N 3.28Å
424	K	55.8	Low	56.2	Low	142 Å²	142	106.7 Å²	106.7	62%	0.617	52%	0.518	S	S	*	.	H	α-helix	trans	-109.5	-22.9	-177.8	-67.8	-132	-176.6	-179.5	0	115.4	Y420	Y420-K424 HydrophobicContact CD2-CD 4.32Å; Y420-K424 HydrophobicContact CD2-CG 4.03Å; Y420-K424 HydrophobicContact CE1-CB 4.28Å; Y420-K424 HydrophobicContact CE2-CB 4.24Å; Y420-K424 HydrophobicContact CE2-CD 3.56Å; Y420-K424 HydrophobicContact CE2-CG 3.75Å; Y420-K424 WeakPolarHBondContact O-CA 3.27Å; Y420-K424 VanDerWaalsContact O-CB 3.25Å; Y420-K424 WeakPolarHBondContact O-CB 3.41Å; Y420-K424 PolarHBondContact O-N 2.81Å
425	M	47.3	Very low	54.6	Low	100 Å²	100	104.7 Å²	104.7	49%	0.493	51%	0.512	S	S	.	.			trans	-92.6	101.3	168.6	-61.7	-145.4	-179.2	0	0	108.7	I421 L427	I421-M425 HydrophobicContact CG2-CB 4.21Å; I421-M425 HydrophobicContact CG2-CG 4.3Å; I421-M425 VanDerWaalsContact O-CA 3.27Å; I421-M425 WeakPolarHBondContact O-CA 3.4Å; I421-M425 WeakPolarHBondContact O-CB 3.3Å; I421-M425 PolarHBondContact O-N 3.12Å; M425-L427 PolarHBondContact O-N 3.08Å
426	D	46.7	Very low	53.2	Low	109 Å²	109	106.2 Å²	106.2	58%	0.583	52%	0.518	S	S	*	.			trans	-63.8	89.7	160.9	-162.9	-6.2	0	0	0	108	T428 F429	D426-T428 PolarHBondContact O-N 2.83Å; D426-T428 VanDerWaalsContact OD1-CB 3.23Å; D426-T428 WeakPolarHBondContact OD1-CB 3.4Å; D426-T428 WeakPolarHBondContact OD1-CG2 3.18Å; D426-T428 PolarHBondContact OD1-N 3.3Å; D426-T428 PolarHBondContact OD1-OG1 3.45Å; D426-T428 PolarHBondContact OD2-OG1 2.88Å; D426-T428 VanDerWaalsContact OD2-OG1 3.07Å; D426-F429 VanDerWaalsContact O-CB 3.29Å; D426-F429 WeakPolarHBondContact O-CB 3.42Å; D426-F429 PolarHBondContact O-N 2.86Å
427	L	46.5	Very low	51.6	Low	94 Å²	94	105.6 Å²	105.6	49%	0.492	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-1.3	175.4	-71.7	170.7	0	0	0	111.7	M425 F429 F430 T431	M425-L427 PolarHBondContact O-N 3.08Å; L427-F429 PolarHBondContact O-N 3.11Å; L427-F430 HydrophobicContact CD2-CD2 3.63Å; L427-F430 HydrophobicContact CD2-CE2 4.16Å; L427-F430 PolarHBondContact O-N 3.19Å; L427-F430 VanDerWaalsContact O-N 3.1Å; L427-T431 PolarHBondContact O-N 2.75Å; L427-T431 PolarHBondContact O-OG1 2.85Å
428	T	49.7	Very low	50	Low	56 Å²	56	108 Å²	108	34%	0.344	54%	0.536	S	S	.	.	H	α-helix	trans	-59.6	-24.8	160.4	68.2	0	0	0	0	111.6	D426 F430 T431 Q432	D426-T428 PolarHBondContact O-N 2.83Å; D426-T428 VanDerWaalsContact OD1-CB 3.23Å; D426-T428 WeakPolarHBondContact OD1-CB 3.4Å; D426-T428 WeakPolarHBondContact OD1-CG2 3.18Å; D426-T428 PolarHBondContact OD1-N 3.3Å; D426-T428 PolarHBondContact OD1-OG1 3.45Å; D426-T428 PolarHBondContact OD2-OG1 2.88Å; D426-T428 VanDerWaalsContact OD2-OG1 3.07Å; T428-F430 PolarHBondContact O-N 3.29Å; T428-T431 WeakPolarHBondContact CA-OG1 3.27Å; T428-T431 CarbonylContact O-C 3.54Å; T428-T431 PolarHBondContact O-N 2.82Å; T428-T431 PolarHBondContact O-OG1 2.58Å; T428-Q432 WeakPolarHBondContact O-CA 3.03Å; T428-Q432 WeakPolarHBondContact O-CB 3.34Å; T428-Q432 WeakPolarHBondContact O-CG 3.47Å; T428-Q432 PolarHBondContact O-N 2.76Å
429	F	42.6	Very low	48.7	Very low	123 Å²	123	109.2 Å²	109.2	54%	0.539	54%	0.542	S	S	.	.	H	α-helix	trans	-58.2	-45.6	169.8	-174.8	-101.2	0	0	0	111.5	D426 L427 T431 T433	D426-F429 VanDerWaalsContact O-CB 3.29Å; D426-F429 WeakPolarHBondContact O-CB 3.42Å; D426-F429 PolarHBondContact O-N 2.86Å; L427-F429 PolarHBondContact O-N 3.11Å; F429-T431 PolarHBondContact O-N 2.84Å; F429-T433 HydrophobicContact CD2-CG2 3.77Å; F429-T433 HydrophobicContact CE2-CG2 3.86Å; F429-T433 WeakPolarHBondContact CE2-OG1 3.37Å; F429-T433 WeakPolarHBondContact O-CA 3.44Å; F429-T433 WeakPolarHBondContact O-CB 3.46Å; F429-T433 PolarHBondContact O-N 2.99Å; F429-T433 PolarHBondContact O-OG1 2.92Å
430	F	39.8	Very low	47.4	Very low	113 Å²	113	113.2 Å²	113.2	50%	0.496	56%	0.558	S	S	.	*	H	α-helix	trans	-75	-23	178.8	-74.3	-83.2	0	0	0	113.8	L427 T428 L434	L427-F430 HydrophobicContact CD2-CD2 3.63Å; L427-F430 HydrophobicContact CD2-CE2 4.16Å; L427-F430 PolarHBondContact O-N 3.19Å; L427-F430 VanDerWaalsContact O-N 3.1Å; T428-F430 PolarHBondContact O-N 3.29Å; F430-L434 HydrophobicContact CD1-CD1 3.97Å; F430-L434 HydrophobicContact CE1-CD1 4.49Å; F430-L434 WeakPolarHBondContact O-CB 3.2Å
431	T	47	Very low	46	Very low	100 Å²	100	113.4 Å²	113.4	61%	0.613	57%	0.567	S	S	*	*	H	α-helix	trans	-95.9	-15.7	177.5	54.1	0	0	0	0	113.9	L427 T428 F429 P435	L427-T431 PolarHBondContact O-N 2.75Å; L427-T431 PolarHBondContact O-OG1 2.85Å; T428-T431 WeakPolarHBondContact CA-OG1 3.27Å; T428-T431 CarbonylContact O-C 3.54Å; T428-T431 PolarHBondContact O-N 2.82Å; T428-T431 PolarHBondContact O-OG1 2.58Å; F429-T431 PolarHBondContact O-N 2.84Å; T431-P435 WeakPolarHBondContact O-CG 3.48Å
432	Q	49.2	Very low	44.2	Very low	128 Å²	128	118.9 Å²	118.9	60%	0.598	58%	0.584	S	S	*	*	H	α-helix	trans	-112.7	-20.4	179.3	-61.5	-177.9	-5.3	0	0	114	T428	T428-Q432 WeakPolarHBondContact O-CA 3.03Å; T428-Q432 WeakPolarHBondContact O-CB 3.34Å; T428-Q432 WeakPolarHBondContact O-CG 3.47Å; T428-Q432 PolarHBondContact O-N 2.76Å
433	T	41.7	Very low	42.9	Very low	51 Å²	51	114.7 Å²	114.7	31%	0.313	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.8	-17.5	179.1	69.7	0	0	0	0	115.4	F429 Q436	F429-T433 HydrophobicContact CD2-CG2 3.77Å; F429-T433 HydrophobicContact CE2-CG2 3.86Å; F429-T433 WeakPolarHBondContact CE2-OG1 3.37Å; F429-T433 WeakPolarHBondContact O-CA 3.44Å; F429-T433 WeakPolarHBondContact O-CB 3.46Å; F429-T433 PolarHBondContact O-N 2.99Å; F429-T433 PolarHBondContact O-OG1 2.92Å; T433-Q436 PolarHBondContact O-N 3.32Å
434	L	38.3	Very low	41.8	Very low	105 Å²	105	112.7 Å²	112.7	55%	0.55	58%	0.583	S	S	.	*	S	Bend	trans	-77.3	-21.6	169.4	-110.5	86.5	0	0	0	115.6	F430 Q436	F430-L434 HydrophobicContact CD1-CD1 3.97Å; F430-L434 HydrophobicContact CE1-CD1 4.49Å; F430-L434 WeakPolarHBondContact O-CB 3.2Å; L434-Q436 VanDerWaalsContact C-N 3.28Å; L434-Q436 PolarHBondContact O-N 3.19Å
435	P	40.8	Very low	40.7	Very low	67 Å²	67	109.8 Å²	109.8	44%	0.435	59%	0.585	S	S	.	*	H	α-helix	trans	-70.5	-22.8	168.4	-18.8	32.3	0	0	0	113.3	T431 L437 V438 E439	T431-P435 WeakPolarHBondContact O-CG 3.48Å; P435-L437 PolarHBondContact O-N 2.89Å; P435-V438 PolarHBondContact O-N 2.83Å; P435-E439 PolarHBondContact O-N 3.44Å; P435-E439 VanDerWaalsContact O-N 3.16Å
436	Q	42.2	Very low	40	Very low	131 Å²	131	113 Å²	113	61%	0.612	60%	0.604	S	S	*	*	H	α-helix	trans	-77.6	-19.3	-175.6	-67.6	-170.2	-11.6	0	0	114.2	T433 L434	T433-Q436 PolarHBondContact O-N 3.32Å; L434-Q436 VanDerWaalsContact C-N 3.28Å; L434-Q436 PolarHBondContact O-N 3.19Å
437	L	38.4	Very low	39	Very low	141 Å²	141	114 Å²	114	74%	0.738	61%	0.614	S	S	*	*	H	α-helix	trans	-83.4	-21.9	174.3	-155.2	77.3	0	0	0	112.4	P435	P435-L437 PolarHBondContact O-N 2.89Å
438	V	37.5	Very low	38.1	Very low	96 Å²	96	117.1 Å²	117.1	58%	0.582	63%	0.626	S	S	*	*	H	α-helix	trans	-92.3	-27.1	179.7	-176.5	0	0	0	0	111.7	P435 H440	P435-V438 PolarHBondContact O-N 2.83Å; V438-H440 VanDerWaalsContact C-N 3.35Å
439	E	38.7	Very low	37	Very low	140 Å²	140	120.9 Å²	120.9	65%	0.654	64%	0.644	S	S	*	*	H	α-helix	trans	-71.4	-24.3	171.5	-98.6	-168.2	151.7	0	0	114	P435 I441 Y442 S443	P435-E439 PolarHBondContact O-N 3.44Å; P435-E439 VanDerWaalsContact O-N 3.16Å; E439-I441 VanDerWaalsContact C-N 3.28Å; E439-I441 PolarHBondContact O-N 3.34Å; E439-Y442 PolarHBondContact O-N 3.14Å; E439-S443 WeakPolarHBondContact O-CB 3.28Å; E439-S443 PolarHBondContact O-N 3.5Å; E439-S443 PolarHBondContact O-OG 3.34Å
440	H	37.3	Very low	36.1	Very low	159 Å²	159	126 Å²	126	74%	0.736	66%	0.659	S	S	*	*	H	α-helix	trans	-75.6	-14.4	179.7	-115.3	-14.4	0	0	0	114.3	V438	V438-H440 VanDerWaalsContact C-N 3.35Å
441	I	38.5	Very low	35.4	Very low	141 Å²	141	128.4 Å²	128.4	72%	0.723	67%	0.672	S	S	*	*	H	α-helix	trans	-94	-28.7	175.5	-61.1	177.7	0	0	0	111.1	E439	E439-I441 VanDerWaalsContact C-N 3.28Å; E439-I441 PolarHBondContact O-N 3.34Å
442	Y	28.9	Very low	34.4	Very low	192 Å²	192	133.8 Å²	133.8	75%	0.753	68%	0.681	S	S	*	*	H	α-helix	trans	-91.1	-14.9	-178.3	-99.5	-89.9	0	0	0	114.9	E439	E439-Y442 PolarHBondContact O-N 3.14Å
443	S	34.8	Very low	33.3	Very low	80 Å²	80	139.4 Å²	139.4	56%	0.559	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	0.4	-175.5	51.9	0	0	0	0	115.7	E439 A445	E439-S443 WeakPolarHBondContact O-CB 3.28Å; E439-S443 PolarHBondContact O-N 3.5Å; E439-S443 PolarHBondContact O-OG 3.34Å; S443-A445 VanDerWaalsContact C-N 3.29Å; S443-A445 PolarHBondContact O-N 2.93Å
444	A	35.7	Very low	32.4	Very low	99 Å²	99	144 Å²	144	82%	0.818	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-2.3	172.3	0	0	0	0	0	114.1
445	A	34.1	Very low	31.8	Very low	80 Å²	80	147.6 Å²	147.6	66%	0.661	74%	0.738	S	S	*	*	S	Bend	trans	-105.9	-14.8	-168.1	0	0	0	0	0	116.4	S443	S443-A445 VanDerWaalsContact C-N 3.29Å; S443-A445 PolarHBondContact O-N 2.93Å
446	L	31.2	Very low	31	Very low	167 Å²	167	147.8 Å²	147.8	87%	0.874	75%	0.753	S	S	*	*			trans	-141.4	112.7	-173.1	-74.8	163.8	0	0	0	113.1
447	T	27.2	Very low	30.1	Very low	130 Å²	130	150 Å²	150	80%	0.798	77%	0.768	S	S	*	*			trans	-74.8	155.6	175.6	43.7	0	0	0	0	114.3
448	H	27.1	Very low	29.5	Very low	161 Å²	161	148.6 Å²	148.6	75%	0.745	77%	0.77	S	S	*	*			trans	101.3	114.1	147.1	-96	-62.9	0	0	0	121.7
449	N	25.9	Very low	28.9	Very low	135 Å²	135	155.7 Å²	155.7	72%	0.722	79%	0.786	S	S	*	*			trans	91.5	127.1	133.9	-76.4	-17.5	0	0	0	122.9
450	R	25.1	Very low	28.2	Very low	230 Å²	230	152.9 Å²	152.9	87%	0.868	80%	0.795	S	S	*	*			trans	98.4	92.7	145	-81.5	178.6	167	163.1	-2.9	121
451	E	25	Very low	27.6	Very low	163 Å²	163	153.8 Å²	153.8	76%	0.762	80%	0.804	S	S	*	*				39.7	124.3	118.9	-74.4	-167.5	140.2	0	0	124
452	R	24.2	Very low	26.9	Very low	213 Å²	213	151.9 Å²	151.9	80%	0.804	80%	0.804	S	S	*	*			trans	68.7	120	131.7	-94.3	176.9	167.7	167	-2.4	122
453	R	26	Very low	26.7	Very low	247 Å²	247	150.3 Å²	150.3	93%	0.932	80%	0.803	S	S	*	*				-176.1	148.9	98.1	-95.2	179.2	-164.1	-179	5.1	113.5
454	D	23.4	Very low	26.3	Very low	147 Å²	147	154.8 Å²	154.8	79%	0.786	82%	0.819	S	S	*	*			trans	-80.2	175.1	-172.8	-78.7	-51.4	0	0	0	117
455	L	25.7	Very low	25.8	Very low	180 Å²	180	158.8 Å²	158.8	94%	0.942	82%	0.818	S	S	*	*			trans	103.4	130	152.6	-58.2	161	0	0	0	114.3
456	G	24.8	Very low	25.3	Very low	72 Å²	72	158.6 Å²	158.6	74%	0.742	82%	0.824	S	S	*	*			cis	169.8	131.6	5.2	0	0	0	0	0	109.2
457	L	23.4	Very low	25.1	Very low	177 Å²	177	159.9 Å²	159.9	93%	0.927	82%	0.822	S	S	*	*			trans	-9.9	136.3	158.9	-133.1	73.2	0	0	0	119.1
458	S	24.9	Very low	24.9	Very low	112 Å²	112	157.3 Å²	157.3	78%	0.783	82%	0.821	S	S	*	*				177.9	124.1	110	-173.9	0	0	0	0	115.3
459	R	25.1	Very low	24.9	Very low	245 Å²	245	158.6 Å²	158.6	93%	0.925	83%	0.825	S	S	*	*			trans	-10.8	146.5	142.6	-93.6	167.5	147.2	174.6	-6.6	119.5
460	G	24.8	Very low	24.9	Very low	81 Å²	81	161.7 Å²	161.7	84%	0.835	83%	0.832	S	S	*	*			trans	-179.3	66.5	155.1	0	0	0	0	0	115.7
461	L	23.1	Very low	25	Very low	177 Å²	177	159.6 Å²	159.6	93%	0.927	83%	0.832	S	S	*	*			trans	-90.6	122.8	161.1	-94.9	156.8	0	0	0	108.4
462	S	24.8	Very low	25	Very low	102 Å²	102	161.6 Å²	161.6	71%	0.713	84%	0.838	S	S	*	*			trans	174.8	151.1	132.5	58.9	0	0	0	0	114.4
463	Q	24.5	Very low	25.1	Very low	158 Å²	158	162.7 Å²	162.7	74%	0.738	84%	0.842	S	S	*	*			trans	83.7	111.6	155.9	-57.7	-171.7	5.7	0	0	119.4
464	I	26.3	Very low	25	Very low	175 Å²	175	160 Å²	160	90%	0.897	84%	0.841	S	S	*	*				-137.7	123.9	119.2	-60.2	-171.4	0	0	0	109.8
465	K	25.8	Very low	25.2	Very low	182 Å²	182	160 Å²	160	79%	0.791	84%	0.839	S	S	*	*			trans	-75.1	153.7	174.3	-81.7	172.8	171.6	173	0	112
466	G	24	Very low	25.2	Very low	76 Å²	76	156.6 Å²	156.6	78%	0.784	83%	0.828	S	S	*	*			trans	-64.7	160.6	173.4	0	0	0	0	0	115.6
467	K	26.7	Very low	25.6	Very low	194 Å²	194	158.1 Å²	158.1	84%	0.843	83%	0.833	S	S	*	*			trans	-134.9	117.9	160.9	-83.3	-175.5	175.7	176.2	0	108.7
468	G	23.2	Very low	25.8	Very low	76 Å²	76	155.8 Å²	155.8	78%	0.784	83%	0.826	S	S	*	*			trans	-76.1	146.1	164.9	0	0	0	0	0	110.8
469	F	25.8	Very low	26.1	Very low	188 Å²	188	155.2 Å²	155.2	83%	0.825	82%	0.822	S	S	*	*			trans	-124.7	108.6	163.2	-96.4	-91.3	0	0	0	108.7
470	K	26.4	Very low	26.7	Very low	201 Å²	201	152.7 Å²	152.7	87%	0.874	82%	0.821	S	S	*	*			trans	-83.4	123.5	161.3	-76	179.5	177.3	176.2	0	107.6
471	H	27	Very low	27.4	Very low	185 Å²	185	157.5 Å²	157.5	86%	0.856	82%	0.819	S	S	*	*			trans	-142.4	101.7	146.7	-100.4	-38.9	0	0	0	110
472	K	26	Very low	28.7	Very low	206 Å²	206	156.7 Å²	156.7	90%	0.896	81%	0.814	S	S	*	*			trans	-74.7	120.9	157.7	-88.6	-179	172.5	-179.5	0	107.4
473	R	24.8	Very low	30	Very low	236 Å²	236	153.3 Å²	153.3	89%	0.891	79%	0.79	S	S	*	*			trans	-108.4	112.5	156.1	-109.5	179.6	174.5	177.3	-1.6	107.1
474	Q	25.1	Very low	31.3	Very low	191 Å²	191	150.9 Å²	150.9	89%	0.893	79%	0.788	S	S	*	*			trans	-72.4	129.6	164.9	-82	172.9	-30.1	0	0	108.2
475	I	27.4	Very low	32.8	Very low	145 Å²	145	144 Å²	144	74%	0.744	76%	0.76	S	S	*	*			trans	-123.5	138.8	166.3	-61.3	177.6	0	0	0	106.2
476	P	25.6	Very low	34.7	Very low	110 Å²	110	137.4 Å²	137.4	71%	0.714	73%	0.733	S	S	*	*			trans	-69.1	149.6	-167.1	-13.6	28.9	0	0	0	112.9	T478	P476-T478 PolarHBondContact O-N 3.3Å
477	A	32.9	Very low	37	Very low	104 Å²	104	142 Å²	142	86%	0.86	73%	0.727	S	S	*	*			trans	-63.8	118.3	172.9	0	0	0	0	0	111
478	T	26.9	Very low	39.2	Very low	127 Å²	127	138 Å²	138	78%	0.779	71%	0.711	S	S	*	*			trans	-141.3	118.5	163.9	51.7	0	0	0	0	110.2	P476	P476-T478 PolarHBondContact O-N 3.3Å
479	S	31.2	Very low	41.4	Very low	100 Å²	100	134.8 Å²	134.8	70%	0.699	68%	0.676	S	S	*	*			trans	55.4	97.5	164.1	-174.4	0	0	0	0	116.4	K481	S479-K481 PolarHBondContact O-N 2.91Å
480	E	37.7	Very low	43.9	Very low	193 Å²	193	127 Å²	127	90%	0.902	65%	0.646	S	S	*	*			trans	-55.1	96.4	162.8	-75.8	178.4	144	0	0	110.2
481	K	41	Very low	46.6	Very low	181 Å²	181	124.2 Å²	124.2	79%	0.787	63%	0.63	S	S	*	*			trans	-84.5	115.4	159	-72.4	-177	179.2	179.5	0	107.1	S479 C483	S479-K481 PolarHBondContact O-N 2.91Å; K481-C483 PolarHBondContact O-N 2.99Å; K481-C483 VanDerWaalsContact O-N 3.12Å
482	I	50	Low	49	Very low	161 Å²	161	119 Å²	119	83%	0.826	61%	0.606	S	S	*	*			trans	-65.9	109.8	-176.6	-61.8	167.2	0	0	0	108.7	P484	I482-P484 WeakPolarHBondContact O-CD 3.34Å
483	C	51.7	Low	51.7	Low	30 Å²	30	109.7 Å²	109.7	20%	0.203	57%	0.566	C	S	.	*			trans	-80.7	116.4	168	-80.4	0	0	0	0	110	C67 K481 G485 L486	C67-C483 HydrophobicContact CB-CB 4.32Å; C67-C483 WeakPolarHBondContact CB-SG 3.49Å; C67-C483 WeakPolarHBondContact SG-CB 3.33Å; C67-C483 CovalentContact SG-SG 2.02Å; C67-C483 PolarHBondContact SG-SG 2.97Å; K481-C483 PolarHBondContact O-N 2.99Å; K481-C483 VanDerWaalsContact O-N 3.12Å; C483-G485 PolarHBondContact O-N 3.38Å; C483-L486 HydrophobicContact CB-CB 3.76Å; C483-L486 HydrophobicContact CB-CD2 4.04Å; C483-L486 PolarHBondContact O-N 3.13Å
484	P	51.3	Low	54.5	Low	108 Å²	108	101.4 Å²	101.4	70%	0.701	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	134.6	174.4	-20	32.1	0	0	0	110.6	I482 L486	I482-P484 WeakPolarHBondContact O-CD 3.34Å; P484-L486 VanDerWaalsContact C-N 3.28Å; P484-L486 PolarHBondContact O-N 2.99Å
485	G	58.7	Low	57.5	Low	30 Å²	30	98.5 Å²	98.5	31%	0.309	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	85	-17.4	178.9	0	0	0	0	0	115.5	C483 R487 E488 S489	C483-G485 PolarHBondContact O-N 3.38Å; G485-R487 VanDerWaalsContact C-N 3.32Å; G485-R487 PolarHBondContact O-N 3.37Å; G485-E488 WeakPolarHBondContact CA-OE2 3.17Å; G485-E488 PolarHBondContact N-OE2 3.44Å; G485-E488 PolarHBondContact O-N 3.03Å; G485-S489 WeakPolarHBondContact O-CB 3.49Å; G485-S489 PolarHBondContact O-N 3.44Å; G485-S489 PolarHBondContact O-OG 3.36Å
486	L	66.4	Low	60.1	Low	43 Å²	43	93.3 Å²	93.3	23%	0.225	50%	0.504	C	S	.	.	H	α-helix	trans	-70.4	-31.5	178.9	-169.6	67.5	0	0	0	111.8	R60 T63 E64 C483 P484 S489 S490	R60-L486 HydrophobicContact CG-CD1 4.35Å; T63-L486 HydrophobicContact CG2-CB 4.13Å; T63-L486 HydrophobicContact CG2-CD1 4.05Å; E64-L486 HydrophobicContact CB-CD1 4.01Å; C483-L486 HydrophobicContact CB-CB 3.76Å; C483-L486 HydrophobicContact CB-CD2 4.04Å; C483-L486 PolarHBondContact O-N 3.13Å; P484-L486 VanDerWaalsContact C-N 3.28Å; P484-L486 PolarHBondContact O-N 2.99Å; L486-S489 WeakPolarHBondContact CA-OG 3.39Å; L486-S489 PolarHBondContact O-OG 2.86Å; L486-S490 WeakPolarHBondContact O-CB 3.27Å; L486-S490 PolarHBondContact O-N 3.39Å; L486-S490 PolarHBondContact O-OG 3Å
487	R	71.1	Confident	63	Low	174 Å²	174	92.2 Å²	92.2	66%	0.657	49%	0.489	S	S	*	.	H	α-helix	trans	-74	-38.9	177.3	-163.8	177.8	-171.6	-170.2	3.2	111.1	G485 R491	G485-R487 VanDerWaalsContact C-N 3.32Å; G485-R487 PolarHBondContact O-N 3.37Å; R487-R491 WeakPolarHBondContact O-CB 3.37Å; R487-R491 WeakPolarHBondContact O-CG 3.38Å; R487-R491 PolarHBondContact O-N 3.37Å
488	E	73.8	Confident	65.6	Low	109 Å²	109	93 Å²	93	51%	0.509	48%	0.475	S	S	.	.	H	α-helix	trans	-66.5	-51.7	176.4	-68.3	69.5	-153.4	0	0	111.1	G485 S490 R491 Q492	G485-E488 WeakPolarHBondContact CA-OE2 3.17Å; G485-E488 PolarHBondContact N-OE2 3.44Å; G485-E488 PolarHBondContact O-N 3.03Å; E488-S490 VanDerWaalsContact C-N 3.3Å; E488-S490 PolarHBondContact O-N 2.93Å; E488-R491 WeakPolarHBondContact O-CB 3.28Å; E488-R491 PolarHBondContact O-N 3.31Å; E488-R491 VanDerWaalsContact O-N 3.08Å; E488-Q492 PolarHBondContact O-N 3.32Å
489	S	69.6	Low	68.5	Low	8 Å²	8	91 Å²	91	6%	0.056	46%	0.463	C	S	.	.	H	α-helix	trans	-61.8	-37.2	175.6	54.3	0	0	0	0	112.1	G485 L486 Q492 V493	G485-S489 WeakPolarHBondContact O-CB 3.49Å; G485-S489 PolarHBondContact O-N 3.44Å; G485-S489 PolarHBondContact O-OG 3.36Å; L486-S489 WeakPolarHBondContact CA-OG 3.39Å; L486-S489 PolarHBondContact O-OG 2.86Å; S489-Q492 PolarHBondContact O-N 3.12Å; S489-V493 WeakPolarHBondContact O-CG2 3.48Å; S489-V493 PolarHBondContact O-N 3.32Å
490	S	77.9	Confident	71.3	Confident	26 Å²	26	89.3 Å²	89.3	18%	0.182	44%	0.442	C	S	.	.	H	α-helix	trans	-63.8	-40.7	172.2	-65.4	0	0	0	0	112.5	R60 L486 E488 V493 S494	R60-S490 PolarHBondContact NH1-OG 3.24Å; L486-S490 WeakPolarHBondContact O-CB 3.27Å; L486-S490 PolarHBondContact O-N 3.39Å; L486-S490 PolarHBondContact O-OG 3Å; E488-S490 VanDerWaalsContact C-N 3.3Å; E488-S490 PolarHBondContact O-N 2.93Å; S490-V493 PolarHBondContact O-N 2.87Å; S490-S494 PolarHBondContact O-N 3.36Å; S490-S494 VanDerWaalsContact O-N 3.08Å; S490-S494 PolarHBondContact O-OG 3.44Å
491	R	82.3	Confident	73.7	Confident	141 Å²	141	84.7 Å²	84.7	53%	0.532	42%	0.419	S	S	.	.	H	α-helix	trans	-64.7	-39.1	174.1	-80	175.2	173.6	-179.9	-2.6	111.8	R487 E488 S494 Q495	R487-R491 WeakPolarHBondContact O-CB 3.37Å; R487-R491 WeakPolarHBondContact O-CG 3.38Å; R487-R491 PolarHBondContact O-N 3.37Å; E488-R491 WeakPolarHBondContact O-CB 3.28Å; E488-R491 PolarHBondContact O-N 3.31Å; E488-R491 VanDerWaalsContact O-N 3.08Å; R491-S494 PolarHBondContact O-N 2.59Å; R491-Q495 WeakPolarHBondContact O-CB 3.28Å; R491-Q495 WeakPolarHBondContact O-CG 3.36Å; R491-Q495 PolarHBondContact O-N 2.9Å
492	Q	78.6	Confident	75.8	Confident	77 Å²	77	79.4 Å²	79.4	36%	0.36	39%	0.394	S	S	.	.	H	α-helix	trans	-63.5	-43.5	177.5	-172.7	-178.5	-22.3	0	0	111.6	E59 E488 S489 S494 Q495 I496	E59-Q492 PolarHBondContact OE2-NE2 3.47Å; E488-Q492 PolarHBondContact O-N 3.32Å; S489-Q492 PolarHBondContact O-N 3.12Å; Q492-S494 PolarHBondContact O-N 2.89Å; Q492-Q495 PolarHBondContact O-N 2.83Å; Q492-I496 HydrophobicContact CG-CD1 4.19Å; Q492-I496 WeakPolarHBondContact O-CG1 3.3Å; Q492-I496 PolarHBondContact O-N 3.19Å
493	V	81.1	Confident	77.7	Confident	10 Å²	10	71.8 Å²	71.8	6%	0.061	36%	0.355	C	S	.	.	H	α-helix	trans	-59.2	-47.1	172.2	174.5	0	0	0	0	110.8	L53 A56 R60 S489 S490 Q495 I496 Q497	L53-V493 HydrophobicContact CD1-CG1 4.13Å; A56-V493 HydrophobicContact CB-CG2 3.85Å; A56-V493 VanDerWaalsContact O-CG2 3.25Å; A56-V493 WeakPolarHBondContact O-CG2 3.35Å; R60-V493 HydrophobicContact CB-CG2 4.17Å; S489-V493 WeakPolarHBondContact O-CG2 3.48Å; S489-V493 PolarHBondContact O-N 3.32Å; S490-V493 PolarHBondContact O-N 2.87Å; V493-Q495 PolarHBondContact O-N 3.45Å; V493-I496 PolarHBondContact O-N 3.03Å; V493-Q497 HydrophobicContact CG1-CG 4.48Å; V493-Q497 WeakPolarHBondContact O-CB 3.35Å; V493-Q497 WeakPolarHBondContact O-CG 3.49Å; V493-Q497 PolarHBondContact O-N 3.49Å
494	S	84.6	Confident	79.3	Confident	62 Å²	62	72.5 Å²	72.5	43%	0.434	36%	0.356	S	S	.	.	H	α-helix	trans	-61.7	-40.4	177	-68	0	0	0	0	113.2	S490 R491 Q492 Q497 E498	S490-S494 PolarHBondContact O-N 3.36Å; S490-S494 VanDerWaalsContact O-N 3.08Å; S490-S494 PolarHBondContact O-OG 3.44Å; R491-S494 PolarHBondContact O-N 2.59Å; Q492-S494 PolarHBondContact O-N 2.89Å; S494-Q497 PolarHBondContact O-N 2.87Å; S494-E498 PolarHBondContact O-N 2.96Å
495	Q	87.8	Confident	81	Confident	129 Å²	129	73 Å²	73	60%	0.603	35%	0.353	S	S	*	.	H	α-helix	trans	-64.4	-42.2	177.2	-78.2	174.5	-16.9	0	0	112	R491 Q492 V493 E498 T499	R491-Q495 WeakPolarHBondContact O-CB 3.28Å; R491-Q495 WeakPolarHBondContact O-CG 3.36Å; R491-Q495 PolarHBondContact O-N 2.9Å; Q492-Q495 PolarHBondContact O-N 2.83Å; V493-Q495 PolarHBondContact O-N 3.45Å; Q495-E498 PolarHBondContact O-N 3.2Å; Q495-T499 WeakPolarHBondContact O-CB 3.21Å; Q495-T499 PolarHBondContact O-N 2.89Å; Q495-T499 PolarHBondContact O-OG1 3.45Å
496	I	81.5	Confident	82.3	Confident	36 Å²	36	72.3 Å²	72.3	19%	0.185	34%	0.342	C	S	.	.	H	α-helix	trans	-66.7	-42.7	176.8	-70.6	165.5	0	0	0	110.4	A52 A56 Q492 V493 E498 T499 Y500	A52-I496 HydrophobicContact CB-CG2 4.1Å; A56-I496 HydrophobicContact CB-CD1 3.45Å; A56-I496 VanDerWaalsContact CB-CD1 3.45Å; Q492-I496 HydrophobicContact CG-CD1 4.19Å; Q492-I496 WeakPolarHBondContact O-CG1 3.3Å; Q492-I496 PolarHBondContact O-N 3.19Å; V493-I496 PolarHBondContact O-N 3.03Å; I496-E498 PolarHBondContact O-N 2.05Å; I496-T499 PolarHBondContact O-N 2.9Å; I496-Y500 HydrophobicContact CG2-CD2 3.89Å; I496-Y500 HydrophobicContact CG2-CE2 4.19Å; I496-Y500 WeakPolarHBondContact O-CD2 3.44Å; I496-Y500 PolarHBondContact O-N 3.39Å
497	Q	85.9	Confident	83.1	Confident	88 Å²	88	73.5 Å²	73.5	41%	0.411	35%	0.352	S	S	.	.	H	α-helix	trans	-58.6	-44.9	174.7	-75.9	-179.1	-27.7	0	0	112.2	L53 V493 S494 K501	L53-Q497 HydrophobicContact CD1-CG 3.42Å; L53-Q497 VanDerWaalsContact CD1-CG 3.42Å; L53-Q497 HydrophobicContact CD2-CG 4.45Å; V493-Q497 HydrophobicContact CG1-CG 4.48Å; V493-Q497 WeakPolarHBondContact O-CB 3.35Å; V493-Q497 WeakPolarHBondContact O-CG 3.49Å; V493-Q497 PolarHBondContact O-N 3.49Å; S494-Q497 PolarHBondContact O-N 2.87Å; Q497-K501 WeakPolarHBondContact O-CA 3.43Å; Q497-K501 WeakPolarHBondContact O-CB 3.12Å; Q497-K501 PolarHBondContact O-N 3.34Å
498	E	88.4	Confident	83.5	Confident	119 Å²	119	71.8 Å²	71.8	56%	0.556	36%	0.356	S	S	*	.	H	α-helix	trans	-67.9	-38.5	177.5	-74.7	-62.5	141.3	0	0	112.1	S494 Q495 I496 Y500 K501	S494-E498 PolarHBondContact O-N 2.96Å; Q495-E498 PolarHBondContact O-N 3.2Å; I496-E498 PolarHBondContact O-N 2.05Å; E498-Y500 VanDerWaalsContact C-N 3.32Å; E498-Y500 PolarHBondContact O-N 3.5Å; E498-K501 WeakPolarHBondContact O-CB 3.46Å; E498-K501 PolarHBondContact O-N 3.03Å; E498-K501 IonicContact OE1-NZ 3.07Å; E498-K501 PolarHBondContact OE1-NZ 3.47Å; E498-K501 WeakPolarHBondContact OE2-CD 3.08Å; E498-K501 IonicContact OE2-NZ 2.92Å; E498-K501 PolarHBondContact OE2-NZ 2.02Å
499	T	88.6	Confident	84	Confident	86 Å²	86	71 Å²	71	53%	0.528	36%	0.362	S	S	.	.	H	α-helix	trans	-61.1	-40.1	177.5	-58.3	0	0	0	0	112.2	Q495 I496	Q495-T499 WeakPolarHBondContact O-CB 3.21Å; Q495-T499 PolarHBondContact O-N 2.89Å; Q495-T499 PolarHBondContact O-OG1 3.45Å; I496-T499 PolarHBondContact O-N 2.9Å
500	Y	88.8	Confident	84.9	Confident	64 Å²	64	73.3 Å²	73.3	25%	0.251	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	8.3	-177.8	-69.5	-75.2	0	0	0	114.4	A49 A52 I496 E498 W502 I503 L504	A49-Y500 HydrophobicContact CB-CD1 3.41Å; A49-Y500 VanDerWaalsContact CB-CD1 3.41Å; A49-Y500 HydrophobicContact CB-CD2 4.44Å; A49-Y500 HydrophobicContact CB-CE1 4.03Å; A49-Y500 HydrophobicContact CB-CG 3.65Å; A52-Y500 HydrophobicContact CB-CD2 4.5Å; A52-Y500 HydrophobicContact CB-CE2 3.85Å; I496-Y500 HydrophobicContact CG2-CD2 3.89Å; I496-Y500 HydrophobicContact CG2-CE2 4.19Å; I496-Y500 WeakPolarHBondContact O-CD2 3.44Å; I496-Y500 PolarHBondContact O-N 3.39Å; E498-Y500 VanDerWaalsContact C-N 3.32Å; E498-Y500 PolarHBondContact O-N 3.5Å; Y500-W502 PolarHBondContact O-N 2.93Å; Y500-W502 VanDerWaalsContact O-N 3.12Å; Y500-I503 HydrophobicContact CD1-CG2 4.12Å; Y500-I503 VanDerWaalsContact O-CG2 3.25Å; Y500-I503 WeakPolarHBondContact O-CG2 3.29Å; Y500-I503 PolarHBondContact O-N 2.9Å; Y500-L504 WeakPolarHBondContact O-CG 3.11Å; Y500-L504 PolarHBondContact O-N 3.45Å
501	K	87.9	Confident	85.3	Confident	96 Å²	96	73.3 Å²	73.3	42%	0.417	37%	0.372	S	S	.	.	H	α-helix	trans	-54.4	-35.4	-177.2	-171.9	173.6	-172.1	161.8	0	114.2	Q497 E498 I503 N505	Q497-K501 WeakPolarHBondContact O-CA 3.43Å; Q497-K501 WeakPolarHBondContact O-CB 3.12Å; Q497-K501 PolarHBondContact O-N 3.34Å; E498-K501 WeakPolarHBondContact O-CB 3.46Å; E498-K501 PolarHBondContact O-N 3.03Å; E498-K501 IonicContact OE1-NZ 3.07Å; E498-K501 PolarHBondContact OE1-NZ 3.47Å; E498-K501 WeakPolarHBondContact OE2-CD 3.08Å; E498-K501 IonicContact OE2-NZ 2.92Å; E498-K501 PolarHBondContact OE2-NZ 2.02Å; K501-I503 VanDerWaalsContact C-N 3.27Å; K501-I503 PolarHBondContact O-N 2.88Å; K501-N505 WeakPolarHBondContact CG-ND2 3.24Å; K501-N505 PolarHBondContact O-ND2 2.85Å
502	W	86.3	Confident	85.8	Confident	71 Å²	71	71.6 Å²	71.6	27%	0.269	37%	0.37	S	S	.	.	H	α-helix	trans	-63.3	-32.2	179.8	68.9	-87.9	0	0	0	112.7	A45 Y500 L569 L572 K573	A45-W502 HydrophobicContact CB-CH2 4.39Å; Y500-W502 PolarHBondContact O-N 2.93Å; Y500-W502 VanDerWaalsContact O-N 3.12Å; W502-L569 HydrophobicContact CH2-CD2 4.17Å; W502-L569 HydrophobicContact CZ3-CD2 4.12Å; W502-L572 HydrophobicContact CE3-CD2 4.05Å; W502-L572 HydrophobicContact CZ3-CD2 3.95Å; W502-K573 HydrophobicContact CB-CG 4.36Å; W502-K573 HydrophobicContact CD2-CG 4.5Å; W502-K573 HydrophobicContact CG-CG 4.1Å
503	I	88.6	Confident	86.5	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-98.6	-40.8	-179	-168.9	148.4	0	0	0	112.4	L42 A45 M46 A49 Y500 K501 N505 I506	L42-I503 HydrophobicContact CD1-CD1 4.08Å; A45-I503 VanDerWaalsContact C-CD1 3.46Å; A45-I503 HydrophobicContact CB-CD1 3.39Å; M46-I503 HydrophobicContact CB-CD1 4.11Å; M46-I503 HydrophobicContact CB-CG1 4.08Å; M46-I503 HydrophobicContact CE-CG1 3.97Å; M46-I503 WeakPolarHBondContact CE-O 3.34Å; M46-I503 VanDerWaalsContact N-CD1 3.28Å; M46-I503 HydrophobicContact SD-CG1 4.19Å; A49-I503 HydrophobicContact CB-CG2 3.66Å; Y500-I503 HydrophobicContact CD1-CG2 4.12Å; Y500-I503 VanDerWaalsContact O-CG2 3.25Å; Y500-I503 WeakPolarHBondContact O-CG2 3.29Å; Y500-I503 PolarHBondContact O-N 2.9Å; K501-I503 VanDerWaalsContact C-N 3.27Å; K501-I503 PolarHBondContact O-N 2.88Å; I503-N505 PolarHBondContact O-N 2.82Å; I503-N505 VanDerWaalsContact O-N 3.11Å; I503-I506 HydrophobicContact CB-CD1 4.46Å; I503-I506 HydrophobicContact CG1-CD1 4.15Å; I503-I506 WeakPolarHBondContact O-CB 3.19Å; I503-I506 WeakPolarHBondContact O-CG1 3.32Å; I503-I506 PolarHBondContact O-N 3.3Å
504	L	86.3	Confident	87.2	Confident	46 Å²	46	70 Å²	70	24%	0.241	37%	0.368	C	S	.	.	H	α-helix	trans	-63.6	-20.6	-177	-69.1	173.6	0	0	0	113.8	M46 A49 L50 L53 Y500	M46-L504 HydrophobicContact SD-CD2 4.31Å; A49-L504 HydrophobicContact CB-CD2 3.82Å; A49-L504 HydrophobicContact CB-CG 4.17Å; L50-L504 HydrophobicContact CD2-CD2 3.9Å; L50-L504 HydrophobicContact CG-CD2 4.21Å; L53-L504 HydrophobicContact CD2-CD1 4.39Å; Y500-L504 WeakPolarHBondContact O-CG 3.11Å; Y500-L504 PolarHBondContact O-N 3.45Å
505	N	86.3	Confident	87.6	Confident	118 Å²	118	67.3 Å²	67.3	63%	0.631	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-0.8	177.2	-71.5	-33.2	0	0	0	113.9	K501 I503 P507	K501-N505 WeakPolarHBondContact CG-ND2 3.24Å; K501-N505 PolarHBondContact O-ND2 2.85Å; I503-N505 PolarHBondContact O-N 2.82Å; I503-N505 VanDerWaalsContact O-N 3.11Å; N505-P507 WeakPolarHBondContact O-CD 3.3Å
506	I	86.5	Confident	88	Confident	16 Å²	16	66.3 Å²	66.3	8%	0.082	34%	0.343	C	S	.	.	S	Bend	trans	-81.2	122.1	179.2	-60	167.9	0	0	0	108.8	L42 M46 I503 N510 L511 A540 L572	L42-I506 HydrophobicContact CD1-CD1 4.48Å; M46-I506 HydrophobicContact CE-CB 4.15Å; I503-I506 HydrophobicContact CB-CD1 4.46Å; I503-I506 HydrophobicContact CG1-CD1 4.15Å; I503-I506 WeakPolarHBondContact O-CB 3.19Å; I503-I506 WeakPolarHBondContact O-CG1 3.32Å; I503-I506 PolarHBondContact O-N 3.3Å; I506-N510 HydrophobicContact CG2-CB 4.14Å; I506-L511 HydrophobicContact CG2-CD1 4.3Å; I506-A540 HydrophobicContact CB-CB 4.46Å; I506-A540 HydrophobicContact CD1-CB 3.45Å; I506-A540 VanDerWaalsContact CD1-CB 3.45Å; I506-A540 HydrophobicContact CG1-CB 3.83Å; I506-A540 HydrophobicContact CG2-CB 3.78Å; I506-L572 HydrophobicContact CD1-CD2 4.18Å
507	P	84	Confident	88.6	Confident	67 Å²	67	65.9 Å²	65.9	44%	0.435	34%	0.341	S	S	.	.			trans	-62	143.8	173.5	-19.6	31.2	0	0	0	111.3	N505 S509 N510 L511	N505-P507 WeakPolarHBondContact O-CD 3.3Å; P507-S509 PolarHBondContact O-N 2.94Å; P507-S509 VanDerWaalsContact O-N 3.09Å; P507-N510 WeakPolarHBondContact O-CA 3.07Å; P507-N510 WeakPolarHBondContact O-CB 3.29Å; P507-N510 PolarHBondContact O-N 3.02Å; P507-L511 PolarHBondContact O-N 3.17Å
508	N	79.5	Confident	89	Confident	139 Å²	139	61.7 Å²	61.7	74%	0.743	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-54.8	-31.6	177.1	-69.7	-13.7	0	0	0	113.2	N510 L511	N508-N510 PolarHBondContact O-N 3.5Å; N508-L511 PolarHBondContact O-N 3.48Å
509	S	83.1	Confident	89.2	Confident	91 Å²	91	58.4 Å²	58.4	64%	0.636	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-63.5	-21.1	175.3	59.9	0	0	0	0	113.8	P507	P507-S509 PolarHBondContact O-N 2.94Å; P507-S509 VanDerWaalsContact O-N 3.09Å
510	N	88.1	Confident	89.4	Confident	58 Å²	58	54.4 Å²	54.4	31%	0.31	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-107.2	-0.2	-174.8	-66.8	8.5	0	0	0	112	I506 P507 N508 Q512 A540	I506-N510 HydrophobicContact CG2-CB 4.14Å; P507-N510 WeakPolarHBondContact O-CA 3.07Å; P507-N510 WeakPolarHBondContact O-CB 3.29Å; P507-N510 PolarHBondContact O-N 3.02Å; N508-N510 PolarHBondContact O-N 3.5Å; N510-Q512 PolarHBondContact O-N 3.34Å; N510-A540 CarbonylContact O-C 3.59Å; N510-A540 WeakPolarHBondContact O-CA 3.33Å
511	L	87.9	Confident	89.6	Confident	26 Å²	26	52.9 Å²	52.9	14%	0.136	28%	0.279	C	S	.	.			trans	-74.3	63.9	-175.3	-164.5	71.1	0	0	0	112.1	L42 E43 M46 I506 P507 N508	L42-L511 HydrophobicContact CD2-CD1 4.2Å; L42-L511 HydrophobicContact CG-CD1 3.83Å; L42-L511 HydrophobicContact CG-CG 4.44Å; E43-L511 HydrophobicContact CB-CD2 4.44Å; E43-L511 HydrophobicContact CG-CD2 3.86Å; E43-L511 HydrophobicContact CG-CG 4.13Å; M46-L511 HydrophobicContact CB-CD1 4.01Å; M46-L511 HydrophobicContact CB-CD2 4.17Å; M46-L511 HydrophobicContact CE-CD1 3.86Å; M46-L511 HydrophobicContact CG-CD1 4.37Å; M46-L511 HydrophobicContact CG-CD2 4.22Å; I506-L511 HydrophobicContact CG2-CD1 4.3Å; P507-L511 PolarHBondContact O-N 3.17Å; N508-L511 PolarHBondContact O-N 3.48Å
512	Q	92.2	Very high	89.6	Confident	105 Å²	105	51.3 Å²	51.3	49%	0.491	28%	0.275	S	S	.	.			trans	-148.6	155.9	-178.7	57.9	-177.5	-41	0	0	111.4	T39 N510 A540	T39-Q512 HydrophobicContact CG2-CB 4.2Å; N510-Q512 PolarHBondContact O-N 3.34Å; Q512-A540 PolarHBondContact O-N 3.48Å
513	M	93.3	Very high	89.8	Confident	3 Å²	3	52.9 Å²	52.9	2%	0.015	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	126.5	169	-59.5	-153	-173.5	0	0	109.9	S35 G38 T39 L42 F515 V539 I565 L569	S35-M513 CarbonylContact C-O 3.6Å; S35-M513 WeakPolarHBondContact CA-O 3.07Å; S35-M513 WeakPolarHBondContact CB-O 3.44Å; G38-M513 WeakPolarHBondContact O-CE 3.27Å; G38-M513 WeakPolarHBondContact O-CG 3.47Å; T39-M513 PolarHBondContact OG1-N 2.93Å; T39-M513 PolarHBondContact OG1-O 3.2Å; L42-M513 HydrophobicContact CB-CE 3.83Å; L42-M513 HydrophobicContact CB-CG 4.33Å; L42-M513 HydrophobicContact CD1-CE 4.19Å; L42-M513 HydrophobicContact CD2-CE 4.47Å; L42-M513 HydrophobicContact CD2-CG 4.13Å; L42-M513 HydrophobicContact CG-CE 4.38Å; M513-F515 HydrophobicContact CB-CE2 4.18Å; M513-F515 HydrophobicContact SD-CE2 4.43Å; M513-V539 HydrophobicContact CE-CG1 3.9Å; M513-V539 HydrophobicContact CG-CG1 3.94Å; M513-V539 HydrophobicContact CG-CG2 4.33Å; M513-V539 HydrophobicContact SD-CG1 4.04Å; M513-V539 HydrophobicContact SD-CG2 4.21Å; M513-I565 HydrophobicContact CE-CG2 4.26Å; M513-I565 HydrophobicContact SD-CG2 4.41Å; M513-L569 HydrophobicContact CE-CD1 4.41Å; M513-L569 HydrophobicContact CE-CD2 3.34Å; M513-L569 HydrophobicContact CE-CG 3.73Å
514	S	95	Very high	89.9	Confident	50 Å²	50	54.3 Å²	54.3	35%	0.35	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	104.4	177.6	177.9	0	0	0	0	110	Q516 A537 V538	S514-Q516 PolarHBondContact O-N 3.11Å; S514-A537 CarbonylContact O-C 3.57Å; S514-A537 VanDerWaalsContact O-CA 3.24Å; S514-A537 WeakPolarHBondContact O-CA 3.35Å; S514-V538 PolarHBondContact N-O 3.31Å; S514-V538 PolarHBondContact O-N 2.94Å
515	F	94.5	Very high	90.1	Very high	5 Å²	5	57.9 Å²	57.9	2%	0.022	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	114.5	174	-68.8	-98.5	0	0	0	109.3	L31 L34 S35 M513 I535 A537 F546 I564 A568	L31-F515 HydrophobicContact CD2-CB 4.2Å; L34-F515 HydrophobicContact CB-CD2 4.22Å; L34-F515 HydrophobicContact CB-CG 4.42Å; L34-F515 HydrophobicContact CD1-CE2 4.29Å; L34-F515 HydrophobicContact CD1-CZ 4.2Å; L34-F515 HydrophobicContact CD2-CB 4.11Å; L34-F515 HydrophobicContact CD2-CD1 3.38Å; L34-F515 HydrophobicContact CD2-CD2 3.97Å; L34-F515 HydrophobicContact CD2-CE1 3.66Å; L34-F515 HydrophobicContact CD2-CE2 4.22Å; L34-F515 HydrophobicContact CD2-CG 3.54Å; L34-F515 HydrophobicContact CD2-CZ 4.07Å; L34-F515 HydrophobicContact CG-CB 4.47Å; L34-F515 HydrophobicContact CG-CD1 3.92Å; L34-F515 HydrophobicContact CG-CD2 3.59Å; L34-F515 HydrophobicContact CG-CE1 3.96Å; L34-F515 HydrophobicContact CG-CE2 3.65Å; L34-F515 HydrophobicContact CG-CG 3.72Å; L34-F515 HydrophobicContact CG-CZ 3.83Å; S35-F515 PolarHBondContact OG-N 3.42Å; M513-F515 HydrophobicContact CB-CE2 4.18Å; M513-F515 HydrophobicContact SD-CE2 4.43Å; F515-I535 HydrophobicContact CD1-CG2 3.61Å; F515-I535 HydrophobicContact CE1-CG2 3.9Å; F515-A537 HydrophobicContact CD1-CB 3.8Å; F515-A537 HydrophobicContact CE1-CB 4.11Å; F515-A537 HydrophobicContact CG-CB 4.11Å; F515-F546 AromaticContact CE1-CZ 3.98Å; F515-F546 HydrophobicContact CE1-CZ 3.98Å; F515-I564 HydrophobicContact CE1-CG2 3.61Å; F515-I564 HydrophobicContact CZ-CG2 4.08Å; F515-A568 HydrophobicContact CZ-CB 4.38Å
516	Q	94.4	Very high	90.2	Very high	108 Å²	108	54.7 Å²	54.7	51%	0.505	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-36.7	-174.7	-62.9	179.9	-10.4	0	0	111.8	S514 R536	S514-Q516 PolarHBondContact O-N 3.11Å; Q516-R536 PolarHBondContact N-O 3.3Å
517	E	94.7	Very high	90.1	Very high	27 Å²	27	62.4 Å²	62.4	13%	0.126	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	135.9	-175.1	179.8	174.5	-123.5	0	0	111	R25 L519 I535 R536	R25-E517 IonicContact CZ-OE1 3.29Å; R25-E517 VanDerWaalsContact CZ-OE1 3.29Å; R25-E517 IonicContact NE-OE1 3.16Å; R25-E517 PolarHBondContact NE-OE1 3.4Å; R25-E517 VanDerWaalsContact NE-OE1 3.16Å; R25-E517 IonicContact NH2-OE1 2.88Å; R25-E517 PolarHBondContact NH2-OE1 3.48Å; E517-L519 HydrophobicContact CG-CD1 4.3Å; E517-L519 HydrophobicContact CG-CD2 4.22Å; E517-L519 HydrophobicContact CG-CG 3.78Å; E517-I535 CarbonylContact O-C 3.49Å; E517-I535 WeakPolarHBondContact O-CA 3.38Å; E517-R536 HydrophobicContact CB-CB 4.22Å; E517-R536 HydrophobicContact CB-CG 4.5Å; E517-R536 PolarHBondContact N-O 3.24Å; E517-R536 VanDerWaalsContact N-O 3.15Å; E517-R536 PolarHBondContact O-N 3.43Å; E517-R536 VanDerWaalsContact OE2-CD 3.25Å; E517-R536 WeakPolarHBondContact OE2-CD 3.43Å
518	V	94	Very high	90	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	110.4	168.4	176.3	0	0	0	0	107.1	M26 L31 L34 V520 A533 I535 V550	M26-V518 HydrophobicContact CB-CB 4.03Å; M26-V518 HydrophobicContact CE-CG1 4.23Å; M26-V518 HydrophobicContact CG-CB 3.91Å; M26-V518 HydrophobicContact CG-CG1 3.86Å; M26-V518 PolarHBondContact N-O 3.48Å; M26-V518 VanDerWaalsContact N-O 3.12Å; L31-V518 HydrophobicContact CD2-CB 4.04Å; L31-V518 HydrophobicContact CD2-CG2 3.51Å; L34-V518 HydrophobicContact CD2-CG2 4.46Å; V518-V520 HydrophobicContact CG1-CG2 4.07Å; V518-A533 HydrophobicContact CG1-CB 3.93Å; V518-I535 HydrophobicContact CG1-CG1 4.17Å; V518-I535 HydrophobicContact CG2-CB 4.48Å; V518-I535 HydrophobicContact CG2-CD1 4.46Å; V518-I535 HydrophobicContact CG2-CG1 4.09Å; V518-I535 HydrophobicContact CG2-CG2 4.01Å; V518-V550 HydrophobicContact CG1-CG2 4.26Å
519	L	93.3	Very high	90.2	Very high	51 Å²	51	64.2 Å²	64.2	27%	0.267	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	113.3	177.3	-67.6	173.5	0	0	0	109.1	R25 E517 A533 R534	R25-L519 HydrophobicContact CB-CD2 3.99Å; R25-L519 HydrophobicContact CG-CD2 4.17Å; E517-L519 HydrophobicContact CG-CD1 4.3Å; E517-L519 HydrophobicContact CG-CD2 4.22Å; E517-L519 HydrophobicContact CG-CG 3.78Å; L519-A533 CarbonylContact O-C 3.59Å; L519-A533 WeakPolarHBondContact O-CA 3.46Å; L519-R534 PolarHBondContact N-O 3.25Å; L519-R534 PolarHBondContact O-N 3.44Å
520	V	92.8	Very high	90.6	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.006	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.2	-176.2	-174.7	0	0	0	0	109.5	A23 Y24 M26 V518 L522 Y531 A533 V550 L552	A23-V520 CarbonylContact C-O 3.55Å; A23-V520 WeakPolarHBondContact CA-O 3.21Å; Y24-V520 HydrophobicContact CD1-CB 4.38Å; Y24-V520 HydrophobicContact CD1-CG2 4.29Å; Y24-V520 PolarHBondContact N-O 3.16Å; Y24-V520 PolarHBondContact O-N 3.38Å; M26-V520 HydrophobicContact CG-CG2 4.39Å; V518-V520 HydrophobicContact CG1-CG2 4.07Å; V520-L522 PolarHBondContact O-N 2.7Å; V520-Y531 HydrophobicContact CG1-CD1 4.38Å; V520-Y531 HydrophobicContact CG1-CG 3.85Å; V520-A533 HydrophobicContact CG2-CB 3.99Å; V520-V550 HydrophobicContact CG2-CG1 4.49Å; V520-L552 HydrophobicContact CB-CD2 4.29Å; V520-L552 HydrophobicContact CG1-CD1 4.38Å; V520-L552 HydrophobicContact CG1-CD2 4.1Å; V520-L552 HydrophobicContact CG1-CG 4.41Å; V520-L552 HydrophobicContact CG2-CD2 3.98Å
521	D	92.2	Very high	90.8	Very high	32 Å²	32	60.2 Å²	60.2	17%	0.171	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	106.4	174	-174.1	-19.9	0	0	0	109.4	T523 S524 Q532	D521-T523 PolarHBondContact O-N 3.4Å; D521-T523 WeakPolarHBondContact OD1-CB 3.48Å; D521-T523 PolarHBondContact OD1-N 2.98Å; D521-T523 PolarHBondContact OD1-OG1 2.96Å; D521-S524 PolarHBondContact O-N 2.76Å; D521-S524 VanDerWaalsContact O-N 3.13Å; D521-S524 PolarHBondContact O-OG 2.87Å; D521-Q532 PolarHBondContact N-O 2.65Å
522	L	89.5	Confident	91	Very high	63 Å²	63	63.7 Å²	63.7	33%	0.33	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-17.4	-175.7	-64.8	-178.9	0	0	0	113.1	E22 V520 S524 Y531 L552	E22-L522 HydrophobicContact CB-CD1 4.37Å; E22-L522 PolarHBondContact O-N 3.12Å; V520-L522 PolarHBondContact O-N 2.7Å; L522-S524 VanDerWaalsContact C-N 3.31Å; L522-Y531 HydrophobicContact CD2-CE1 4.36Å; L522-Y531 WeakPolarHBondContact O-CE1 3.35Å; L522-L552 HydrophobicContact CD2-CD1 3.59Å
523	T	89.4	Confident	91.1	Very high	105 Å²	105	58.8 Å²	58.8	64%	0.644	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-7.7	178.3	70.7	0	0	0	0	113.2	D521	D521-T523 PolarHBondContact O-N 3.4Å; D521-T523 WeakPolarHBondContact OD1-CB 3.48Å; D521-T523 PolarHBondContact OD1-N 2.98Å; D521-T523 PolarHBondContact OD1-OG1 2.96Å
524	S	90.9	Very high	91.2	Very high	29 Å²	29	64 Å²	64	20%	0.203	32%	0.316	C	S	.	.			trans	-100.3	20.3	-170.5	71.1	0	0	0	0	114.9	D521 L522 N526 Q532	D521-S524 PolarHBondContact O-N 2.76Å; D521-S524 VanDerWaalsContact O-N 3.13Å; D521-S524 PolarHBondContact O-OG 2.87Å; L522-S524 VanDerWaalsContact C-N 3.31Å; S524-N526 PolarHBondContact O-N 2.84Å; S524-Q532 VanDerWaalsContact OG-CB 3.29Å; S524-Q532 WeakPolarHBondContact OG-CB 3.32Å; S524-Q532 PolarHBondContact OG-N 3.36Å
525	K	90.6	Very high	91.3	Very high	121 Å²	121	61.6 Å²	61.6	53%	0.526	30%	0.3	S	S	.	.			trans	-62.3	124.7	-177.6	-165.4	-178.2	-171.6	168.7	0	110.7	L530 Y531	K525-L530 WeakPolarHBondContact CA-O 3.36Å; K525-Y531 HydrophobicContact CB-CD1 3.95Å; K525-Y531 HydrophobicContact CB-CE1 3.61Å; K525-Y531 HydrophobicContact CD-CE1 4.2Å; K525-Y531 HydrophobicContact CD-CE2 4.43Å; K525-Y531 WeakPolarHBondContact CD-OH 3.44Å; K525-Y531 HydrophobicContact CG-CD1 4.41Å; K525-Y531 HydrophobicContact CG-CE1 3.91Å; K525-Y531 HydrophobicContact CG-CE2 4.19Å
526	N	87.8	Confident	91.4	Very high	51 Å²	51	66.8 Å²	66.8	27%	0.273	32%	0.319	S	S	.	.			trans	-91.3	174.3	173.2	69.8	18.7	0	0	0	112.5	S524 R528 G529 L530	S524-N526 PolarHBondContact O-N 2.84Å; N526-R528 PolarHBondContact O-N 3.49Å; N526-R528 WeakPolarHBondContact OD1-CA 3.42Å; N526-R528 WeakPolarHBondContact OD1-CB 3.4Å; N526-R528 PolarHBondContact OD1-N 3.39Å; N526-G529 PolarHBondContact O-N 2.83Å; N526-G529 PolarHBondContact OD1-N 2.91Å; N526-L530 PolarHBondContact N-O 2.77Å; N526-L530 PolarHBondContact OD1-N 3.03Å; N526-L530 PolarHBondContact OD1-O 2.97Å
527	D	85.3	Confident	91.4	Very high	178 Å²	178	61.8 Å²	61.8	95%	0.952	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-14.2	179.8	-52.2	-29.5	0	0	0	114.1
528	R	82.4	Confident	91.4	Very high	220 Å²	220	62.1 Å²	62.1	83%	0.83	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	6.7	177	-58.6	-174.6	-177.5	-176.8	0.9	113.1	N526 L530	N526-R528 PolarHBondContact O-N 3.49Å; N526-R528 WeakPolarHBondContact OD1-CA 3.42Å; N526-R528 WeakPolarHBondContact OD1-CB 3.4Å; N526-R528 PolarHBondContact OD1-N 3.39Å; R528-L530 VanDerWaalsContact C-N 3.28Å; R528-L530 PolarHBondContact O-N 3.12Å
529	G	84	Confident	91.3	Very high	24 Å²	24	62.1 Å²	62.1	25%	0.247	30%	0.3	C	S	.	.	S	Bend	trans	71.6	18.2	-179.1	0	0	0	0	0	114.9	N526	N526-G529 PolarHBondContact O-N 2.83Å; N526-G529 PolarHBondContact OD1-N 2.91Å
530	L	89.7	Confident	91.2	Very high	30 Å²	30	60 Å²	60	16%	0.157	29%	0.29	C	S	.	.			trans	-100	148	175.8	-57.4	173.3	0	0	0	110.6	K525 N526 R528 L549	K525-L530 WeakPolarHBondContact CA-O 3.36Å; N526-L530 PolarHBondContact N-O 2.77Å; N526-L530 PolarHBondContact OD1-N 3.03Å; N526-L530 PolarHBondContact OD1-O 2.97Å; R528-L530 VanDerWaalsContact C-N 3.28Å; R528-L530 PolarHBondContact O-N 3.12Å; L530-L549 HydrophobicContact CB-CB 4.09Å; L530-L549 HydrophobicContact CB-CD2 4.49Å; L530-L549 HydrophobicContact CD1-CB 4.12Å; L530-L549 HydrophobicContact CD1-CD1 4.41Å
531	Y	92.4	Very high	91	Very high	36 Å²	36	61.9 Å²	61.9	14%	0.141	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	147.1	-178.9	-60.8	-99	0	0	0	110	V520 L522 K525 L549 V550 L552	V520-Y531 HydrophobicContact CG1-CD1 4.38Å; V520-Y531 HydrophobicContact CG1-CG 3.85Å; L522-Y531 HydrophobicContact CD2-CE1 4.36Å; L522-Y531 WeakPolarHBondContact O-CE1 3.35Å; K525-Y531 HydrophobicContact CB-CD1 3.95Å; K525-Y531 HydrophobicContact CB-CE1 3.61Å; K525-Y531 HydrophobicContact CD-CE1 4.2Å; K525-Y531 HydrophobicContact CD-CE2 4.43Å; K525-Y531 WeakPolarHBondContact CD-OH 3.44Å; K525-Y531 HydrophobicContact CG-CD1 4.41Å; K525-Y531 HydrophobicContact CG-CE1 3.91Å; K525-Y531 HydrophobicContact CG-CE2 4.19Å; Y531-L549 CarbonylContact O-C 3.58Å; Y531-L549 VanDerWaalsContact O-CA 3.31Å; Y531-L549 WeakPolarHBondContact O-CA 3.29Å; Y531-V550 PolarHBondContact N-O 2.76Å; Y531-V550 PolarHBondContact O-N 2.77Å; Y531-L552 HydrophobicContact CD2-CD1 3.84Å; Y531-L552 HydrophobicContact CD2-CG 3.86Å; Y531-L552 HydrophobicContact CE1-CD1 4.39Å; Y531-L552 HydrophobicContact CE2-CB 4.41Å; Y531-L552 HydrophobicContact CE2-CD1 3.69Å; Y531-L552 HydrophobicContact CE2-CG 3.98Å; Y531-L552 HydrophobicContact CG-CD1 4.3Å
532	Q	93.8	Very high	90.9	Very high	99 Å²	99	65.6 Å²	65.6	46%	0.463	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	130.9	169.6	-167.8	170.3	2.1	0	0	109.8	D521 S524 L549	D521-Q532 PolarHBondContact N-O 2.65Å; S524-Q532 VanDerWaalsContact OG-CB 3.29Å; S524-Q532 WeakPolarHBondContact OG-CB 3.32Å; S524-Q532 PolarHBondContact OG-N 3.36Å; Q532-L549 HydrophobicContact CB-CD2 4.49Å
533	A	93.9	Very high	91.1	Very high	1 Å²	1	67.8 Å²	67.8	1%	0.008	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	139.8	179	0	0	0	0	0	111.7	V518 L519 V520 I535 Y547 S548 V550	V518-A533 HydrophobicContact CG1-CB 3.93Å; L519-A533 CarbonylContact O-C 3.59Å; L519-A533 WeakPolarHBondContact O-CA 3.46Å; V520-A533 HydrophobicContact CG2-CB 3.99Å; A533-I535 HydrophobicContact CB-CG1 4.38Å; A533-Y547 VanDerWaalsContact O-CA 3.29Å; A533-Y547 WeakPolarHBondContact O-CA 3.39Å; A533-S548 PolarHBondContact N-O 3.28Å; A533-S548 PolarHBondContact O-N 3.48Å; A533-V550 HydrophobicContact CB-CB 4.1Å; A533-V550 HydrophobicContact CB-CG2 3.46Å; A533-V550 VanDerWaalsContact CB-CG2 3.46Å
534	R	95.5	Very high	91.3	Very high	112 Å²	112	63.2 Å²	63.2	42%	0.423	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	124.2	165.5	-174.7	179.4	178.6	173.2	1.4	108.6	L519 T545 Y547	L519-R534 PolarHBondContact N-O 3.25Å; L519-R534 PolarHBondContact O-N 3.44Å; R534-T545 HydrophobicContact CG-CG2 4.09Å; R534-Y547 HydrophobicContact CB-CD1 4.02Å; R534-Y547 HydrophobicContact CB-CE1 3.65Å; R534-Y547 HydrophobicContact CG-CD1 4.42Å; R534-Y547 HydrophobicContact CG-CE1 3.85Å
535	I	95.9	Very high	91.5	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.8	-174	-55.6	-176.2	0	0	0	109	F515 E517 V518 A533 T545 F546 V550 I564	F515-I535 HydrophobicContact CD1-CG2 3.61Å; F515-I535 HydrophobicContact CE1-CG2 3.9Å; E517-I535 CarbonylContact O-C 3.49Å; E517-I535 WeakPolarHBondContact O-CA 3.38Å; V518-I535 HydrophobicContact CG1-CG1 4.17Å; V518-I535 HydrophobicContact CG2-CB 4.48Å; V518-I535 HydrophobicContact CG2-CD1 4.46Å; V518-I535 HydrophobicContact CG2-CG1 4.09Å; V518-I535 HydrophobicContact CG2-CG2 4.01Å; A533-I535 HydrophobicContact CB-CG1 4.38Å; I535-T545 VanDerWaalsContact O-CA 3.28Å; I535-T545 WeakPolarHBondContact O-CA 3.21Å; I535-F546 HydrophobicContact CB-CD2 4.2Å; I535-F546 HydrophobicContact CB-CE1 4.45Å; I535-F546 HydrophobicContact CB-CE2 3.9Å; I535-F546 HydrophobicContact CB-CZ 4.02Å; I535-F546 HydrophobicContact CD1-CD2 4.48Å; I535-F546 HydrophobicContact CD1-CE2 3.86Å; I535-F546 HydrophobicContact CD1-CZ 4.47Å; I535-F546 HydrophobicContact CG1-CE2 4.36Å; I535-F546 HydrophobicContact CG2-CE1 4.1Å; I535-F546 HydrophobicContact CG2-CE2 4.01Å; I535-F546 HydrophobicContact CG2-CZ 3.65Å; I535-F546 PolarHBondContact N-O 3.02Å; I535-F546 PolarHBondContact O-N 3.4Å; I535-V550 HydrophobicContact CD1-CG2 4.29Å; I535-I564 HydrophobicContact CD1-CB 4.48Å; I535-I564 HydrophobicContact CD1-CG1 4.15Å; I535-I564 HydrophobicContact CD1-CG2 3.62Å
536	R	96	Very high	91.7	Very high	115 Å²	115	59.5 Å²	59.5	43%	0.434	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.5	170.1	-55	-178.3	89.6	177.6	2.4	108.5	Q516 E517 L544 T545	Q516-R536 PolarHBondContact N-O 3.3Å; E517-R536 HydrophobicContact CB-CB 4.22Å; E517-R536 HydrophobicContact CB-CG 4.5Å; E517-R536 PolarHBondContact N-O 3.24Å; E517-R536 VanDerWaalsContact N-O 3.15Å; E517-R536 PolarHBondContact O-N 3.43Å; E517-R536 VanDerWaalsContact OE2-CD 3.25Å; E517-R536 WeakPolarHBondContact OE2-CD 3.43Å; R536-L544 WeakPolarHBondContact CA-O 3.45Å; R536-T545 HydrophobicContact CG-CG2 4.3Å
537	A	95.3	Very high	91.9	Very high	2 Å²	2	63.5 Å²	63.5	2%	0.017	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	155.1	-179.9	0	0	0	0	0	110.5	S514 F515 V539 L544 F546	S514-A537 CarbonylContact O-C 3.57Å; S514-A537 VanDerWaalsContact O-CA 3.24Å; S514-A537 WeakPolarHBondContact O-CA 3.35Å; F515-A537 HydrophobicContact CD1-CB 3.8Å; F515-A537 HydrophobicContact CE1-CB 4.11Å; F515-A537 HydrophobicContact CG-CB 4.11Å; A537-V539 HydrophobicContact CB-CG2 4.18Å; A537-L544 PolarHBondContact N-O 2.97Å; A537-L544 PolarHBondContact O-N 3.14Å; A537-F546 HydrophobicContact CB-CE1 4.4Å
538	V	94.4	Very high	92.4	Very high	35 Å²	35	55.5 Å²	55.5	21%	0.212	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	115.3	164.4	173.4	0	0	0	0	107.1	S514 R542 P543	S514-V538 PolarHBondContact N-O 3.31Å; S514-V538 PolarHBondContact O-N 2.94Å; V538-R542 CarbonylContact C-O 3.47Å; V538-R542 VanDerWaalsContact CA-O 3.31Å; V538-R542 WeakPolarHBondContact CA-O 3.35Å; V538-P543 HydrophobicContact CG2-CB 4.31Å
539	V	92.9	Very high	92.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.2	-179	-177.8	0	0	0	0	106.8	L42 M513 A537 G541 R542 L544 A568 L572	L42-V539 HydrophobicContact CD2-CG1 4.43Å; M513-V539 HydrophobicContact CE-CG1 3.9Å; M513-V539 HydrophobicContact CG-CG1 3.94Å; M513-V539 HydrophobicContact CG-CG2 4.33Å; M513-V539 HydrophobicContact SD-CG1 4.04Å; M513-V539 HydrophobicContact SD-CG2 4.21Å; A537-V539 HydrophobicContact CB-CG2 4.18Å; V539-G541 PolarHBondContact O-N 2.03Å; V539-G541 VanDerWaalsContact O-N 3.15Å; V539-R542 PolarHBondContact N-O 2.95Å; V539-R542 WeakPolarHBondContact O-CB 3.23Å; V539-R542 PolarHBondContact O-N 3.22Å; V539-L544 HydrophobicContact CB-CD1 3.77Å; V539-L544 HydrophobicContact CG2-CD1 3.82Å; V539-A568 HydrophobicContact CG2-CB 4.33Å; V539-L572 HydrophobicContact CG1-CB 4.43Å; V539-L572 HydrophobicContact CG1-CD1 4.37Å; V539-L572 HydrophobicContact CG1-CD2 3.79Å; V539-L572 HydrophobicContact CG1-CG 4.42Å
540	A	90.8	Very high	93.2	Very high	6 Å²	6	45.5 Å²	45.5	5%	0.05	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	27.4	-179.5	0	0	0	0	0	114.1	L42 I506 N510 Q512 R542 L572	L42-A540 HydrophobicContact CD2-CB 4.49Å; I506-A540 HydrophobicContact CB-CB 4.46Å; I506-A540 HydrophobicContact CD1-CB 3.45Å; I506-A540 VanDerWaalsContact CD1-CB 3.45Å; I506-A540 HydrophobicContact CG1-CB 3.83Å; I506-A540 HydrophobicContact CG2-CB 3.78Å; N510-A540 CarbonylContact O-C 3.59Å; N510-A540 WeakPolarHBondContact O-CA 3.33Å; Q512-A540 PolarHBondContact O-N 3.48Å; A540-R542 PolarHBondContact O-N 2.61Å; A540-L572 HydrophobicContact CB-CD1 4Å; A540-L572 HydrophobicContact CB-CD2 3.95Å
541	G	88.6	Confident	93.2	Very high	41 Å²	41	44.1 Å²	44.1	42%	0.423	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	76	1.6	-172.8	0	0	0	0	0	115.1	V539	V539-G541 PolarHBondContact O-N 2.03Å; V539-G541 VanDerWaalsContact O-N 3.15Å
542	R	90.3	Very high	92.8	Very high	110 Å²	110	45.2 Å²	45.2	42%	0.415	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	127.5	176.2	-61.8	-172.8	-178.2	-155.9	-4.4	111	V538 V539 A540 L544 L572 S575 P576	V538-R542 CarbonylContact C-O 3.47Å; V538-R542 VanDerWaalsContact CA-O 3.31Å; V538-R542 WeakPolarHBondContact CA-O 3.35Å; V539-R542 PolarHBondContact N-O 2.95Å; V539-R542 WeakPolarHBondContact O-CB 3.23Å; V539-R542 PolarHBondContact O-N 3.22Å; A540-R542 PolarHBondContact O-N 2.61Å; R542-L544 HydrophobicContact CB-CD2 4.48Å; R542-L544 PolarHBondContact O-N 3.3Å; R542-L572 HydrophobicContact CB-CD1 4.28Å; R542-L572 HydrophobicContact CG-CD1 4.38Å; R542-S575 PolarHBondContact NH1-O 3.42Å; R542-P576 PolarHBondContact NH1-O 2.97Å; R542-P576 PolarHBondContact NH1-OXT 2.93Å
543	P	92.9	Very high	92.2	Very high	109 Å²	109	47.4 Å²	47.4	71%	0.708	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	123.9	172.8	29.8	-32	0	0	0	110.3	V538	V538-P543 HydrophobicContact CG2-CB 4.31Å
544	L	93.8	Very high	91.3	Very high	8 Å²	8	53.3 Å²	53.3	4%	0.042	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	143.9	-179.5	-56.8	178.8	0	0	0	110.1	R536 A537 V539 R542 F546 T571 L572	R536-L544 WeakPolarHBondContact CA-O 3.45Å; A537-L544 PolarHBondContact N-O 2.97Å; A537-L544 PolarHBondContact O-N 3.14Å; V539-L544 HydrophobicContact CB-CD1 3.77Å; V539-L544 HydrophobicContact CG2-CD1 3.82Å; R542-L544 HydrophobicContact CB-CD2 4.48Å; R542-L544 PolarHBondContact O-N 3.3Å; L544-F546 HydrophobicContact CB-CD1 4.33Å; L544-T571 HydrophobicContact CB-CG2 4.38Å; L544-T571 HydrophobicContact CD1-CG2 4.4Å; L544-T571 HydrophobicContact CD2-CG2 4.18Å; L544-L572 HydrophobicContact CD1-CB 3.99Å; L544-L572 HydrophobicContact CD1-CD1 4.34Å
545	T	94.1	Very high	90.3	Very high	63 Å²	63	54.2 Å²	54.2	39%	0.387	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	123.2	168.7	-59.1	0	0	0	0	108.6	R534 I535 R536	R534-T545 HydrophobicContact CG-CG2 4.09Å; I535-T545 VanDerWaalsContact O-CA 3.28Å; I535-T545 WeakPolarHBondContact O-CA 3.21Å; R536-T545 HydrophobicContact CG-CG2 4.3Å
546	F	94.8	Very high	89.5	Confident	10 Å²	10	55.4 Å²	55.4	4%	0.044	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	169.9	-178.9	58.3	-90.2	0	0	0	111.1	F515 I535 A537 L544 I564 V567 A568 T571	F515-F546 AromaticContact CE1-CZ 3.98Å; F515-F546 HydrophobicContact CE1-CZ 3.98Å; I535-F546 HydrophobicContact CB-CD2 4.2Å; I535-F546 HydrophobicContact CB-CE1 4.45Å; I535-F546 HydrophobicContact CB-CE2 3.9Å; I535-F546 HydrophobicContact CB-CZ 4.02Å; I535-F546 HydrophobicContact CD1-CD2 4.48Å; I535-F546 HydrophobicContact CD1-CE2 3.86Å; I535-F546 HydrophobicContact CD1-CZ 4.47Å; I535-F546 HydrophobicContact CG1-CE2 4.36Å; I535-F546 HydrophobicContact CG2-CE1 4.1Å; I535-F546 HydrophobicContact CG2-CE2 4.01Å; I535-F546 HydrophobicContact CG2-CZ 3.65Å; I535-F546 PolarHBondContact N-O 3.02Å; I535-F546 PolarHBondContact O-N 3.4Å; A537-F546 HydrophobicContact CB-CE1 4.4Å; L544-F546 HydrophobicContact CB-CD1 4.33Å; F546-I564 HydrophobicContact CE2-CG2 4.25Å; F546-I564 HydrophobicContact CZ-CG2 4.41Å; F546-V567 HydrophobicContact CB-CG1 4.16Å; F546-V567 HydrophobicContact CD2-CB 4.1Å; F546-V567 HydrophobicContact CD2-CG1 3.43Å; F546-V567 VanDerWaalsContact CD2-CG1 3.43Å; F546-V567 HydrophobicContact CE2-CB 4.2Å; F546-V567 HydrophobicContact CE2-CG1 4.04Å; F546-V567 HydrophobicContact CG-CG1 4Å; F546-A568 HydrophobicContact CE1-CB 3.75Å; F546-A568 HydrophobicContact CE2-CB 4.38Å; F546-A568 HydrophobicContact CZ-CB 3.53Å; F546-T571 HydrophobicContact CB-CG2 4.44Å
547	Y	93.9	Very high	88.9	Confident	134 Å²	134	50.5 Å²	50.5	53%	0.525	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	139.3	178	-64.6	-89.3	0	0	0	110.3	A533 R534	A533-Y547 VanDerWaalsContact O-CA 3.29Å; A533-Y547 WeakPolarHBondContact O-CA 3.39Å; R534-Y547 HydrophobicContact CB-CD1 4.02Å; R534-Y547 HydrophobicContact CB-CE1 3.65Å; R534-Y547 HydrophobicContact CG-CD1 4.42Å; R534-Y547 HydrophobicContact CG-CE1 3.85Å
548	S	94.8	Very high	88.1	Confident	10 Å²	10	55 Å²	55	7%	0.07	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	172.8	174.5	-165.4	0	0	0	0	110.9	A533	A533-S548 PolarHBondContact N-O 3.28Å; A533-S548 PolarHBondContact O-N 3.48Å
549	L	92.2	Very high	87.4	Confident	35 Å²	35	62.9 Å²	62.9	18%	0.183	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130	173.3	-72	178.4	0	0	0	109.9	L530 Y531 Q532	L530-L549 HydrophobicContact CB-CB 4.09Å; L530-L549 HydrophobicContact CB-CD2 4.49Å; L530-L549 HydrophobicContact CD1-CB 4.12Å; L530-L549 HydrophobicContact CD1-CD1 4.41Å; Y531-L549 CarbonylContact O-C 3.58Å; Y531-L549 VanDerWaalsContact O-CA 3.31Å; Y531-L549 WeakPolarHBondContact O-CA 3.29Å; Q532-L549 HydrophobicContact CB-CD2 4.49Å
550	V	91.4	Very high	87.1	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	134.9	-173.9	-178.5	0	0	0	0	109.6	M26 V518 V520 Y531 A533 I535 F557 I564	M26-V550 HydrophobicContact CE-CG1 3.63Å; V518-V550 HydrophobicContact CG1-CG2 4.26Å; V520-V550 HydrophobicContact CG2-CG1 4.49Å; Y531-V550 PolarHBondContact N-O 2.76Å; Y531-V550 PolarHBondContact O-N 2.77Å; A533-V550 HydrophobicContact CB-CB 4.1Å; A533-V550 HydrophobicContact CB-CG2 3.46Å; A533-V550 VanDerWaalsContact CB-CG2 3.46Å; I535-V550 HydrophobicContact CD1-CG2 4.29Å; V550-F557 HydrophobicContact CG1-CD2 4.3Å; V550-I564 HydrophobicContact CG2-CD1 3.86Å; V550-I564 HydrophobicContact CG2-CG1 4.35Å
551	G	88.6	Confident	86.9	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.309	C	S	.	.			trans	-87.9	141.8	167.9	0	0	0	0	0	111	S556 F557 S560	G551-S556 WeakPolarHBondContact CA-OG 3.37Å; G551-F557 WeakPolarHBondContact O-CA 3.34Å; G551-F557 WeakPolarHBondContact O-CB 2.9Å; G551-S560 PolarHBondContact N-OG 3.36Å
552	L	85.6	Confident	86.9	Confident	60 Å²	60	65.3 Å²	65.3	31%	0.314	32%	0.316	S	S	.	.	S	Bend	trans	-94.6	-18.4	179.7	-67.6	178.3	0	0	0	113.5	Y24 V520 L522 Y531	Y24-L552 HydrophobicContact CD1-CD2 3.51Å; Y24-L552 HydrophobicContact CE1-CD2 3.66Å; Y24-L552 HydrophobicContact CG-CD2 4.44Å; V520-L552 HydrophobicContact CB-CD2 4.29Å; V520-L552 HydrophobicContact CG1-CD1 4.38Å; V520-L552 HydrophobicContact CG1-CD2 4.1Å; V520-L552 HydrophobicContact CG1-CG 4.41Å; V520-L552 HydrophobicContact CG2-CD2 3.98Å; L522-L552 HydrophobicContact CD2-CD1 3.59Å; Y531-L552 HydrophobicContact CD2-CD1 3.84Å; Y531-L552 HydrophobicContact CD2-CG 3.86Å; Y531-L552 HydrophobicContact CE1-CD1 4.39Å; Y531-L552 HydrophobicContact CE2-CB 4.41Å; Y531-L552 HydrophobicContact CE2-CD1 3.69Å; Y531-L552 HydrophobicContact CE2-CG 3.98Å; Y531-L552 HydrophobicContact CG-CD1 4.3Å
553	E	81.3	Confident	86.9	Confident	145 Å²	145	66.2 Å²	66.2	68%	0.678	32%	0.32	S	S	*	.	S	Bend	trans	-88.3	150.1	173.8	-61.8	172.5	-177	0	0	109.8	E555 S556 F557	E553-E555 PolarHBondContact O-N 2.57Å; E553-S556 PolarHBondContact N-OG 3.28Å; E553-S556 PolarHBondContact O-N 3.04Å; E553-S556 VanDerWaalsContact O-N 3.1Å; E553-S556 PolarHBondContact O-OG 3.07Å; E553-F557 WeakPolarHBondContact O-CB 3.07Å; E553-F557 PolarHBondContact O-N 3.21Å
554	N	73.4	Confident	86.7	Confident	124 Å²	124	61 Å²	61	66%	0.663	29%	0.286	S	S	*	.	H	α-helix	trans	-48.5	-51.7	-175.4	-94.7	-7.2	0	0	0	113.5	F557 Y558	N554-F557 PolarHBondContact O-N 2.65Å; N554-Y558 WeakPolarHBondContact O-CD2 3.34Å; N554-Y558 PolarHBondContact O-N 3.48Å
555	E	75.3	Confident	86.6	Confident	131 Å²	131	61 Å²	61	61%	0.612	29%	0.286	S	S	*	.	H	α-helix	trans	-63.7	-43.9	-179.6	-73.9	-61.5	138.6	0	0	112.8	E553 R559	E553-E555 PolarHBondContact O-N 2.57Å; E555-R559 VanDerWaalsContact O-CG 3.3Å; E555-R559 WeakPolarHBondContact O-CG 3.39Å; E555-R559 PolarHBondContact O-N 3.16Å; E555-R559 VanDerWaalsContact O-N 3.11Å
556	S	79.5	Confident	86.4	Confident	25 Å²	25	60.7 Å²	60.7	18%	0.175	29%	0.289	C	S	.	.	H	α-helix	trans	-71	-33.6	180	62	0	0	0	0	111.9	G551 E553 S560	G551-S556 WeakPolarHBondContact CA-OG 3.37Å; E553-S556 PolarHBondContact N-OG 3.28Å; E553-S556 PolarHBondContact O-N 3.04Å; E553-S556 VanDerWaalsContact O-N 3.1Å; E553-S556 PolarHBondContact O-OG 3.07Å; S556-S560 WeakPolarHBondContact O-CB 3.19Å; S556-S560 PolarHBondContact O-N 3.18Å; S556-S560 VanDerWaalsContact O-N 3.07Å; S556-S560 PolarHBondContact O-OG 3.37Å
557	F	82.5	Confident	86.2	Confident	12 Å²	12	62.2 Å²	62.2	5%	0.053	30%	0.299	C	S	.	.	H	α-helix	trans	-61.1	-55.3	172.2	174	-118.3	0	0	0	110.7	M26 A30 L34 V550 G551 E553 N554 R559 S560 V561	M26-F557 HydrophobicContact CE-CD2 3.45Å; M26-F557 VanDerWaalsContact CE-CD2 3.45Å; M26-F557 HydrophobicContact CE-CE2 3.13Å; M26-F557 HydrophobicContact CE-CZ 3.98Å; M26-F557 HydrophobicContact SD-CE2 4.47Å; A30-F557 HydrophobicContact CB-CE1 4.14Å; A30-F557 HydrophobicContact CB-CZ 4Å; L34-F557 HydrophobicContact CB-CZ 4.44Å; V550-F557 HydrophobicContact CG1-CD2 4.3Å; G551-F557 WeakPolarHBondContact O-CA 3.34Å; G551-F557 WeakPolarHBondContact O-CB 2.9Å; E553-F557 WeakPolarHBondContact O-CB 3.07Å; E553-F557 PolarHBondContact O-N 3.21Å; N554-F557 PolarHBondContact O-N 2.65Å; F557-R559 VanDerWaalsContact C-N 3.26Å; F557-R559 PolarHBondContact O-N 2.98Å; F557-S560 WeakPolarHBondContact O-CA 3.47Å; F557-S560 WeakPolarHBondContact O-CB 3.45Å; F557-S560 PolarHBondContact O-N 2.9Å; F557-S560 PolarHBondContact O-OG 2.88Å; F557-V561 HydrophobicContact CE1-CG2 4.27Å; F557-V561 HydrophobicContact CE2-CG2 4.21Å; F557-V561 HydrophobicContact CZ-CG2 4.05Å; F557-V561 WeakPolarHBondContact O-CG2 3.41Å; F557-V561 PolarHBondContact O-N 2.62Å; F557-V561 VanDerWaalsContact O-N 3.13Å
558	Y	78.6	Confident	86.1	Confident	97 Å²	97	55.8 Å²	55.8	38%	0.38	27%	0.274	S	S	.	.	H	α-helix	trans	-60.9	-34	-179.5	-76.1	-64.4	0	0	0	113	N554 S560 V561	N554-Y558 WeakPolarHBondContact O-CD2 3.34Å; N554-Y558 PolarHBondContact O-N 3.48Å; Y558-S560 VanDerWaalsContact C-N 3.31Å; Y558-S560 PolarHBondContact O-N 2.99Å; Y558-V561 PolarHBondContact O-N 3.12Å
559	R	81.2	Confident	85.9	Confident	201 Å²	201	56.8 Å²	56.8	76%	0.758	28%	0.279	S	S	*	.	H	α-helix	trans	-68.1	-28	172.3	-71.9	177.1	-173.7	-159	1.4	113.4	E555 F557	E555-R559 VanDerWaalsContact O-CG 3.3Å; E555-R559 WeakPolarHBondContact O-CG 3.39Å; E555-R559 PolarHBondContact O-N 3.16Å; E555-R559 VanDerWaalsContact O-N 3.11Å; F557-R559 VanDerWaalsContact C-N 3.26Å; F557-R559 PolarHBondContact O-N 2.98Å
560	S	85.9	Confident	85.8	Confident	6 Å²	6	59.7 Å²	59.7	4%	0.042	29%	0.294	C	S	.	.	H	α-helix	trans	-80.9	-22.2	177.2	71.5	0	0	0	0	113.7	G551 S556 F557 Y558 R563 I564	G551-S560 PolarHBondContact N-OG 3.36Å; S556-S560 WeakPolarHBondContact O-CB 3.19Å; S556-S560 PolarHBondContact O-N 3.18Å; S556-S560 VanDerWaalsContact O-N 3.07Å; S556-S560 PolarHBondContact O-OG 3.37Å; F557-S560 WeakPolarHBondContact O-CA 3.47Å; F557-S560 WeakPolarHBondContact O-CB 3.45Å; F557-S560 PolarHBondContact O-N 2.9Å; F557-S560 PolarHBondContact O-OG 2.88Å; Y558-S560 VanDerWaalsContact C-N 3.31Å; Y558-S560 PolarHBondContact O-N 2.99Å; S560-R563 WeakPolarHBondContact O-CB 3.21Å; S560-R563 PolarHBondContact O-N 3.23Å; S560-R563 VanDerWaalsContact O-N 3.16Å; S560-I564 WeakPolarHBondContact O-CG1 3.32Å; S560-I564 PolarHBondContact O-N 3.39Å
561	V	86.7	Confident	85.6	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.024	30%	0.303	C	S	.	.	H	α-helix	trans	-52.9	-50.5	-177.3	169.6	0	0	0	0	113.9	L34 R37 F557 Y558 R563 I564 I565	L34-V561 HydrophobicContact CD1-CB 4.33Å; L34-V561 HydrophobicContact CD1-CG1 3.85Å; L34-V561 HydrophobicContact CD1-CG2 4.1Å; R37-V561 HydrophobicContact CB-CG1 4.38Å; F557-V561 HydrophobicContact CE1-CG2 4.27Å; F557-V561 HydrophobicContact CE2-CG2 4.21Å; F557-V561 HydrophobicContact CZ-CG2 4.05Å; F557-V561 WeakPolarHBondContact O-CG2 3.41Å; F557-V561 PolarHBondContact O-N 2.62Å; F557-V561 VanDerWaalsContact O-N 3.13Å; Y558-V561 PolarHBondContact O-N 3.12Å; V561-R563 VanDerWaalsContact C-N 3.25Å; V561-R563 PolarHBondContact O-N 3.5Å; V561-I564 PolarHBondContact O-N 3.21Å; V561-I564 VanDerWaalsContact O-N 3.14Å; V561-I565 HydrophobicContact CG1-CD1 3.58Å; V561-I565 HydrophobicContact CG1-CG1 4.32Å; V561-I565 WeakPolarHBondContact O-CG1 3.44Å; V561-I565 PolarHBondContact O-N 3.47Å
562	P	88.1	Confident	85.6	Confident	87 Å²	87	61.5 Å²	61.5	57%	0.565	31%	0.305	S	S	*	.	H	α-helix	trans	-59	-38.4	-179.3	-24.6	34.9	0	0	0	112.6	I565 A566	P562-I565 PolarHBondContact O-N 3.36Å; P562-A566 VanDerWaalsContact O-CB 3.31Å; P562-A566 WeakPolarHBondContact O-CB 3.39Å; P562-A566 PolarHBondContact O-N 3.43Å
563	R	89.4	Confident	85.6	Confident	129 Å²	129	64.8 Å²	64.8	49%	0.487	32%	0.317	S	S	.	.	H	α-helix	trans	-66.7	-43.8	177.2	-176.8	-179.4	179.8	169.4	0.9	111.5	S560 V561 I565 A566 V567	S560-R563 WeakPolarHBondContact O-CB 3.21Å; S560-R563 PolarHBondContact O-N 3.23Å; S560-R563 VanDerWaalsContact O-N 3.16Å; V561-R563 VanDerWaalsContact C-N 3.25Å; V561-R563 PolarHBondContact O-N 3.5Å; R563-I565 VanDerWaalsContact C-N 3.33Å; R563-I565 PolarHBondContact O-N 3.01Å; R563-A566 PolarHBondContact O-N 2.88Å; R563-V567 WeakPolarHBondContact O-CG2 3.41Å; R563-V567 PolarHBondContact O-N 3.48Å
564	I	89.8	Confident	85.6	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.3	-45.3	177.9	-63.9	163.2	0	0	0	110.6	L34 F515 I535 F546 V550 S560 V561 V567 A568	L34-I564 HydrophobicContact CD1-CB 4.31Å; L34-I564 HydrophobicContact CD1-CD1 4.48Å; L34-I564 HydrophobicContact CD1-CG2 4.04Å; L34-I564 HydrophobicContact CD2-CG2 3.98Å; F515-I564 HydrophobicContact CE1-CG2 3.61Å; F515-I564 HydrophobicContact CZ-CG2 4.08Å; I535-I564 HydrophobicContact CD1-CB 4.48Å; I535-I564 HydrophobicContact CD1-CG1 4.15Å; I535-I564 HydrophobicContact CD1-CG2 3.62Å; F546-I564 HydrophobicContact CE2-CG2 4.25Å; F546-I564 HydrophobicContact CZ-CG2 4.41Å; V550-I564 HydrophobicContact CG2-CD1 3.86Å; V550-I564 HydrophobicContact CG2-CG1 4.35Å; S560-I564 WeakPolarHBondContact O-CG1 3.32Å; S560-I564 PolarHBondContact O-N 3.39Å; V561-I564 PolarHBondContact O-N 3.21Å; V561-I564 VanDerWaalsContact O-N 3.14Å; I564-V567 PolarHBondContact O-N 3.23Å; I564-A568 WeakPolarHBondContact O-CB 3.49Å; I564-A568 PolarHBondContact O-N 2.9Å
565	I	90.8	Very high	85.3	Confident	9 Å²	9	58.8 Å²	58.8	5%	0.046	30%	0.297	C	S	.	.	H	α-helix	trans	-65.8	-42.3	178.2	-64.3	167.5	0	0	0	111	L34 R37 V41 M513 V561 P562 R563 V567 A568 L569	L34-I565 HydrophobicContact CD1-CG1 4.24Å; R37-I565 HydrophobicContact CB-CD1 4.06Å; V41-I565 HydrophobicContact CB-CG2 4.05Å; V41-I565 HydrophobicContact CG1-CG2 3.97Å; V41-I565 HydrophobicContact CG2-CG2 4.27Å; M513-I565 HydrophobicContact CE-CG2 4.26Å; M513-I565 HydrophobicContact SD-CG2 4.41Å; V561-I565 HydrophobicContact CG1-CD1 3.58Å; V561-I565 HydrophobicContact CG1-CG1 4.32Å; V561-I565 WeakPolarHBondContact O-CG1 3.44Å; V561-I565 PolarHBondContact O-N 3.47Å; P562-I565 PolarHBondContact O-N 3.36Å; R563-I565 VanDerWaalsContact C-N 3.33Å; R563-I565 PolarHBondContact O-N 3.01Å; I565-V567 PolarHBondContact O-N 3.48Å; I565-A568 WeakPolarHBondContact O-CB 3.31Å; I565-A568 PolarHBondContact O-N 3.36Å; I565-A568 VanDerWaalsContact O-N 3.17Å; I565-L569 HydrophobicContact CG2-CD1 4.22Å; I565-L569 WeakPolarHBondContact O-CG 3.19Å; I565-L569 PolarHBondContact O-N 3.27Å
566	A	90.1	Very high	84.3	Confident	55 Å²	55	60.5 Å²	60.5	46%	0.455	32%	0.319	S	S	.	.	H	α-helix	trans	-60.1	-44.7	177.3	0	0	0	0	0	112.1	P562 R563 A568 L569 D570	P562-A566 VanDerWaalsContact O-CB 3.31Å; P562-A566 WeakPolarHBondContact O-CB 3.39Å; P562-A566 PolarHBondContact O-N 3.43Å; R563-A566 PolarHBondContact O-N 2.88Å; A566-A568 VanDerWaalsContact C-N 3.32Å; A566-A568 PolarHBondContact O-N 3.16Å; A566-L569 PolarHBondContact O-N 2.83Å; A566-D570 WeakPolarHBondContact O-CB 3.48Å; A566-D570 PolarHBondContact O-N 3.3Å
567	V	91.7	Very high	84.5	Confident	42 Å²	42	62.3 Å²	62.3	26%	0.255	33%	0.327	S	S	.	.	H	α-helix	trans	-65.2	-37.3	175.7	178.6	0	0	0	0	111	F546 R563 I564 I565 L569 D570 T571	F546-V567 HydrophobicContact CB-CG1 4.16Å; F546-V567 HydrophobicContact CD2-CB 4.1Å; F546-V567 HydrophobicContact CD2-CG1 3.43Å; F546-V567 VanDerWaalsContact CD2-CG1 3.43Å; F546-V567 HydrophobicContact CE2-CB 4.2Å; F546-V567 HydrophobicContact CE2-CG1 4.04Å; F546-V567 HydrophobicContact CG-CG1 4Å; R563-V567 WeakPolarHBondContact O-CG2 3.41Å; R563-V567 PolarHBondContact O-N 3.48Å; I564-V567 PolarHBondContact O-N 3.23Å; I565-V567 PolarHBondContact O-N 3.48Å; V567-L569 PolarHBondContact O-N 2.93Å; V567-D570 PolarHBondContact O-N 3.05Å; V567-T571 WeakPolarHBondContact O-CB 3.44Å; V567-T571 PolarHBondContact O-N 2.9Å; V567-T571 PolarHBondContact O-OG1 3.28Å
568	A	91.6	Very high	84.6	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61.5	-43.6	175.9	0	0	0	0	0	112.2	F515 V539 F546 I564 I565 A566 L572	F515-A568 HydrophobicContact CZ-CB 4.38Å; V539-A568 HydrophobicContact CG2-CB 4.33Å; F546-A568 HydrophobicContact CE1-CB 3.75Å; F546-A568 HydrophobicContact CE2-CB 4.38Å; F546-A568 HydrophobicContact CZ-CB 3.53Å; I564-A568 WeakPolarHBondContact O-CB 3.49Å; I564-A568 PolarHBondContact O-N 2.9Å; I565-A568 WeakPolarHBondContact O-CB 3.31Å; I565-A568 PolarHBondContact O-N 3.36Å; I565-A568 VanDerWaalsContact O-N 3.17Å; A566-A568 VanDerWaalsContact C-N 3.32Å; A566-A568 PolarHBondContact O-N 3.16Å; A568-L572 WeakPolarHBondContact O-CB 3.2Å; A568-L572 PolarHBondContact O-N 3.22Å
569	L	90.4	Very high	85	Confident	31 Å²	31	63.2 Å²	63.2	16%	0.162	34%	0.339	C	S	.	.	H	α-helix	trans	-67.4	-41.5	176.4	-71.9	170.9	0	0	0	112.4	V41 L42 W502 M513 I565 A566 V567 T571 L572 K573	V41-L569 HydrophobicContact CG1-CD1 3.87Å; L42-L569 HydrophobicContact CD1-CD2 3.91Å; W502-L569 HydrophobicContact CH2-CD2 4.17Å; W502-L569 HydrophobicContact CZ3-CD2 4.12Å; M513-L569 HydrophobicContact CE-CD1 4.41Å; M513-L569 HydrophobicContact CE-CD2 3.34Å; M513-L569 HydrophobicContact CE-CG 3.73Å; I565-L569 HydrophobicContact CG2-CD1 4.22Å; I565-L569 WeakPolarHBondContact O-CG 3.19Å; I565-L569 PolarHBondContact O-N 3.27Å; A566-L569 PolarHBondContact O-N 2.83Å; V567-L569 PolarHBondContact O-N 2.93Å; L569-T571 VanDerWaalsContact C-N 3.33Å; L569-L572 WeakPolarHBondContact O-CB 3.48Å; L569-L572 PolarHBondContact O-N 2.87Å; L569-K573 WeakPolarHBondContact O-CB 3.4Å; L569-K573 PolarHBondContact O-N 3.05Å
570	D	89.6	Confident	85.2	Confident	96 Å²	96	55.1 Å²	55.1	51%	0.513	31%	0.314	S	S	.	.	H	α-helix	trans	-64.5	-40.8	176.9	-169.5	58.3	0	0	0	111.4	A566 V567 L572 K573 T574	A566-D570 WeakPolarHBondContact O-CB 3.48Å; A566-D570 PolarHBondContact O-N 3.3Å; V567-D570 PolarHBondContact O-N 3.05Å; D570-L572 VanDerWaalsContact C-N 3.33Å; D570-L572 PolarHBondContact O-N 3.49Å; D570-K573 PolarHBondContact O-N 3.31Å; D570-T574 WeakPolarHBondContact O-CB 3.5Å; D570-T574 WeakPolarHBondContact O-CG2 3.19Å; D570-T574 PolarHBondContact O-N 3.16Å; D570-T574 PolarHBondContact O-OG1 3.35Å
571	T	88.6	Confident	85.2	Confident	29 Å²	29	58.1 Å²	58.1	18%	0.178	33%	0.331	C	S	.	.	H	α-helix	trans	-63.9	-39	173.3	-49.8	0	0	0	0	111.1	L544 F546 V567 L569 K573 T574 S575	L544-T571 HydrophobicContact CB-CG2 4.38Å; L544-T571 HydrophobicContact CD1-CG2 4.4Å; L544-T571 HydrophobicContact CD2-CG2 4.18Å; F546-T571 HydrophobicContact CB-CG2 4.44Å; V567-T571 WeakPolarHBondContact O-CB 3.44Å; V567-T571 PolarHBondContact O-N 2.9Å; V567-T571 PolarHBondContact O-OG1 3.28Å; L569-T571 VanDerWaalsContact C-N 3.33Å; T571-K573 VanDerWaalsContact C-N 3.35Å; T571-T574 PolarHBondContact O-OG1 3.16Å; T571-S575 VanDerWaalsContact O-CB 3.25Å; T571-S575 WeakPolarHBondContact O-CB 3.49Å; T571-S575 PolarHBondContact O-N 3.38Å
572	L	88.3	Confident	85.1	Confident	9 Å²	9	61.7 Å²	61.7	5%	0.047	35%	0.351	C	S	.	.	H	α-helix	trans	-63.8	-40.6	174.6	-178.4	71.5	0	0	0	111.8	L42 W502 I506 V539 A540 R542 L544 A568 L569 D570	L42-L572 HydrophobicContact CD1-CD2 4.46Å; W502-L572 HydrophobicContact CE3-CD2 4.05Å; W502-L572 HydrophobicContact CZ3-CD2 3.95Å; I506-L572 HydrophobicContact CD1-CD2 4.18Å; V539-L572 HydrophobicContact CG1-CB 4.43Å; V539-L572 HydrophobicContact CG1-CD1 4.37Å; V539-L572 HydrophobicContact CG1-CD2 3.79Å; V539-L572 HydrophobicContact CG1-CG 4.42Å; A540-L572 HydrophobicContact CB-CD1 4Å; A540-L572 HydrophobicContact CB-CD2 3.95Å; R542-L572 HydrophobicContact CB-CD1 4.28Å; R542-L572 HydrophobicContact CG-CD1 4.38Å; L544-L572 HydrophobicContact CD1-CB 3.99Å; L544-L572 HydrophobicContact CD1-CD1 4.34Å; A568-L572 WeakPolarHBondContact O-CB 3.2Å; A568-L572 PolarHBondContact O-N 3.22Å; L569-L572 WeakPolarHBondContact O-CB 3.48Å; L569-L572 PolarHBondContact O-N 2.87Å; D570-L572 VanDerWaalsContact C-N 3.33Å; D570-L572 PolarHBondContact O-N 3.49Å
573	K	85.7	Confident	84.8	Confident	128 Å²	128	59.9 Å²	59.9	56%	0.557	34%	0.336	S	S	*	.	H	α-helix	trans	-70.1	-32.5	-178.8	-171.9	179.6	179.2	-174.5	0	112.7	W502 L569 D570 T571	W502-K573 HydrophobicContact CB-CG 4.36Å; W502-K573 HydrophobicContact CD2-CG 4.5Å; W502-K573 HydrophobicContact CG-CG 4.1Å; L569-K573 WeakPolarHBondContact O-CB 3.4Å; L569-K573 PolarHBondContact O-N 3.05Å; D570-K573 PolarHBondContact O-N 3.31Å; T571-K573 VanDerWaalsContact C-N 3.35Å
574	T	81.2	Confident	84.5	Confident	97 Å²	97	54.6 Å²	54.6	60%	0.595	33%	0.325	S	S	*	.	H	α-helix	trans	-95.2	-17.8	-175.6	52.7	0	0	0	0	114	D570 T571	D570-T574 WeakPolarHBondContact O-CB 3.5Å; D570-T574 WeakPolarHBondContact O-CG2 3.19Å; D570-T574 PolarHBondContact O-N 3.16Å; D570-T574 PolarHBondContact O-OG1 3.35Å; T571-T574 PolarHBondContact O-OG1 3.16Å
575	S	66.4	Low	84.1	Confident	47 Å²	47	59.2 Å²	59.2	33%	0.329	35%	0.352	S	S	.	.			trans	-74.1	124.6	175.8	-174.5	0	0	0	0	110.6	R542 T571	R542-S575 PolarHBondContact NH1-O 3.42Å; T571-S575 VanDerWaalsContact O-CB 3.25Å; T571-S575 WeakPolarHBondContact O-CB 3.49Å; T571-S575 PolarHBondContact O-N 3.38Å
576	P	54.5	Low	83.4	Confident	167 Å²	167	63.7 Å²	63.7	100%	1.084	38%	0.38	S	S	*	.			trans	-56.4	0	178.3	21.5	-30.6	0	0	0	112.8	R542	R542-P576 PolarHBondContact NH1-O 2.97Å; R542-P576 PolarHBondContact NH1-OXT 2.93Å

Retrieved 576 of 576 residues in 978.5 ms (Link to these results)

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