A0A087XIJ6_POEFO Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A087XIJ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 609 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.7	Very low	74.3	Confident	214 Å²	214	69.1 Å²	69.1	100%	1.054	40%	0.398	S	S	*	.				0	136.5	0	-76.1	-150.1	-74.1	0	0	107.5
2	E	67.9	Low	73.1	Confident	155 Å²	155	64.8 Å²	64.8	72%	0.724	38%	0.375	S	S	*	.			trans	-67.1	134.9	175.9	-70.7	-179.8	-177.6	0	0	110.4	P4 N106	E2-P4 VanDerWaalsContact O-CD 3.25Å; E2-P4 WeakPolarHBondContact O-CD 3.4Å; E2-N106 WeakPolarHBondContact CB-ND2 2.93Å; E2-N106 HydrophobicContact CG-CB 4.15Å
3	C	79.6	Confident	72	Confident	11 Å²	11	67.5 Å²	67.5	7%	0.074	39%	0.393	C	S	.	.			trans	-72.4	114.6	175.8	177.7	0	0	0	0	110.1	H5 L6 C97 V104 N106	C3-H5 PolarHBondContact O-N 3.39Å; C3-L6 HydrophobicContact CB-CD1 4.4Å; C3-L6 HydrophobicContact CB-CG 4.13Å; C3-C97 VanDerWaalsContact SG-SG 3.7Å; C3-V104 HydrophobicContact CB-CB 4.24Å; C3-V104 HydrophobicContact CB-CG1 3.52Å; C3-V104 HydrophobicContact CB-CG2 3.72Å; C3-N106 PolarHBondContact N-ND2 3.29Å; C3-N106 PolarHBondContact N-OD1 3.02Å
4	P	80.3	Confident	70.9	Confident	90 Å²	90	65.4 Å²	65.4	58%	0.584	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-13.4	-178.9	31.5	-35.9	0	0	0	112.6	E2	E2-P4 VanDerWaalsContact O-CD 3.25Å; E2-P4 WeakPolarHBondContact O-CD 3.4Å
5	H	84.8	Confident	69.7	Low	30 Å²	30	70.7 Å²	70.7	14%	0.139	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-9.6	-174.9	-51.5	118.9	0	0	0	113.4	C3 S7 S8 N9 V86 C97 R99 C100	C3-H5 PolarHBondContact O-N 3.39Å; H5-S7 PolarHBondContact O-N 3.18Å; H5-S8 PolarHBondContact O-N 2.84Å; H5-S8 PolarHBondContact O-OG 3.1Å; H5-N9 VanDerWaalsContact O-CB 3.3Å; H5-N9 WeakPolarHBondContact O-CB 3.29Å; H5-N9 PolarHBondContact O-N 3.04Å; H5-N9 PolarHBondContact O-ND2 3.34Å; H5-V86 HydrophobicContact CB-CG2 4.48Å; H5-C97 PolarHBondContact ND1-SG 3.2Å; H5-C97 VanDerWaalsContact ND1-SG 3.39Å; H5-R99 WeakPolarHBondContact NE2-CD 3.18Å; H5-C100 PolarHBondContact CE1-SG 2.94Å; H5-C100 PolarHBondContact ND1-SG 3.43Å
6	L	82.4	Confident	69.2	Low	4 Å²	4	68.3 Å²	68.3	2%	0.021	40%	0.397	C	S	.	.	H	α-helix	trans	-59.5	-48.5	-177.9	-78.3	176	0	0	0	112.5	C3 S8 N9 V10 V86 V104 N106 T108 T113	C3-L6 HydrophobicContact CB-CD1 4.4Å; C3-L6 HydrophobicContact CB-CG 4.13Å; L6-S8 VanDerWaalsContact C-N 3.25Å; L6-S8 PolarHBondContact O-N 3.4Å; L6-N9 PolarHBondContact O-N 3.05Å; L6-V10 HydrophobicContact CD2-CG2 3.97Å; L6-V10 WeakPolarHBondContact O-CB 3.48Å; L6-V10 VanDerWaalsContact O-CG2 3.27Å; L6-V10 WeakPolarHBondContact O-CG2 3.42Å; L6-V10 PolarHBondContact O-N 2.78Å; L6-V86 HydrophobicContact CD2-CG1 4.11Å; L6-V104 HydrophobicContact CD1-CG1 3.63Å; L6-V104 HydrophobicContact CD2-CG1 3.88Å; L6-V104 HydrophobicContact CG-CG1 3.88Å; L6-N106 WeakPolarHBondContact CD1-ND2 3.41Å; L6-N106 VanDerWaalsContact CD1-O 3.22Å; L6-N106 WeakPolarHBondContact CD1-O 3.45Å; L6-T108 HydrophobicContact CB-CG2 4.03Å; L6-T113 HydrophobicContact CD2-CG2 3.89Å
7	S	77.6	Confident	68.6	Low	102 Å²	102	72.2 Å²	72.2	71%	0.713	43%	0.425	S	S	*	.	H	α-helix	trans	-65.3	-27.6	-174.3	51.8	0	0	0	0	113.7	H5	H5-S7 PolarHBondContact O-N 3.18Å
8	S	76.9	Confident	68.4	Low	70 Å²	70	78.9 Å²	78.9	49%	0.49	44%	0.442	S	S	.	.	H	α-helix	trans	-97	-9	-179.1	63.9	0	0	0	0	114	H5 L6	H5-S8 PolarHBondContact O-N 2.84Å; H5-S8 PolarHBondContact O-OG 3.1Å; L6-S8 VanDerWaalsContact C-N 3.25Å; L6-S8 PolarHBondContact O-N 3.4Å
9	N	76.4	Confident	68.8	Low	0 Å²	0	75.9 Å²	75.9	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-121.2	-7.8	-175.1	-67.2	-113.7	0	0	0	113.1	H5 L6 L42 T43 Y83 S85 V86	H5-N9 VanDerWaalsContact O-CB 3.3Å; H5-N9 WeakPolarHBondContact O-CB 3.29Å; H5-N9 PolarHBondContact O-N 3.04Å; H5-N9 PolarHBondContact O-ND2 3.34Å; L6-N9 PolarHBondContact O-N 3.05Å; N9-L42 CarbonylContact O-C 3.36Å; N9-L42 VanDerWaalsContact O-C 3.27Å; N9-L42 VanDerWaalsContact O-O 3.1Å; N9-T43 WeakPolarHBondContact O-CA 3.48Å; N9-T43 WeakPolarHBondContact O-CB 3.33Å; N9-T43 PolarHBondContact O-N 2.93Å; N9-T43 PolarHBondContact O-OG1 2.83Å; N9-Y83 WeakPolarHBondContact OD1-CB 3.1Å; N9-Y83 PolarHBondContact OD1-O 2.86Å; N9-S85 PolarHBondContact ND2-OG 2.96Å; N9-S85 WeakPolarHBondContact OD1-CB 3.23Å; N9-S85 PolarHBondContact OD1-N 3.1Å; N9-S85 PolarHBondContact OD1-OG 2.9Å; N9-V86 HydrophobicContact CB-CB 4.15Å; N9-V86 HydrophobicContact CB-CG2 3.71Å
10	V	76.4	Confident	69.3	Low	7 Å²	7	73.9 Å²	73.9	4%	0.042	41%	0.414	C	S	.	.			trans	-105.9	87.9	175.8	-175.3	0	0	0	0	108.9	L6 L42 T108 H112 T113	L6-V10 HydrophobicContact CD2-CG2 3.97Å; L6-V10 WeakPolarHBondContact O-CB 3.48Å; L6-V10 VanDerWaalsContact O-CG2 3.27Å; L6-V10 WeakPolarHBondContact O-CG2 3.42Å; L6-V10 PolarHBondContact O-N 2.78Å; V10-L42 HydrophobicContact CG2-CB 4.1Å; V10-L42 HydrophobicContact CG2-CD1 3.95Å; V10-T108 HydrophobicContact CB-CG2 4.15Å; V10-T108 HydrophobicContact CG1-CG2 4.45Å; V10-T108 HydrophobicContact CG2-CG2 4.4Å; V10-H112 HydrophobicContact CG1-CB 3.59Å; V10-T113 HydrophobicContact CG1-CG2 4.38Å; V10-T113 HydrophobicContact CG2-CG2 4.04Å
11	S	65.3	Low	69.6	Low	77 Å²	77	77.8 Å²	77.8	54%	0.538	43%	0.434	S	S	.	.			trans	-105.8	6.1	-175.4	43.4	0	0	0	0	113.7	L42 T43	S11-L42 PolarHBondContact N-O 3.37Å; S11-T43 PolarHBondContact OG-O 2.91Å
12	C	60.4	Low	70.8	Confident	17 Å²	17	69.9 Å²	69.9	12%	0.115	41%	0.407	C	S	.	.			trans	-88.8	128	-169	-62.6	0	0	0	0	113.9	L42 L45	C12-L42 PolarHBondContact SG-O 2.67Å; C12-L45 HydrophobicContact CB-CD2 4.05Å; C12-L45 WeakPolarHBondContact SG-CD2 3.13Å
13	T	58.4	Low	71.4	Confident	100 Å²	100	63.3 Å²	63.3	61%	0.613	38%	0.378	S	S	*	.			trans	-89.8	134.2	154.3	53.8	0	0	0	0	108.3	D15 S16	T13-D15 PolarHBondContact O-N 2.97Å; T13-D15 VanDerWaalsContact O-N 3.09Å; T13-S16 WeakPolarHBondContact O-CB 3.39Å; T13-S16 PolarHBondContact O-N 3.46Å; T13-S16 VanDerWaalsContact O-N 3.16Å
14	T	57	Low	71.5	Confident	38 Å²	38	62.8 Å²	62.8	23%	0.233	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-17.3	-178.7	45.3	0	0	0	0	113.7	S16 H119	T14-S16 VanDerWaalsContact C-N 3.31Å; T14-S16 PolarHBondContact O-N 2.73Å; T14-H119 HydrophobicContact CG2-CB 3.73Å
15	D	52.8	Low	71.4	Confident	145 Å²	145	61 Å²	61	78%	0.775	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	14.4	178.5	-54.7	-38.2	0	0	0	113.9	T13	T13-D15 PolarHBondContact O-N 2.97Å; T13-D15 VanDerWaalsContact O-N 3.09Å
16	S	61	Low	71.3	Confident	33 Å²	33	62.7 Å²	62.7	23%	0.231	38%	0.379	C	S	.	.			trans	-72.6	131.3	-179.4	-177.5	0	0	0	0	111.3	T13 T14 R18 F19	T13-S16 WeakPolarHBondContact O-CB 3.39Å; T13-S16 PolarHBondContact O-N 3.46Å; T13-S16 VanDerWaalsContact O-N 3.16Å; T14-S16 VanDerWaalsContact C-N 3.31Å; T14-S16 PolarHBondContact O-N 2.73Å; S16-R18 PolarHBondContact O-N 3.48Å; S16-R18 PolarHBondContact OG-N 3.17Å; S16-F19 WeakPolarHBondContact O-CB 3.38Å; S16-F19 PolarHBondContact O-N 3.09Å
17	P	58.8	Low	71.6	Confident	135 Å²	135	63.1 Å²	63.1	88%	0.877	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-2.9	175.9	28.2	-35.7	0	0	0	113.5
18	R	64.6	Low	72.2	Confident	192 Å²	192	60.6 Å²	60.6	73%	0.725	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-4.2	174.8	-62.4	-174.7	-173.4	-176.7	2.6	113.5	S16 L45	S16-R18 PolarHBondContact O-N 3.48Å; S16-R18 PolarHBondContact OG-N 3.17Å; R18-L45 HydrophobicContact CB-CD1 4.14Å
19	F	76.6	Confident	72.9	Confident	23 Å²	23	57.2 Å²	57.2	10%	0.101	34%	0.339	C	S	.	.	S	Bend	trans	-67.8	136.9	177.8	-149.3	-92.5	0	0	0	110.1	S16 W27 I40 L45 H119 L120 L123	S16-F19 WeakPolarHBondContact O-CB 3.38Å; S16-F19 PolarHBondContact O-N 3.09Å; F19-W27 HydrophobicContact CD1-CH2 4.26Å; F19-W27 HydrophobicContact CD1-CZ2 4.4Å; F19-W27 AromaticContact CE1-CH2 3.49Å; F19-W27 HydrophobicContact CE1-CH2 3.49Å; F19-W27 VanDerWaalsContact CE1-CH2 3.49Å; F19-W27 AromaticContact CE1-CZ2 3.96Å; F19-W27 HydrophobicContact CE1-CZ2 3.96Å; F19-W27 HydrophobicContact CZ-CH2 4.04Å; F19-I40 HydrophobicContact CE2-CD1 3.93Å; F19-I40 HydrophobicContact CZ-CD1 4.01Å; F19-L45 HydrophobicContact CB-CD1 4.43Å; F19-L45 HydrophobicContact CD2-CD1 3.92Å; F19-L45 HydrophobicContact CD2-CD2 3.76Å; F19-L45 HydrophobicContact CD2-CG 4.38Å; F19-L45 HydrophobicContact CE2-CD2 3.84Å; F19-H119 AromaticContact CD1-NE2 3.74Å; F19-H119 AromaticContact CE1-CD2 3.45Å; F19-H119 VanDerWaalsContact CE1-CD2 3.45Å; F19-H119 WeakPolarHBondContact CE1-CD2 3.46Å; F19-H119 AromaticContact CE1-NE2 3.64Å; F19-H119 AromaticContact CZ-CD2 3.53Å; F19-L120 HydrophobicContact CE1-CD2 4.06Å; F19-L120 HydrophobicContact CZ-CD2 3.75Å; F19-L120 HydrophobicContact CZ-CG 4.39Å; F19-L123 HydrophobicContact CD1-CD1 4.26Å; F19-L123 HydrophobicContact CE1-CD1 3.69Å
20	P	78.2	Confident	73.5	Confident	34 Å²	34	60.9 Å²	60.9	22%	0.221	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-64.4	139.1	-177.2	-18	29.2	0	0	0	112.2	W27 I40 V47	P20-W27 HydrophobicContact CB-CD2 4Å; P20-W27 HydrophobicContact CB-CG 4.44Å; P20-W27 HydrophobicContact CB-CH2 4.33Å; P20-W27 HydrophobicContact CB-CZ2 3.81Å; P20-W27 HydrophobicContact CG-CD2 4.4Å; P20-W27 HydrophobicContact CG-CE3 4.43Å; P20-W27 HydrophobicContact CG-CH2 4.22Å; P20-W27 HydrophobicContact CG-CZ2 4.2Å; P20-W27 HydrophobicContact CG-CZ3 4.35Å; P20-W27 WeakPolarHBondContact O-CZ2 3.16Å; P20-I40 HydrophobicContact CG-CD1 4.19Å; P20-V47 HydrophobicContact CB-CG2 4.45Å; P20-V47 HydrophobicContact CG-CG2 3.69Å
21	N	75.3	Confident	74.2	Confident	156 Å²	156	64.7 Å²	64.7	83%	0.834	38%	0.381	S	S	*	.	S	Bend	trans	-77.4	152.9	176.1	-68.9	-23.7	0	0	0	111.4	W27	N21-W27 PolarHBondContact O-NE1 3.12Å
22	G	76.8	Confident	75.4	Confident	49 Å²	49	63.4 Å²	63.4	51%	0.505	37%	0.372	S	S	.	.	S	Bend	trans	86.7	-172.4	179.5	0	0	0	0	0	113	W27	G22-W27 PolarHBondContact O-NE1 3.2Å
23	T	80.6	Confident	76.8	Confident	17 Å²	17	71.1 Å²	71.1	10%	0.104	40%	0.398	C	S	.	.			trans	-84.7	147.9	-177.9	59.4	0	0	0	0	112.4	S25 S26 W27 L127	T23-S25 PolarHBondContact O-N 3.11Å; T23-S25 VanDerWaalsContact O-N 3.13Å; T23-S25 PolarHBondContact OG1-OG 3.04Å; T23-S25 VanDerWaalsContact OG1-OG 3.14Å; T23-S26 PolarHBondContact N-OG 3.15Å; T23-S26 WeakPolarHBondContact O-CA 3.31Å; T23-S26 WeakPolarHBondContact O-CB 3.33Å; T23-S26 PolarHBondContact O-N 2.66Å; T23-S26 PolarHBondContact O-OG 3.23Å; T23-S26 PolarHBondContact OG1-OG 2.83Å; T23-W27 PolarHBondContact O-N 2.85Å; T23-W27 PolarHBondContact O-NE1 2.77Å; T23-L127 HydrophobicContact CG2-CD1 3.33Å; T23-L127 HydrophobicContact CG2-CD2 4.32Å; T23-L127 HydrophobicContact CG2-CG 3.56Å
24	P	81.5	Confident	78.1	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-47.6	-40	174.7	-29.4	34.7	0	0	0	114.1	S26 W27 C90 L120 L123 E124	P24-S26 VanDerWaalsContact C-N 3.31Å; P24-S26 PolarHBondContact O-N 2.81Å; P24-W27 HydrophobicContact CB-CE3 4.39Å; P24-W27 HydrophobicContact CB-CZ3 4.35Å; P24-W27 HydrophobicContact CG-CH2 4.25Å; P24-W27 HydrophobicContact CG-CZ2 4.38Å; P24-W27 PolarHBondContact O-N 2.89Å; P24-C90 HydrophobicContact CB-CB 4.02Å; P24-C90 WeakPolarHBondContact CB-O 3.12Å; P24-L120 HydrophobicContact CB-CD2 4.47Å; P24-L120 HydrophobicContact CG-CB 4.29Å; P24-L120 HydrophobicContact CG-CD2 3.89Å; P24-L123 HydrophobicContact CG-CB 4.2Å; P24-E124 WeakPolarHBondContact CD-OE2 3.39Å
25	S	77.8	Confident	79.4	Confident	52 Å²	52	70.4 Å²	70.4	36%	0.364	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-66.5	-23.9	176.1	47	0	0	0	0	115.2	T23 E124	T23-S25 PolarHBondContact O-N 3.11Å; T23-S25 VanDerWaalsContact O-N 3.13Å; T23-S25 PolarHBondContact OG1-OG 3.04Å; T23-S25 VanDerWaalsContact OG1-OG 3.14Å; S25-E124 VanDerWaalsContact CB-OE1 3.29Å; S25-E124 WeakPolarHBondContact CB-OE1 3.41Å; S25-E124 PolarHBondContact N-OE2 3.33Å; S25-E124 PolarHBondContact OG-OE1 2.87Å; S25-E124 PolarHBondContact OG-OE2 3.31Å
26	S	82.6	Confident	80.8	Confident	65 Å²	65	70.3 Å²	70.3	46%	0.455	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-88.8	-9.6	177.5	72.2	0	0	0	0	113.5	T23 P24	T23-S26 PolarHBondContact N-OG 3.15Å; T23-S26 WeakPolarHBondContact O-CA 3.31Å; T23-S26 WeakPolarHBondContact O-CB 3.33Å; T23-S26 PolarHBondContact O-N 2.66Å; T23-S26 PolarHBondContact O-OG 3.23Å; T23-S26 PolarHBondContact OG1-OG 2.83Å; P24-S26 VanDerWaalsContact C-N 3.31Å; P24-S26 PolarHBondContact O-N 2.81Å
27	W	88.9	Confident	81.9	Confident	13 Å²	13	70.7 Å²	70.7	5%	0.049	39%	0.387	C	S	.	.			trans	-73.9	135.6	-175.5	-63	-14.9	0	0	0	112.1	F19 P20 N21 G22 T23 P24 P38 I40 V47 C90 L120 L123	F19-W27 HydrophobicContact CD1-CH2 4.26Å; F19-W27 HydrophobicContact CD1-CZ2 4.4Å; F19-W27 AromaticContact CE1-CH2 3.49Å; F19-W27 HydrophobicContact CE1-CH2 3.49Å; F19-W27 VanDerWaalsContact CE1-CH2 3.49Å; F19-W27 AromaticContact CE1-CZ2 3.96Å; F19-W27 HydrophobicContact CE1-CZ2 3.96Å; F19-W27 HydrophobicContact CZ-CH2 4.04Å; P20-W27 HydrophobicContact CB-CD2 4Å; P20-W27 HydrophobicContact CB-CG 4.44Å; P20-W27 HydrophobicContact CB-CH2 4.33Å; P20-W27 HydrophobicContact CB-CZ2 3.81Å; P20-W27 HydrophobicContact CG-CD2 4.4Å; P20-W27 HydrophobicContact CG-CE3 4.43Å; P20-W27 HydrophobicContact CG-CH2 4.22Å; P20-W27 HydrophobicContact CG-CZ2 4.2Å; P20-W27 HydrophobicContact CG-CZ3 4.35Å; P20-W27 WeakPolarHBondContact O-CZ2 3.16Å; N21-W27 PolarHBondContact O-NE1 3.12Å; G22-W27 PolarHBondContact O-NE1 3.2Å; T23-W27 PolarHBondContact O-N 2.85Å; T23-W27 PolarHBondContact O-NE1 2.77Å; P24-W27 HydrophobicContact CB-CE3 4.39Å; P24-W27 HydrophobicContact CB-CZ3 4.35Å; P24-W27 HydrophobicContact CG-CH2 4.25Å; P24-W27 HydrophobicContact CG-CZ2 4.38Å; P24-W27 PolarHBondContact O-N 2.89Å; W27-P38 HydrophobicContact CB-CB 4.39Å; W27-I40 HydrophobicContact CH2-CD1 4.47Å; W27-I40 HydrophobicContact CZ3-CD1 4.15Å; W27-V47 HydrophobicContact CB-CG1 4.17Å; W27-V47 HydrophobicContact CD2-CG2 4.29Å; W27-V47 HydrophobicContact CE3-CG2 3.75Å; W27-V47 HydrophobicContact CZ3-CG2 4.33Å; W27-C90 HydrophobicContact CE3-CB 4.26Å; W27-C90 HydrophobicContact CZ3-CB 4.36Å; W27-L120 HydrophobicContact CH2-CD2 3.33Å; W27-L120 HydrophobicContact CZ2-CD2 4.47Å; W27-L120 HydrophobicContact CZ3-CD2 3.55Å; W27-L123 HydrophobicContact CH2-CD1 4.45Å; W27-L123 HydrophobicContact CZ2-CD1 4.17Å
28	C	89.8	Confident	83.4	Confident	49 Å²	49	64.3 Å²	64.3	33%	0.331	35%	0.346	S	S	.	.			trans	-108	148.8	178.7	-65.3	0	0	0	0	110.9	N30 R33 S34	C28-N30 PolarHBondContact O-N 3.07Å; C28-R33 WeakPolarHBondContact CB-O 3.3Å; C28-R33 PolarHBondContact SG-O 3.07Å; C28-R33 VanDerWaalsContact SG-O 3.41Å; C28-S34 WeakPolarHBondContact CA-O 3.47Å
29	C	90.6	Very high	84.7	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.314	C	S	.	.			trans	-54.9	131.2	170.6	175.8	0	0	0	0	111	V31 R33 S34 C49	C29-V31 PolarHBondContact O-N 3.24Å; C29-V31 PolarHBondContact SG-N 3.35Å; C29-R33 WeakPolarHBondContact O-CA 3.21Å; C29-R33 PolarHBondContact O-N 2.81Å; C29-S34 PolarHBondContact N-O 3.06Å; C29-C49 HydrophobicContact CB-CB 3.85Å; C29-C49 PolarHBondContact SG-N 3.32Å; C29-C49 VanDerWaalsContact SG-SG 3.6Å
30	N	90.3	Very high	85.4	Confident	77 Å²	77	54.8 Å²	54.8	41%	0.412	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-16.5	177.4	-78.5	2.6	0	0	0	114.2	C28 V47	C28-N30 PolarHBondContact O-N 3.07Å; N30-V47 PolarHBondContact N-O 3.34Å
31	V	90.6	Very high	86.1	Confident	87 Å²	87	53.4 Å²	53.4	53%	0.527	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-62.6	-178.1	-173.3	0	0	0	0	111.3	C29 H56	C29-V31 PolarHBondContact O-N 3.24Å; C29-V31 PolarHBondContact SG-N 3.35Å; V31-H56 HydrophobicContact CB-CB 4.44Å; V31-H56 WeakPolarHBondContact CG1-NE2 3.17Å; V31-H56 HydrophobicContact CG2-CB 4.29Å
32	C	90.1	Very high	86.7	Confident	50 Å²	50	46 Å²	46	34%	0.338	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	1.7	-175.4	63	0	0	0	0	115.1	S34	C32-S34 PolarHBondContact O-N 2.98Å
33	R	90.5	Very high	87.3	Confident	178 Å²	178	44.4 Å²	44.4	67%	0.672	24%	0.241	S	C	*	.			trans	56.9	12.1	-177.5	-55.8	-61.1	-174.6	-178	0.5	115.4	C28 C29	C28-R33 WeakPolarHBondContact CB-O 3.3Å; C28-R33 PolarHBondContact SG-O 3.07Å; C28-R33 VanDerWaalsContact SG-O 3.41Å; C29-R33 WeakPolarHBondContact O-CA 3.21Å; C29-R33 PolarHBondContact O-N 2.81Å
34	S	86.5	Confident	87.6	Confident	26 Å²	26	44.9 Å²	44.9	18%	0.182	24%	0.244	C	C	.	.			trans	-71.3	134.6	172.7	-172.1	0	0	0	0	110.7	C28 C29 C32 K36	C28-S34 WeakPolarHBondContact CA-O 3.47Å; C29-S34 PolarHBondContact N-O 3.06Å; C32-S34 PolarHBondContact O-N 2.98Å; S34-K36 VanDerWaalsContact C-N 3.29Å; S34-K36 WeakPolarHBondContact OG-CB 3.35Å; S34-K36 PolarHBondContact OG-N 2.61Å
35	N	84.1	Confident	87.9	Confident	97 Å²	97	45.3 Å²	45.3	52%	0.519	25%	0.247	S	C	.	.			trans	-87.8	4	169.1	64.8	-11.2	0	0	0	112.6	S37	N35-S37 PolarHBondContact O-N 3.23Å
36	K	81.3	Confident	88.5	Confident	144 Å²	144	46.2 Å²	46.2	63%	0.626	25%	0.246	S	C	*	.	S	Bend	trans	-79.2	117.7	179.3	-63.2	-174.8	178.9	-176.4	0	109.6	S34 V53	S34-K36 VanDerWaalsContact C-N 3.29Å; S34-K36 WeakPolarHBondContact OG-CB 3.35Å; S34-K36 PolarHBondContact OG-N 2.61Å; K36-V53 HydrophobicContact CB-CG1 3.97Å
37	S	84.1	Confident	88.9	Confident	40 Å²	40	43.3 Å²	43.3	28%	0.28	23%	0.226	S	C	.	.	S	Bend	trans	50.1	74.3	-178.1	-170.6	0	0	0	0	112.4	N35 W39 C49 G50 D89	N35-S37 PolarHBondContact O-N 3.23Å; S37-W39 VanDerWaalsContact O-CD1 3.27Å; S37-W39 PolarHBondContact OG-NE1 2.94Å; S37-C49 CarbonylContact O-C 3.56Å; S37-C49 WeakPolarHBondContact O-CA 3.38Å; S37-G50 PolarHBondContact O-N 3.15Å; S37-D89 PolarHBondContact OG-OD2 3.46Å
38	P	90	Very high	89.1	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.013	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	133	173.6	23.5	-20.3	0	0	0	110.6	W27 V47 C90	W27-P38 HydrophobicContact CB-CB 4.39Å; P38-V47 HydrophobicContact CB-CG1 3.7Å; P38-C90 HydrophobicContact CB-CB 4.23Å; P38-C90 HydrophobicContact CG-CB 4.02Å; P38-C90 VanDerWaalsContact O-CB 3.29Å; P38-C90 WeakPolarHBondContact O-CB 3.28Å; P38-C90 PolarHBondContact O-N 3.27Å; P38-C90 PolarHBondContact O-SG 3.3Å
39	W	91.8	Very high	89.1	Confident	15 Å²	15	41 Å²	41	6%	0.057	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126.4	177.7	-72.9	61.1	0	0	0	109.8	S37 V47 H48 G50 A57 C87 M88 D89 F96 F103	S37-W39 VanDerWaalsContact O-CD1 3.27Å; S37-W39 PolarHBondContact OG-NE1 2.94Å; W39-V47 CarbonylContact O-C 3.55Å; W39-V47 WeakPolarHBondContact O-CA 3.28Å; W39-H48 WeakPolarHBondContact CA-O 3.42Å; W39-H48 WeakPolarHBondContact CB-O 3.4Å; W39-H48 PolarHBondContact N-O 3.2Å; W39-H48 PolarHBondContact O-N 3.43Å; W39-G50 VanDerWaalsContact NE1-CA 3.34Å; W39-A57 HydrophobicContact CB-CB 4.28Å; W39-C87 HydrophobicContact CE3-CB 3.99Å; W39-M88 CarbonylContact C-O 3.52Å; W39-M88 VanDerWaalsContact CA-O 3.27Å; W39-M88 WeakPolarHBondContact CA-O 3.48Å; W39-D89 HydrophobicContact CD2-CB 3.89Å; W39-D89 HydrophobicContact CE3-CB 4.13Å; W39-D89 HydrophobicContact CG-CB 4.47Å; W39-D89 HydrophobicContact CH2-CB 4.05Å; W39-D89 HydrophobicContact CZ2-CB 3.77Å; W39-D89 HydrophobicContact CZ3-CB 4.19Å; W39-D89 PolarHBondContact NE1-OD2 3.2Å; W39-F96 HydrophobicContact CE3-CB 4.47Å; W39-F96 HydrophobicContact CH2-CB 3.83Å; W39-F96 HydrophobicContact CZ3-CB 3.41Å; W39-F96 VanDerWaalsContact CZ3-CB 3.41Å; W39-F103 HydrophobicContact CH2-CE1 4.04Å
40	I	92.1	Very high	88.8	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	132.1	177.5	-168.9	166.7	0	0	0	110.8	F19 P20 W27 L42 L45 V47 C87 M88 L120	F19-I40 HydrophobicContact CE2-CD1 3.93Å; F19-I40 HydrophobicContact CZ-CD1 4.01Å; P20-I40 HydrophobicContact CG-CD1 4.19Å; W27-I40 HydrophobicContact CH2-CD1 4.47Å; W27-I40 HydrophobicContact CZ3-CD1 4.15Å; I40-L42 HydrophobicContact CG2-CD2 4.37Å; I40-L45 HydrophobicContact CD1-CB 4.29Å; I40-L45 HydrophobicContact CD1-CD2 3.88Å; I40-L45 HydrophobicContact CG1-CD2 4.36Å; I40-V47 HydrophobicContact CB-CG2 4.36Å; I40-V47 HydrophobicContact CG1-CG2 4.36Å; I40-C87 CarbonylContact O-C 3.56Å; I40-C87 WeakPolarHBondContact O-CA 3.35Å; I40-C87 WeakPolarHBondContact O-CB 3.42Å; I40-M88 HydrophobicContact CG2-CB 4.05Å; I40-M88 PolarHBondContact N-O 2.91Å; I40-M88 PolarHBondContact O-N 3.06Å; I40-L120 HydrophobicContact CG2-CD1 4.45Å
41	C	91.9	Very high	88.3	Confident	4 Å²	4	40.2 Å²	40.2	3%	0.027	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	124.9	172.4	179.1	0	0	0	0	110.4	T43 C44 L45 M46	C41-T43 PolarHBondContact O-N 2.87Å; C41-C44 VanDerWaalsContact CB-SG 3.54Å; C41-L45 VanDerWaalsContact O-CA 3.28Å; C41-L45 WeakPolarHBondContact O-CA 3.38Å; C41-L45 PolarHBondContact O-N 3.2Å; C41-M46 PolarHBondContact N-O 3.11Å
42	L	89.7	Confident	87.8	Confident	0 Å²	0	45 Å²	45	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	0.3	-177.8	-60.5	-171	0	0	0	113.9	N9 V10 S11 C12 I40 V86 M88 V95 T113 V116	N9-L42 CarbonylContact O-C 3.36Å; N9-L42 VanDerWaalsContact O-C 3.27Å; N9-L42 VanDerWaalsContact O-O 3.1Å; V10-L42 HydrophobicContact CG2-CB 4.1Å; V10-L42 HydrophobicContact CG2-CD1 3.95Å; S11-L42 PolarHBondContact N-O 3.37Å; C12-L42 PolarHBondContact SG-O 2.67Å; I40-L42 HydrophobicContact CG2-CD2 4.37Å; L42-V86 HydrophobicContact CD1-CG1 3.77Å; L42-V86 HydrophobicContact CG-CG1 4.33Å; L42-V86 PolarHBondContact N-O 3.38Å; L42-M88 HydrophobicContact CD1-CB 4.46Å; L42-M88 HydrophobicContact CD1-CE 4.42Å; L42-M88 HydrophobicContact CD2-CB 3.88Å; L42-M88 HydrophobicContact CG-CB 4.32Å; L42-V95 HydrophobicContact CD1-CG1 4.21Å; L42-T113 HydrophobicContact CD1-CG2 4.13Å; L42-V116 HydrophobicContact CD2-CG1 3.96Å
43	T	88.1	Confident	87.4	Confident	17 Å²	17	44.3 Å²	44.3	10%	0.104	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-43.8	175.2	-41.9	0	0	0	0	111.8	N9 S11 C41 Y83 H84	N9-T43 WeakPolarHBondContact O-CA 3.48Å; N9-T43 WeakPolarHBondContact O-CB 3.33Å; N9-T43 PolarHBondContact O-N 2.93Å; N9-T43 PolarHBondContact O-OG1 2.83Å; S11-T43 PolarHBondContact OG-O 2.91Å; C41-T43 PolarHBondContact O-N 2.87Å; T43-Y83 PolarHBondContact OG1-O 2.8Å; T43-H84 VanDerWaalsContact CG2-CD2 3.47Å; T43-H84 WeakPolarHBondContact CG2-CD2 3.28Å
44	C	87.9	Confident	87.1	Confident	26 Å²	26	41.4 Å²	41.4	18%	0.176	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121	-4.7	-170.8	72	0	0	0	0	115.4	C41 M46 H84	C41-C44 VanDerWaalsContact CB-SG 3.54Å; C44-M46 PolarHBondContact O-N 2.87Å; C44-M46 VanDerWaalsContact SG-CE 3.6Å; C44-H84 VanDerWaalsContact CB-CE1 3.45Å; C44-H84 WeakPolarHBondContact CB-CE1 3.48Å
45	L	88.2	Confident	87.1	Confident	9 Å²	9	41 Å²	41	5%	0.047	20%	0.204	C	C	.	.			trans	65	9.5	179.8	-56.6	173.6	0	0	0	115.8	C12 R18 F19 I40 C41	C12-L45 HydrophobicContact CB-CD2 4.05Å; C12-L45 WeakPolarHBondContact SG-CD2 3.13Å; R18-L45 HydrophobicContact CB-CD1 4.14Å; F19-L45 HydrophobicContact CB-CD1 4.43Å; F19-L45 HydrophobicContact CD2-CD1 3.92Å; F19-L45 HydrophobicContact CD2-CD2 3.76Å; F19-L45 HydrophobicContact CD2-CG 4.38Å; F19-L45 HydrophobicContact CE2-CD2 3.84Å; I40-L45 HydrophobicContact CD1-CB 4.29Å; I40-L45 HydrophobicContact CD1-CD2 3.88Å; I40-L45 HydrophobicContact CG1-CD2 4.36Å; C41-L45 VanDerWaalsContact O-CA 3.28Å; C41-L45 WeakPolarHBondContact O-CA 3.38Å; C41-L45 PolarHBondContact O-N 3.2Å
46	M	89.4	Confident	87.5	Confident	72 Å²	72	37.9 Å²	37.9	36%	0.355	19%	0.186	S	C	.	.			trans	-73	141.1	173.2	-67.3	-166.1	-66.6	0	0	111.6	C41 C44 H60	C41-M46 PolarHBondContact N-O 3.11Å; C44-M46 PolarHBondContact O-N 2.87Å; C44-M46 VanDerWaalsContact SG-CE 3.6Å; M46-H60 WeakPolarHBondContact CE-CE1 3.32Å
47	V	91.9	Very high	87.9	Confident	4 Å²	4	31.2 Å²	31.2	2%	0.024	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	126.9	179.3	-177.1	0	0	0	0	110.5	P20 W27 N30 P38 W39 I40	P20-V47 HydrophobicContact CB-CG2 4.45Å; P20-V47 HydrophobicContact CG-CG2 3.69Å; W27-V47 HydrophobicContact CB-CG1 4.17Å; W27-V47 HydrophobicContact CD2-CG2 4.29Å; W27-V47 HydrophobicContact CE3-CG2 3.75Å; W27-V47 HydrophobicContact CZ3-CG2 4.33Å; N30-V47 PolarHBondContact N-O 3.34Å; P38-V47 HydrophobicContact CB-CG1 3.7Å; W39-V47 CarbonylContact O-C 3.55Å; W39-V47 WeakPolarHBondContact O-CA 3.28Å; I40-V47 HydrophobicContact CB-CG2 4.36Å; I40-V47 HydrophobicContact CG1-CG2 4.36Å
48	H	92.9	Very high	88.2	Confident	13 Å²	13	33.3 Å²	33.3	6%	0.06	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	156.9	176.3	-62.6	-78	0	0	0	110.4	W39 H56 A57 H60	W39-H48 WeakPolarHBondContact CA-O 3.42Å; W39-H48 WeakPolarHBondContact CB-O 3.4Å; W39-H48 PolarHBondContact N-O 3.2Å; W39-H48 PolarHBondContact O-N 3.43Å; H48-H56 HydrophobicContact CB-CB 4.06Å; H48-A57 HydrophobicContact CB-CB 3.86Å; H48-H60 AromaticContact CD2-CG 3.76Å; H48-H60 AromaticContact NE2-CD2 3.96Å; H48-H60 AromaticContact NE2-CG 3.41Å; H48-H60 AromaticContact NE2-ND1 3.49Å; H48-H60 PolarHBondContact NE2-ND1 3.18Å
49	C	89.8	Confident	88.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	147.3	172.4	55.2	0	0	0	0	110.6	C29 S37 V53 H56 A57	C29-C49 HydrophobicContact CB-CB 3.85Å; C29-C49 PolarHBondContact SG-N 3.32Å; C29-C49 VanDerWaalsContact SG-SG 3.6Å; S37-C49 CarbonylContact O-C 3.56Å; S37-C49 WeakPolarHBondContact O-CA 3.38Å; C49-V53 HydrophobicContact CB-CB 4.23Å; C49-V53 HydrophobicContact CB-CG1 4.04Å; C49-V53 WeakPolarHBondContact CB-O 3.39Å; C49-V53 PolarHBondContact SG-O 2.86Å; C49-H56 PolarHBondContact SG-ND1 3.39Å; C49-A57 WeakPolarHBondContact O-CB 3.29Å; C49-A57 PolarHBondContact O-N 3.42Å; C49-A57 VanDerWaalsContact O-N 3.08Å
50	G	82.8	Confident	88.2	Confident	1 Å²	1	38 Å²	38	1%	0.01	18%	0.183	C	C	.	.			trans	-59.3	167.2	-173	0	0	0	0	0	114.5	S37 W39 Y52 V53 G55	S37-G50 PolarHBondContact O-N 3.15Å; W39-G50 VanDerWaalsContact NE1-CA 3.34Å; G50-Y52 PolarHBondContact O-N 3.25Å; G50-Y52 VanDerWaalsContact O-N 3.12Å; G50-V53 CarbonylContact O-C 3.47Å; G50-V53 PolarHBondContact O-N 2.83Å; G50-G55 PolarHBondContact O-N 2.82Å
51	R	80.3	Confident	88.1	Confident	59 Å²	59	38.7 Å²	38.7	22%	0.223	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-35.3	-178.7	175.4	177.6	-84.1	-173.2	-12.1	113.2	Y98 D101	R51-Y98 HydrophobicContact CB-CE1 4.45Å; R51-Y98 VanDerWaalsContact NH2-CD1 3.32Å; R51-D101 IonicContact CZ-OD1 3.13Å; R51-D101 IonicContact NH1-OD1 2.67Å; R51-D101 PolarHBondContact NH1-OD1 2.75Å; R51-D101 IonicContact NH2-OD1 2.68Å; R51-D101 PolarHBondContact NH2-OD1 2.68Å
52	Y	80.1	Confident	87.9	Confident	188 Å²	188	43.1 Å²	43.1	74%	0.737	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-0.2	-178.4	-53.6	-70.6	0	0	0	113.4	G50	G50-Y52 PolarHBondContact O-N 3.25Å; G50-Y52 VanDerWaalsContact O-N 3.12Å
53	V	81.1	Confident	87.8	Confident	36 Å²	36	48.9 Å²	48.9	22%	0.218	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	93.7	176.8	-176.9	0	0	0	0	107.7	K36 C49 G50 G55	K36-V53 HydrophobicContact CB-CG1 3.97Å; C49-V53 HydrophobicContact CB-CB 4.23Å; C49-V53 HydrophobicContact CB-CG1 4.04Å; C49-V53 WeakPolarHBondContact CB-O 3.39Å; C49-V53 PolarHBondContact SG-O 2.86Å; G50-V53 CarbonylContact O-C 3.47Å; G50-V53 PolarHBondContact O-N 2.83Å; V53-G55 PolarHBondContact O-N 3.36Å
54	N	84.5	Confident	87.6	Confident	117 Å²	117	51.1 Å²	51.1	63%	0.626	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	-8.4	-176.7	-53.5	-54.5	0	0	0	116.8	H56	N54-H56 VanDerWaalsContact C-N 3.34Å; N54-H56 PolarHBondContact O-N 3.46Å
55	G	88.2	Confident	86.7	Confident	17 Å²	17	54.1 Å²	54.1	18%	0.175	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	14.7	168.3	0	0	0	0	0	116.5	G50 V53 A57 K58 K59	G50-G55 PolarHBondContact O-N 2.82Å; V53-G55 PolarHBondContact O-N 3.36Å; G55-A57 VanDerWaalsContact C-N 3.29Å; G55-A57 PolarHBondContact O-N 3.1Å; G55-K58 WeakPolarHBondContact O-CB 3.43Å; G55-K58 PolarHBondContact O-N 2.94Å; G55-K59 PolarHBondContact O-N 2.85Å
56	H	91.8	Very high	85.2	Confident	32 Å²	32	56 Å²	56	15%	0.148	28%	0.277	C	S	.	.	H	α-helix	trans	-63.4	-29.6	-174.2	-69.4	124.2	0	0	0	114.2	V31 H48 C49 N54 K58 K59 H60	V31-H56 HydrophobicContact CB-CB 4.44Å; V31-H56 WeakPolarHBondContact CG1-NE2 3.17Å; V31-H56 HydrophobicContact CG2-CB 4.29Å; H48-H56 HydrophobicContact CB-CB 4.06Å; C49-H56 PolarHBondContact SG-ND1 3.39Å; N54-H56 VanDerWaalsContact C-N 3.34Å; N54-H56 PolarHBondContact O-N 3.46Å; H56-K58 VanDerWaalsContact C-N 3.33Å; H56-K59 PolarHBondContact O-N 2.89Å; H56-H60 VanDerWaalsContact O-CB 3.31Å; H56-H60 WeakPolarHBondContact O-CB 3.04Å; H56-H60 PolarHBondContact O-N 2.78Å
57	A	89.5	Confident	83.1	Confident	4 Å²	4	56.9 Å²	56.9	3%	0.033	29%	0.288	C	S	.	.	H	α-helix	trans	-66.1	-35.7	173.7	0	0	0	0	0	112.2	W39 H48 C49 G55 F61 Y98	W39-A57 HydrophobicContact CB-CB 4.28Å; H48-A57 HydrophobicContact CB-CB 3.86Å; C49-A57 WeakPolarHBondContact O-CB 3.29Å; C49-A57 PolarHBondContact O-N 3.42Å; C49-A57 VanDerWaalsContact O-N 3.08Å; G55-A57 VanDerWaalsContact C-N 3.29Å; G55-A57 PolarHBondContact O-N 3.1Å; A57-F61 PolarHBondContact O-N 3.18Å; A57-Y98 HydrophobicContact CB-CE2 4.13Å; A57-Y98 WeakPolarHBondContact CB-OH 3.49Å; A57-Y98 WeakPolarHBondContact O-CE2 3.31Å
58	K	90.4	Very high	80.6	Confident	84 Å²	84	62.1 Å²	62.1	37%	0.365	33%	0.325	S	S	.	.	H	α-helix	trans	-69	-45.5	173.7	-174.2	-173.1	178.6	-163	0	110.7	G55 H56 H60 F61 E62 Y98	G55-K58 WeakPolarHBondContact O-CB 3.43Å; G55-K58 PolarHBondContact O-N 2.94Å; H56-K58 VanDerWaalsContact C-N 3.33Å; K58-H60 VanDerWaalsContact C-N 3.31Å; K58-H60 PolarHBondContact O-N 3.14Å; K58-F61 WeakPolarHBondContact O-CB 3.42Å; K58-F61 PolarHBondContact O-N 2.88Å; K58-F61 VanDerWaalsContact O-N 3.14Å; K58-E62 WeakPolarHBondContact CE-OE1 3.46Å; K58-E62 IonicContact NZ-OE1 3.73Å; K58-E62 WeakPolarHBondContact O-CG 3.43Å; K58-E62 PolarHBondContact O-N 3.39Å; K58-Y98 HydrophobicContact CB-CD1 4.42Å; K58-Y98 HydrophobicContact CB-CE1 4Å; K58-Y98 HydrophobicContact CG-CD1 4.38Å; K58-Y98 HydrophobicContact CG-CE1 4.39Å
59	K	89.9	Confident	77.9	Confident	105 Å²	105	68.6 Å²	68.6	46%	0.457	36%	0.358	S	S	.	.	H	α-helix	trans	-59.9	-42.2	176.8	-162.7	-171.3	-174	-157.5	0	111.8	G55 H56 F61 E62 E63	G55-K59 PolarHBondContact O-N 2.85Å; H56-K59 PolarHBondContact O-N 2.89Å; K59-F61 VanDerWaalsContact C-N 3.31Å; K59-F61 PolarHBondContact O-N 3.35Å; K59-E62 PolarHBondContact O-N 2.73Å; K59-E62 VanDerWaalsContact O-N 3.15Å; K59-E63 WeakPolarHBondContact CD-OE1 3.37Å; K59-E63 WeakPolarHBondContact CE-OE1 3.28Å; K59-E63 HydrophobicContact CG-CG 4.37Å; K59-E63 WeakPolarHBondContact CG-OE1 3.42Å; K59-E63 IonicContact NZ-OE1 3.36Å; K59-E63 PolarHBondContact NZ-OE1 2.77Å; K59-E63 WeakPolarHBondContact O-CB 3.27Å; K59-E63 WeakPolarHBondContact O-CG 3.39Å; K59-E63 PolarHBondContact O-N 2.87Å
60	H	91.2	Very high	75.1	Confident	11 Å²	11	73.9 Å²	73.9	5%	0.051	39%	0.394	C	S	.	.	H	α-helix	trans	-57	-43.6	174.6	175.9	63.8	0	0	0	112.1	M46 H48 H56 K58 N64 H84	M46-H60 WeakPolarHBondContact CE-CE1 3.32Å; H48-H60 AromaticContact CD2-CG 3.76Å; H48-H60 AromaticContact NE2-CD2 3.96Å; H48-H60 AromaticContact NE2-CG 3.41Å; H48-H60 AromaticContact NE2-ND1 3.49Å; H48-H60 PolarHBondContact NE2-ND1 3.18Å; H56-H60 VanDerWaalsContact O-CB 3.31Å; H56-H60 WeakPolarHBondContact O-CB 3.04Å; H56-H60 PolarHBondContact O-N 2.78Å; K58-H60 VanDerWaalsContact C-N 3.31Å; K58-H60 PolarHBondContact O-N 3.14Å; H60-N64 PolarHBondContact CE1-ND2 3.33Å; H60-N64 PolarHBondContact ND1-ND2 3.2Å; H60-N64 WeakPolarHBondContact O-CB 3.23Å; H60-N64 PolarHBondContact O-N 3.11Å; H60-N64 PolarHBondContact O-ND2 2.84Å; H60-H84 AromaticContact CE1-ND1 3.26Å; H60-H84 PolarHBondContact CE1-ND1 3Å; H60-H84 VanDerWaalsContact CE1-ND1 3.26Å; H60-H84 AromaticContact NE2-CE1 3.98Å; H60-H84 AromaticContact NE2-CG 3.65Å; H60-H84 AromaticContact NE2-ND1 2.9Å; H60-H84 PolarHBondContact NE2-ND1 3.37Å
61	F	90	Very high	73	Confident	14 Å²	14	82.3 Å²	82.3	6%	0.061	43%	0.433	C	S	.	.	H	α-helix	trans	-63.2	-47.9	173.4	162.8	-115.4	0	0	0	112	A57 K58 K59 E63 N64 Q65 H84 S85 Y98 R99	A57-F61 PolarHBondContact O-N 3.18Å; K58-F61 WeakPolarHBondContact O-CB 3.42Å; K58-F61 PolarHBondContact O-N 2.88Å; K58-F61 VanDerWaalsContact O-N 3.14Å; K59-F61 VanDerWaalsContact C-N 3.31Å; K59-F61 PolarHBondContact O-N 3.35Å; F61-E63 PolarHBondContact O-N 2.85Å; F61-N64 CarbonylContact O-C 3.56Å; F61-N64 PolarHBondContact O-N 2.87Å; F61-Q65 HydrophobicContact CD2-CG 4.02Å; F61-Q65 HydrophobicContact CE1-CG 4.48Å; F61-Q65 HydrophobicContact CE2-CG 3.63Å; F61-Q65 HydrophobicContact CZ-CG 3.92Å; F61-Q65 WeakPolarHBondContact O-CG 3.47Å; F61-Q65 PolarHBondContact O-N 2.88Å; F61-Q65 PolarHBondContact O-NE2 3.22Å; F61-H84 WeakPolarHBondContact CD2-O 3.45Å; F61-S85 VanDerWaalsContact CE2-CB 3.45Å; F61-Y98 HydrophobicContact CB-CD2 3.73Å; F61-Y98 HydrophobicContact CB-CE2 4.49Å; F61-Y98 HydrophobicContact CB-CG 4.13Å; F61-Y98 HydrophobicContact CD1-CD2 4.37Å; F61-Y98 AromaticContact CD1-CG 3.91Å; F61-Y98 HydrophobicContact CD1-CG 3.91Å; F61-Y98 WeakPolarHBondContact CE1-O 3.4Å; F61-Y98 HydrophobicContact CG-CD2 4.11Å; F61-Y98 HydrophobicContact CG-CG 4.1Å; F61-R99 HydrophobicContact CE2-CB 4.39Å; F61-R99 HydrophobicContact CZ-CB 4.03Å; F61-R99 HydrophobicContact CZ-CG 4.48Å
62	E	89.1	Confident	71	Confident	96 Å²	96	90.8 Å²	90.8	45%	0.449	47%	0.465	S	S	.	.	H	α-helix	trans	-58.1	-43	178.7	-69.7	169.1	168.5	0	0	113	K58 K59 N64 Q65	K58-E62 WeakPolarHBondContact CE-OE1 3.46Å; K58-E62 IonicContact NZ-OE1 3.73Å; K58-E62 WeakPolarHBondContact O-CG 3.43Å; K58-E62 PolarHBondContact O-N 3.39Å; K59-E62 PolarHBondContact O-N 2.73Å; K59-E62 VanDerWaalsContact O-N 3.15Å; E62-N64 VanDerWaalsContact C-N 3.29Å; E62-N64 PolarHBondContact O-N 2.88Å; E62-Q65 PolarHBondContact O-N 3.07Å
63	E	87.2	Confident	69.1	Low	122 Å²	122	92.1 Å²	92.1	57%	0.57	48%	0.475	S	S	*	.	H	α-helix	trans	-67.7	-28.4	178.5	-70.8	170.1	174.6	0	0	112.7	K59 F61	K59-E63 WeakPolarHBondContact CD-OE1 3.37Å; K59-E63 WeakPolarHBondContact CE-OE1 3.28Å; K59-E63 HydrophobicContact CG-CG 4.37Å; K59-E63 WeakPolarHBondContact CG-OE1 3.42Å; K59-E63 IonicContact NZ-OE1 3.36Å; K59-E63 PolarHBondContact NZ-OE1 2.77Å; K59-E63 WeakPolarHBondContact O-CB 3.27Å; K59-E63 WeakPolarHBondContact O-CG 3.39Å; K59-E63 PolarHBondContact O-N 2.87Å; F61-E63 PolarHBondContact O-N 2.85Å
64	N	82.5	Confident	67.2	Low	64 Å²	64	93.7 Å²	93.7	34%	0.342	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	16.7	-179.1	-68.8	-80.1	0	0	0	113.4	H60 F61 E62 H84	H60-N64 PolarHBondContact CE1-ND2 3.33Å; H60-N64 PolarHBondContact ND1-ND2 3.2Å; H60-N64 WeakPolarHBondContact O-CB 3.23Å; H60-N64 PolarHBondContact O-N 3.11Å; H60-N64 PolarHBondContact O-ND2 2.84Å; F61-N64 CarbonylContact O-C 3.56Å; F61-N64 PolarHBondContact O-N 2.87Å; E62-N64 VanDerWaalsContact C-N 3.29Å; E62-N64 PolarHBondContact O-N 2.88Å; N64-H84 HydrophobicContact CB-CB 4.12Å
65	Q	70.4	Confident	65	Low	89 Å²	89	97.4 Å²	97.4	42%	0.416	51%	0.512	S	S	.	.	S	Bend	trans	-89.4	-12	174.4	-84.7	176.8	74.4	0	0	114.2	F61 E62	F61-Q65 HydrophobicContact CD2-CG 4.02Å; F61-Q65 HydrophobicContact CE1-CG 4.48Å; F61-Q65 HydrophobicContact CE2-CG 3.63Å; F61-Q65 HydrophobicContact CZ-CG 3.92Å; F61-Q65 WeakPolarHBondContact O-CG 3.47Å; F61-Q65 PolarHBondContact O-N 2.88Å; F61-Q65 PolarHBondContact O-NE2 3.22Å; E62-Q65 PolarHBondContact O-N 3.07Å
66	G	57.1	Low	62.8	Low	49 Å²	49	107 Å²	107	51%	0.505	55%	0.549	S	S	.	.	S	Bend	trans	-91.2	156.3	-173.5	0	0	0	0	0	115.4	S68	G66-S68 PolarHBondContact O-N 2.92Å
67	P	44.8	Very low	60.2	Low	89 Å²	89	113.6 Å²	113.6	58%	0.578	58%	0.58	S	S	*	*			trans	-64.6	127.2	165	27.2	-29.7	0	0	0	109.2	I69	P67-I69 PolarHBondContact O-N 2.85Å
68	S	38.9	Very low	57.9	Low	114 Å²	114	123.2 Å²	123.2	80%	0.797	62%	0.624	S	S	*	*			trans	-58.2	107.1	167	-50.9	0	0	0	0	108.6	G66 C70	G66-S68 PolarHBondContact O-N 2.92Å; S68-C70 PolarHBondContact O-N 3.37Å
69	I	35.9	Very low	55.5	Low	149 Å²	149	127.9 Å²	127.9	76%	0.764	64%	0.644	S	S	*	*			trans	-73.9	86.4	167.3	-61.9	175.6	0	0	0	106.4	P67 Q71	P67-I69 PolarHBondContact O-N 2.85Å; I69-Q71 HydrophobicContact CG2-CG 4.37Å; I69-Q71 PolarHBondContact O-N 2.8Å
70	C	31.5	Very low	53.5	Low	111 Å²	111	130.4 Å²	130.4	75%	0.75	66%	0.663	S	S	*	*			trans	-81.1	100.1	158.6	-82.7	0	0	0	0	107.4	S68 R72	S68-C70 PolarHBondContact O-N 3.37Å; C70-R72 VanDerWaalsContact C-N 3.26Å; C70-R72 PolarHBondContact O-N 2.81Å
71	Q	38.1	Very low	51.9	Low	178 Å²	178	136.2 Å²	136.2	83%	0.832	69%	0.688	S	S	*	*			trans	-64.2	95.3	154.8	-75.3	-171.1	-1.5	0	0	107.9	I69	I69-Q71 HydrophobicContact CG2-CG 4.37Å; I69-Q71 PolarHBondContact O-N 2.8Å
72	R	39.8	Very low	50.6	Low	237 Å²	237	139.6 Å²	139.6	89%	0.894	71%	0.71	S	S	*	*			trans	-162.8	124.9	148.3	-104.5	169.6	-142.6	-156.4	6.2	108.3	C70	C70-R72 VanDerWaalsContact C-N 3.26Å; C70-R72 PolarHBondContact O-N 2.81Å
73	K	39.6	Very low	50.2	Low	216 Å²	216	138.2 Å²	138.2	94%	0.939	70%	0.701	S	S	*	*			trans	-55.6	138.2	-179.8	-76.3	173.3	169.9	176.8	0	111.1
74	G	40.1	Very low	50.3	Low	69 Å²	69	133.8 Å²	133.8	71%	0.711	68%	0.68	S	S	*	*			trans	85.6	94	152.8	0	0	0	0	0	115.7
75	E	38.8	Very low	50.6	Low	196 Å²	196	130.7 Å²	130.7	92%	0.916	66%	0.664	S	S	*	*				160.4	124.2	128.1	-88.3	176.3	170.1	0	0	109.3	Q77	E75-Q77 PolarHBondContact O-N 2.89Å; E75-Q77 VanDerWaalsContact O-N 3.14Å
76	K	41.4	Very low	51.6	Low	219 Å²	219	126.5 Å²	126.5	95%	0.952	64%	0.644	S	S	*	*			trans	-69.9	104.1	178.5	-98.5	177.1	169.2	179.9	0	109.2
77	Q	37.8	Very low	53.2	Low	169 Å²	169	124.5 Å²	124.5	79%	0.79	62%	0.622	S	S	*	*			trans	-123.7	114.6	151.2	-107.1	179.4	10	0	0	107.5	E75 K79	E75-Q77 PolarHBondContact O-N 2.89Å; E75-Q77 VanDerWaalsContact O-N 3.14Å; Q77-K79 VanDerWaalsContact C-N 3.29Å; Q77-K79 PolarHBondContact O-N 2.91Å
78	E	40.7	Very low	55.4	Low	207 Å²	207	120.2 Å²	120.2	97%	0.967	60%	0.595	S	S	*	*			trans	-61.3	92.4	165.5	-83.8	178.5	143.8	0	0	108.3
79	K	40.7	Very low	57.8	Low	182 Å²	182	115.2 Å²	115.2	79%	0.791	56%	0.559	S	S	*	*			trans	-77.5	118.2	165.7	-103.4	179.3	174.5	175.7	0	108	Q77 K81	Q77-K79 VanDerWaalsContact C-N 3.29Å; Q77-K79 PolarHBondContact O-N 2.91Å; K79-K81 PolarHBondContact O-N 2.84Å; K79-K81 VanDerWaalsContact O-N 3.14Å
80	D	47.3	Very low	60.2	Low	157 Å²	157	108.1 Å²	108.1	84%	0.84	52%	0.523	S	S	*	.			trans	-43.8	118.2	167.8	-98.7	-29.9	0	0	0	110.1	T82	D80-T82 PolarHBondContact O-N 3.1Å
81	K	57.5	Low	62.6	Low	133 Å²	133	105.6 Å²	105.6	58%	0.578	51%	0.506	S	S	*	.			trans	-71.2	99.3	174	-88.1	-179.2	176.6	174.6	0	108.8	K79 Y83	K79-K81 PolarHBondContact O-N 2.84Å; K79-K81 VanDerWaalsContact O-N 3.14Å; K81-Y83 HydrophobicContact CB-CE2 4.02Å; K81-Y83 WeakPolarHBondContact O-CD2 3.22Å; K81-Y83 PolarHBondContact O-N 2.85Å
82	T	64.3	Low	64.5	Low	86 Å²	86	98.7 Å²	98.7	53%	0.528	48%	0.475	S	S	.	.			trans	-80.5	109.3	173	51.8	0	0	0	0	110	D80	D80-T82 PolarHBondContact O-N 3.1Å
83	Y	80.9	Confident	66.7	Low	67 Å²	67	88.2 Å²	88.2	26%	0.263	44%	0.436	S	S	.	.			trans	-81.5	147.2	172.9	-65	-81.9	0	0	0	110	N9 T43 K81	N9-Y83 WeakPolarHBondContact OD1-CB 3.1Å; N9-Y83 PolarHBondContact OD1-O 2.86Å; T43-Y83 PolarHBondContact OG1-O 2.8Å; K81-Y83 HydrophobicContact CB-CE2 4.02Å; K81-Y83 WeakPolarHBondContact O-CD2 3.22Å; K81-Y83 PolarHBondContact O-N 2.85Å
84	H	88.7	Confident	68.9	Low	28 Å²	28	78 Å²	78	13%	0.13	39%	0.392	C	S	.	.			trans	-104.3	58.8	175.8	-68.7	-168.2	0	0	0	109.7	T43 C44 H60 F61 N64	T43-H84 VanDerWaalsContact CG2-CD2 3.47Å; T43-H84 WeakPolarHBondContact CG2-CD2 3.28Å; C44-H84 VanDerWaalsContact CB-CE1 3.45Å; C44-H84 WeakPolarHBondContact CB-CE1 3.48Å; H60-H84 AromaticContact CE1-ND1 3.26Å; H60-H84 PolarHBondContact CE1-ND1 3Å; H60-H84 VanDerWaalsContact CE1-ND1 3.26Å; H60-H84 AromaticContact NE2-CE1 3.98Å; H60-H84 AromaticContact NE2-CG 3.65Å; H60-H84 AromaticContact NE2-ND1 2.9Å; H60-H84 PolarHBondContact NE2-ND1 3.37Å; F61-H84 WeakPolarHBondContact CD2-O 3.45Å; N64-H84 HydrophobicContact CB-CB 4.12Å
85	S	89.3	Confident	71.2	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	36%	0.358	C	S	.	.			trans	-95.1	-7.4	-169.6	69.6	0	0	0	0	115.2	N9 F61 C97 Y98	N9-S85 PolarHBondContact ND2-OG 2.96Å; N9-S85 WeakPolarHBondContact OD1-CB 3.23Å; N9-S85 PolarHBondContact OD1-N 3.1Å; N9-S85 PolarHBondContact OD1-OG 2.9Å; F61-S85 VanDerWaalsContact CE2-CB 3.45Å; S85-C97 CarbonylContact O-C 3.58Å; S85-C97 WeakPolarHBondContact O-CA 3.44Å; S85-Y98 PolarHBondContact O-N 2.95Å
86	V	90.4	Very high	73.6	Confident	1 Å²	1	66 Å²	66	1%	0.006	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	125.9	-174.9	-173.7	0	0	0	0	110.3	H5 L6 N9 L42 V95 F96 C97	H5-V86 HydrophobicContact CB-CG2 4.48Å; L6-V86 HydrophobicContact CD2-CG1 4.11Å; N9-V86 HydrophobicContact CB-CB 4.15Å; N9-V86 HydrophobicContact CB-CG2 3.71Å; L42-V86 HydrophobicContact CD1-CG1 3.77Å; L42-V86 HydrophobicContact CG-CG1 4.33Å; L42-V86 PolarHBondContact N-O 3.38Å; V86-V95 HydrophobicContact CG1-CG1 3.38Å; V86-F96 WeakPolarHBondContact CA-O 3.29Å; V86-C97 HydrophobicContact CG2-CB 4.39Å
87	C	91.4	Very high	75.9	Confident	6 Å²	6	55.6 Å²	55.6	4%	0.041	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	155.8	176.3	56	0	0	0	0	111	W39 I40 V95 F96 Y98	W39-C87 HydrophobicContact CE3-CB 3.99Å; I40-C87 CarbonylContact O-C 3.56Å; I40-C87 WeakPolarHBondContact O-CA 3.35Å; I40-C87 WeakPolarHBondContact O-CB 3.42Å; C87-V95 CarbonylContact O-C 3.27Å; C87-V95 WeakPolarHBondContact O-CA 3.37Å; C87-F96 PolarHBondContact N-O 2.84Å; C87-F96 PolarHBondContact O-N 3.35Å; C87-Y98 HydrophobicContact CB-CE2 4.32Å; C87-Y98 WeakPolarHBondContact SG-CE2 3.36Å
88	M	90.8	Very high	78.3	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	131.1	175.2	-176.3	-179.4	-71.9	0	0	109.6	W39 I40 L42 F93 S94 V95 T113 V116 R117 L120	W39-M88 CarbonylContact C-O 3.52Å; W39-M88 VanDerWaalsContact CA-O 3.27Å; W39-M88 WeakPolarHBondContact CA-O 3.48Å; I40-M88 HydrophobicContact CG2-CB 4.05Å; I40-M88 PolarHBondContact N-O 2.91Å; I40-M88 PolarHBondContact O-N 3.06Å; L42-M88 HydrophobicContact CD1-CB 4.46Å; L42-M88 HydrophobicContact CD1-CE 4.42Å; L42-M88 HydrophobicContact CD2-CB 3.88Å; L42-M88 HydrophobicContact CG-CB 4.32Å; M88-F93 HydrophobicContact SD-CB 4.34Å; M88-S94 CarbonylContact C-O 3.58Å; M88-S94 VanDerWaalsContact CA-O 3.31Å; M88-S94 WeakPolarHBondContact CA-O 3.19Å; M88-V95 HydrophobicContact CB-CG2 4.28Å; M88-V95 HydrophobicContact CE-CG2 3.47Å; M88-V95 VanDerWaalsContact CE-CG2 3.47Å; M88-V95 HydrophobicContact CG-CG2 4.14Å; M88-T113 WeakPolarHBondContact CE-O 3.41Å; M88-V116 HydrophobicContact CE-CB 4.31Å; M88-V116 HydrophobicContact CE-CG1 4.21Å; M88-V116 HydrophobicContact SD-CG1 3.95Å; M88-R117 HydrophobicContact CE-CB 4.37Å; M88-R117 HydrophobicContact SD-CB 4.44Å; M88-L120 HydrophobicContact CG-CD1 4.44Å; M88-L120 HydrophobicContact SD-CD1 3.64Å
89	D	88.3	Confident	80.5	Confident	8 Å²	8	44.7 Å²	44.7	4%	0.043	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	128.9	170.1	-177	-70.5	0	0	0	109.2	S37 W39 S91 N92 F93 S94	S37-D89 PolarHBondContact OG-OD2 3.46Å; W39-D89 HydrophobicContact CD2-CB 3.89Å; W39-D89 HydrophobicContact CE3-CB 4.13Å; W39-D89 HydrophobicContact CG-CB 4.47Å; W39-D89 HydrophobicContact CH2-CB 4.05Å; W39-D89 HydrophobicContact CZ2-CB 3.77Å; W39-D89 HydrophobicContact CZ3-CB 4.19Å; W39-D89 PolarHBondContact NE1-OD2 3.2Å; D89-S91 VanDerWaalsContact C-N 3.29Å; D89-S91 PolarHBondContact O-N 2.98Å; D89-S91 WeakPolarHBondContact OD1-CA 3.36Å; D89-S91 WeakPolarHBondContact OD1-CB 3.26Å; D89-S91 PolarHBondContact OD1-N 2.81Å; D89-N92 WeakPolarHBondContact CB-OD1 3.21Å; D89-N92 VanDerWaalsContact CG-OD1 3.29Å; D89-N92 PolarHBondContact OD1-N 2.87Å; D89-N92 PolarHBondContact OD1-OD1 3.3Å; D89-F93 WeakPolarHBondContact O-CA 3.38Å; D89-F93 PolarHBondContact O-N 3.14Å; D89-S94 PolarHBondContact N-O 3.13Å
90	C	87.7	Confident	82.5	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.007	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-10.4	-173.2	-63.6	0	0	0	0	113.5	P24 W27 P38 F93	P24-C90 HydrophobicContact CB-CB 4.02Å; P24-C90 WeakPolarHBondContact CB-O 3.12Å; W27-C90 HydrophobicContact CE3-CB 4.26Å; W27-C90 HydrophobicContact CZ3-CB 4.36Å; P38-C90 HydrophobicContact CB-CB 4.23Å; P38-C90 HydrophobicContact CG-CB 4.02Å; P38-C90 VanDerWaalsContact O-CB 3.29Å; P38-C90 WeakPolarHBondContact O-CB 3.28Å; P38-C90 PolarHBondContact O-N 3.27Å; P38-C90 PolarHBondContact O-SG 3.3Å; C90-F93 WeakPolarHBondContact O-CE1 3.35Å
91	S	81.2	Confident	84.4	Confident	57 Å²	57	36 Å²	36	40%	0.399	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-38	-177.3	-56.9	0	0	0	0	113	D89	D89-S91 VanDerWaalsContact C-N 3.29Å; D89-S91 PolarHBondContact O-N 2.98Å; D89-S91 WeakPolarHBondContact OD1-CA 3.36Å; D89-S91 WeakPolarHBondContact OD1-CB 3.26Å; D89-S91 PolarHBondContact OD1-N 2.81Å
92	N	77.4	Confident	85.5	Confident	34 Å²	34	32.5 Å²	32.5	18%	0.182	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-0.4	177.3	69.5	29.2	0	0	0	113.4	D89 S94 Y257 Q258	D89-N92 WeakPolarHBondContact CB-OD1 3.21Å; D89-N92 VanDerWaalsContact CG-OD1 3.29Å; D89-N92 PolarHBondContact OD1-N 2.87Å; D89-N92 PolarHBondContact OD1-OD1 3.3Å; N92-S94 PolarHBondContact O-N 3.4Å; N92-S94 WeakPolarHBondContact OD1-CB 3.05Å; N92-S94 PolarHBondContact OD1-N 3.41Å; N92-S94 PolarHBondContact OD1-OG 3.43Å; N92-Y257 CarbonylContact O-C 3.52Å; N92-Y257 WeakPolarHBondContact O-CA 3.24Å; N92-Y257 PolarHBondContact O-N 2.95Å; N92-Q258 HydrophobicContact CB-CG 3.57Å
93	F	86.8	Confident	86.4	Confident	17 Å²	17	30.5 Å²	30.5	8%	0.075	15%	0.152	C	C	.	.			trans	58.5	14	177.5	-37.4	-65.2	0	0	0	115.2	M88 D89 C90 R117 L120 Q121 Y257	M88-F93 HydrophobicContact SD-CB 4.34Å; D89-F93 WeakPolarHBondContact O-CA 3.38Å; D89-F93 PolarHBondContact O-N 3.14Å; C90-F93 WeakPolarHBondContact O-CE1 3.35Å; F93-R117 HydrophobicContact CB-CB 4.49Å; F93-R117 HydrophobicContact CB-CG 3.71Å; F93-R117 HydrophobicContact CD2-CG 4.35Å; F93-R117 HydrophobicContact CG-CG 3.95Å; F93-L120 HydrophobicContact CD1-CB 4.01Å; F93-L120 HydrophobicContact CD1-CD1 4.08Å; F93-L120 HydrophobicContact CE1-CB 3.71Å; F93-L120 HydrophobicContact CE1-CD1 4.48Å; F93-Q121 HydrophobicContact CD2-CG 4.13Å; F93-Q121 HydrophobicContact CE1-CG 4.1Å; F93-Q121 HydrophobicContact CE2-CG 3.52Å; F93-Q121 HydrophobicContact CZ-CG 3.5Å; F93-Q121 VanDerWaalsContact CZ-CG 3.5Å; F93-Y257 HydrophobicContact CB-CD2 4.22Å; F93-Y257 WeakPolarHBondContact O-CD2 3.44Å; F93-Y257 WeakPolarHBondContact O-CE2 3.47Å
94	S	85.4	Confident	86.4	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.007	14%	0.141	C	C	.	.			trans	-66.7	138.8	174.2	66.1	0	0	0	0	109.5	M88 D89 N92	M88-S94 CarbonylContact C-O 3.58Å; M88-S94 VanDerWaalsContact CA-O 3.31Å; M88-S94 WeakPolarHBondContact CA-O 3.19Å; D89-S94 PolarHBondContact N-O 3.13Å; N92-S94 PolarHBondContact O-N 3.4Å; N92-S94 WeakPolarHBondContact OD1-CB 3.05Å; N92-S94 PolarHBondContact OD1-N 3.41Å; N92-S94 PolarHBondContact OD1-OG 3.43Å
95	V	88.6	Confident	85.8	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.012	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	134.4	178.1	-178.5	0	0	0	0	108	L42 V86 C87 M88 F103 V104	L42-V95 HydrophobicContact CD1-CG1 4.21Å; V86-V95 HydrophobicContact CG1-CG1 3.38Å; C87-V95 CarbonylContact O-C 3.27Å; C87-V95 WeakPolarHBondContact O-CA 3.37Å; M88-V95 HydrophobicContact CB-CG2 4.28Å; M88-V95 HydrophobicContact CE-CG2 3.47Å; M88-V95 VanDerWaalsContact CE-CG2 3.47Å; M88-V95 HydrophobicContact CG-CG2 4.14Å; V95-F103 CarbonylContact O-C 3.5Å; V95-F103 WeakPolarHBondContact O-CA 3.37Å; V95-V104 HydrophobicContact CB-CB 4.03Å; V95-V104 HydrophobicContact CG1-CB 3.86Å; V95-V104 HydrophobicContact CG1-CG2 4.18Å; V95-V104 PolarHBondContact O-N 3.45Å
96	F	88.4	Confident	85.1	Confident	11 Å²	11	27.7 Å²	27.7	5%	0.048	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135.3	176.5	-166.5	-88.6	0	0	0	109.9	W39 V86 C87 Y98 D101 F103	W39-F96 HydrophobicContact CE3-CB 4.47Å; W39-F96 HydrophobicContact CH2-CB 3.83Å; W39-F96 HydrophobicContact CZ3-CB 3.41Å; W39-F96 VanDerWaalsContact CZ3-CB 3.41Å; V86-F96 WeakPolarHBondContact CA-O 3.29Å; C87-F96 PolarHBondContact N-O 2.84Å; C87-F96 PolarHBondContact O-N 3.35Å; F96-Y98 AromaticContact CD1-CD1 3.57Å; F96-Y98 HydrophobicContact CD1-CD1 3.57Å; F96-Y98 AromaticContact CD1-CE1 3.62Å; F96-Y98 HydrophobicContact CD1-CE1 3.62Å; F96-Y98 HydrophobicContact CD1-CG 4.08Å; F96-Y98 AromaticContact CE1-CD1 3.49Å; F96-Y98 HydrophobicContact CE1-CD1 3.49Å; F96-Y98 VanDerWaalsContact CE1-CD1 3.49Å; F96-Y98 AromaticContact CE1-CE1 3.78Å; F96-Y98 HydrophobicContact CE1-CE1 3.78Å; F96-Y98 HydrophobicContact CE1-CG 4.24Å; F96-D101 VanDerWaalsContact CZ-C 3.42Å; F96-F103 HydrophobicContact CB-CD1 4.47Å; F96-F103 AromaticContact CD2-CD1 3.91Å; F96-F103 HydrophobicContact CD2-CD1 3.91Å; F96-F103 AromaticContact CD2-CD2 3.96Å; F96-F103 HydrophobicContact CD2-CD2 3.96Å; F96-F103 AromaticContact CD2-CE1 3.98Å; F96-F103 HydrophobicContact CD2-CE1 3.98Å; F96-F103 HydrophobicContact CD2-CE2 4.01Å; F96-F103 AromaticContact CD2-CG 3.91Å; F96-F103 HydrophobicContact CD2-CG 3.91Å; F96-F103 HydrophobicContact CD2-CZ 4.03Å; F96-F103 HydrophobicContact CE2-CD2 4.12Å; F96-F103 HydrophobicContact CE2-CE2 4.16Å; F96-F103 HydrophobicContact CE2-CG 4.47Å
97	C	90.3	Very high	84.5	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	110.7	172.4	-178.8	0	0	0	0	109.5	C3 H5 S85 V86 R99 C100 D101 D102 V104	C3-C97 VanDerWaalsContact SG-SG 3.7Å; H5-C97 PolarHBondContact ND1-SG 3.2Å; H5-C97 VanDerWaalsContact ND1-SG 3.39Å; S85-C97 CarbonylContact O-C 3.58Å; S85-C97 WeakPolarHBondContact O-CA 3.44Å; V86-C97 HydrophobicContact CG2-CB 4.39Å; C97-R99 PolarHBondContact O-N 2.85Å; C97-C100 HydrophobicContact CB-CB 4.01Å; C97-C100 PolarHBondContact O-N 2.82Å; C97-C100 PolarHBondContact SG-N 2.76Å; C97-D101 WeakPolarHBondContact O-CA 3.4Å; C97-D101 PolarHBondContact O-N 3.41Å; C97-D102 PolarHBondContact N-O 3.17Å; C97-D102 PolarHBondContact O-N 3.45Å; C97-V104 HydrophobicContact CB-CG2 3.54Å
98	Y	87.8	Confident	84	Confident	14 Å²	14	30.6 Å²	30.6	6%	0.055	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-17.6	178.9	-69.3	-61.6	0	0	0	114.1	R51 A57 K58 F61 S85 C87 F96	R51-Y98 HydrophobicContact CB-CE1 4.45Å; R51-Y98 VanDerWaalsContact NH2-CD1 3.32Å; A57-Y98 HydrophobicContact CB-CE2 4.13Å; A57-Y98 WeakPolarHBondContact CB-OH 3.49Å; A57-Y98 WeakPolarHBondContact O-CE2 3.31Å; K58-Y98 HydrophobicContact CB-CD1 4.42Å; K58-Y98 HydrophobicContact CB-CE1 4Å; K58-Y98 HydrophobicContact CG-CD1 4.38Å; K58-Y98 HydrophobicContact CG-CE1 4.39Å; F61-Y98 HydrophobicContact CB-CD2 3.73Å; F61-Y98 HydrophobicContact CB-CE2 4.49Å; F61-Y98 HydrophobicContact CB-CG 4.13Å; F61-Y98 HydrophobicContact CD1-CD2 4.37Å; F61-Y98 AromaticContact CD1-CG 3.91Å; F61-Y98 HydrophobicContact CD1-CG 3.91Å; F61-Y98 WeakPolarHBondContact CE1-O 3.4Å; F61-Y98 HydrophobicContact CG-CD2 4.11Å; F61-Y98 HydrophobicContact CG-CG 4.1Å; S85-Y98 PolarHBondContact O-N 2.95Å; C87-Y98 HydrophobicContact CB-CE2 4.32Å; C87-Y98 WeakPolarHBondContact SG-CE2 3.36Å; F96-Y98 AromaticContact CD1-CD1 3.57Å; F96-Y98 HydrophobicContact CD1-CD1 3.57Å; F96-Y98 AromaticContact CD1-CE1 3.62Å; F96-Y98 HydrophobicContact CD1-CE1 3.62Å; F96-Y98 HydrophobicContact CD1-CG 4.08Å; F96-Y98 AromaticContact CE1-CD1 3.49Å; F96-Y98 HydrophobicContact CE1-CD1 3.49Å; F96-Y98 VanDerWaalsContact CE1-CD1 3.49Å; F96-Y98 AromaticContact CE1-CE1 3.78Å; F96-Y98 HydrophobicContact CE1-CE1 3.78Å; F96-Y98 HydrophobicContact CE1-CG 4.24Å
99	R	86.6	Confident	83.2	Confident	134 Å²	134	41 Å²	41	51%	0.506	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-32.5	176.6	-160.5	174.7	177.8	-167.3	1.9	112.9	H5 F61 C97 D101	H5-R99 WeakPolarHBondContact NE2-CD 3.18Å; F61-R99 HydrophobicContact CE2-CB 4.39Å; F61-R99 HydrophobicContact CZ-CB 4.03Å; F61-R99 HydrophobicContact CZ-CG 4.48Å; C97-R99 PolarHBondContact O-N 2.85Å; R99-D101 VanDerWaalsContact C-N 3.3Å
100	C	84.6	Confident	82.6	Confident	55 Å²	55	46.6 Å²	46.6	37%	0.372	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-17.3	168.4	-67.2	0	0	0	0	112.3	H5 C97 D102	H5-C100 PolarHBondContact CE1-SG 2.94Å; H5-C100 PolarHBondContact ND1-SG 3.43Å; C97-C100 HydrophobicContact CB-CB 4.01Å; C97-C100 PolarHBondContact O-N 2.82Å; C97-C100 PolarHBondContact SG-N 2.76Å; C100-D102 HydrophobicContact CB-CB 4.42Å; C100-D102 PolarHBondContact O-N 2.87Å
101	D	85.3	Confident	82.2	Confident	101 Å²	101	47.6 Å²	47.6	54%	0.54	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	35.6	-168.8	-156.1	38.3	0	0	0	113.2	R51 F96 C97 R99	R51-D101 IonicContact CZ-OD1 3.13Å; R51-D101 IonicContact NH1-OD1 2.67Å; R51-D101 PolarHBondContact NH1-OD1 2.75Å; R51-D101 IonicContact NH2-OD1 2.68Å; R51-D101 PolarHBondContact NH2-OD1 2.68Å; F96-D101 VanDerWaalsContact CZ-C 3.42Å; C97-D101 WeakPolarHBondContact O-CA 3.4Å; C97-D101 PolarHBondContact O-N 3.41Å; R99-D101 VanDerWaalsContact C-N 3.3Å
102	D	81.4	Confident	82.3	Confident	59 Å²	59	47.3 Å²	47.3	32%	0.316	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	160.2	-175.3	-156.1	-2.6	0	0	0	111.7	C97 C100 Y245	C97-D102 PolarHBondContact N-O 3.17Å; C97-D102 PolarHBondContact O-N 3.45Å; C100-D102 HydrophobicContact CB-CB 4.42Å; C100-D102 PolarHBondContact O-N 2.87Å; D102-Y245 WeakPolarHBondContact OD2-CE2 3.48Å; D102-Y245 PolarHBondContact OD2-OH 3.42Å
103	F	82.3	Confident	82.5	Confident	45 Å²	45	45.8 Å²	45.8	20%	0.197	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	142.4	171.8	-74.8	-84.6	0	0	0	110.9	W39 V95 F96 W248	W39-F103 HydrophobicContact CH2-CE1 4.04Å; V95-F103 CarbonylContact O-C 3.5Å; V95-F103 WeakPolarHBondContact O-CA 3.37Å; F96-F103 HydrophobicContact CB-CD1 4.47Å; F96-F103 AromaticContact CD2-CD1 3.91Å; F96-F103 HydrophobicContact CD2-CD1 3.91Å; F96-F103 AromaticContact CD2-CD2 3.96Å; F96-F103 HydrophobicContact CD2-CD2 3.96Å; F96-F103 AromaticContact CD2-CE1 3.98Å; F96-F103 HydrophobicContact CD2-CE1 3.98Å; F96-F103 HydrophobicContact CD2-CE2 4.01Å; F96-F103 AromaticContact CD2-CG 3.91Å; F96-F103 HydrophobicContact CD2-CG 3.91Å; F96-F103 HydrophobicContact CD2-CZ 4.03Å; F96-F103 HydrophobicContact CE2-CD2 4.12Å; F96-F103 HydrophobicContact CE2-CE2 4.16Å; F96-F103 HydrophobicContact CE2-CG 4.47Å; F103-W248 HydrophobicContact CB-CE3 4.28Å; F103-W248 HydrophobicContact CB-CZ3 4.2Å
104	V	82.8	Confident	82.3	Confident	4 Å²	4	46.5 Å²	46.5	2%	0.024	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	119.8	-178.8	-172.1	0	0	0	0	108.9	C3 L6 V95 C97 N106	C3-V104 HydrophobicContact CB-CB 4.24Å; C3-V104 HydrophobicContact CB-CG1 3.52Å; C3-V104 HydrophobicContact CB-CG2 3.72Å; L6-V104 HydrophobicContact CD1-CG1 3.63Å; L6-V104 HydrophobicContact CD2-CG1 3.88Å; L6-V104 HydrophobicContact CG-CG1 3.88Å; V95-V104 HydrophobicContact CB-CB 4.03Å; V95-V104 HydrophobicContact CG1-CB 3.86Å; V95-V104 HydrophobicContact CG1-CG2 4.18Å; V95-V104 PolarHBondContact O-N 3.45Å; C97-V104 HydrophobicContact CB-CG2 3.54Å; V104-N106 VanDerWaalsContact CG1-OD1 3.31Å; V104-N106 WeakPolarHBondContact CG1-OD1 3.5Å
105	V	75.9	Confident	82.2	Confident	12 Å²	12	51.5 Å²	51.5	7%	0.073	25%	0.253	C	S	.	.			trans	-98.2	-37.7	179.2	169.3	0	0	0	0	111.5	D241 F244 Y245 W248 Y257	V105-D241 HydrophobicContact CG1-CB 4.11Å; V105-F244 HydrophobicContact CB-CD1 4.26Å; V105-F244 HydrophobicContact CG1-CB 4.18Å; V105-F244 HydrophobicContact CG1-CD1 3.44Å; V105-F244 VanDerWaalsContact CG1-CD1 3.44Å; V105-F244 HydrophobicContact CG1-CE1 4.21Å; V105-F244 HydrophobicContact CG1-CG 4.26Å; V105-F244 HydrophobicContact CG2-CD1 3.9Å; V105-F244 HydrophobicContact CG2-CE1 4.42Å; V105-Y245 HydrophobicContact CG2-CD2 4.1Å; V105-W248 HydrophobicContact CG2-CD2 4.4Å; V105-W248 HydrophobicContact CG2-CE3 3.65Å; V105-W248 HydrophobicContact CG2-CZ3 3.76Å; V105-Y257 PolarHBondContact O-OH 3.19Å
106	N	73.9	Confident	82	Confident	20 Å²	20	51.5 Å²	51.5	11%	0.107	25%	0.253	C	S	.	.			trans	-73.9	159.6	-178.1	64.7	-56.8	0	0	0	112.1	E2 C3 L6 V104	E2-N106 WeakPolarHBondContact CB-ND2 2.93Å; E2-N106 HydrophobicContact CG-CB 4.15Å; C3-N106 PolarHBondContact N-ND2 3.29Å; C3-N106 PolarHBondContact N-OD1 3.02Å; L6-N106 WeakPolarHBondContact CD1-ND2 3.41Å; L6-N106 VanDerWaalsContact CD1-O 3.22Å; L6-N106 WeakPolarHBondContact CD1-O 3.45Å; V104-N106 VanDerWaalsContact CG1-OD1 3.31Å; V104-N106 WeakPolarHBondContact CG1-OD1 3.5Å
107	D	77.5	Confident	81.9	Confident	50 Å²	50	51.2 Å²	51.2	27%	0.267	25%	0.252	S	S	.	.			trans	-105.3	169.2	174.6	-153.9	-18.6	0	0	0	111.8	G111 H112 T113 Q114	D107-G111 VanDerWaalsContact OD2-CA 3.3Å; D107-G111 WeakPolarHBondContact OD2-CA 3.31Å; D107-H112 PolarHBondContact OD1-N 2.91Å; D107-T113 WeakPolarHBondContact OD1-CA 3.49Å; D107-T113 VanDerWaalsContact OD1-CB 3.31Å; D107-T113 WeakPolarHBondContact OD1-CB 3.37Å; D107-T113 PolarHBondContact OD1-N 3.48Å; D107-T113 PolarHBondContact OD1-OG1 3.34Å; D107-T113 PolarHBondContact OD2-OG1 3.23Å; D107-Q114 WeakPolarHBondContact OD2-CB 3.45Å; D107-Q114 PolarHBondContact OD2-N 2.82Å
108	T	81.3	Confident	81.5	Confident	18 Å²	18	56 Å²	56	11%	0.11	27%	0.274	C	S	.	.			trans	-66.3	156.6	163.8	70.7	0	0	0	0	109.9	L6 V10 L110 G111 H112	L6-T108 HydrophobicContact CB-CG2 4.03Å; V10-T108 HydrophobicContact CB-CG2 4.15Å; V10-T108 HydrophobicContact CG1-CG2 4.45Å; V10-T108 HydrophobicContact CG2-CG2 4.4Å; T108-L110 PolarHBondContact O-N 3.29Å; T108-G111 PolarHBondContact O-N 2.91Å; T108-G111 PolarHBondContact OG1-N 2.93Å; T108-H112 HydrophobicContact CG2-CB 4.29Å; T108-H112 WeakPolarHBondContact OG1-CB 3.46Å; T108-H112 PolarHBondContact OG1-N 3.01Å
109	K	73.1	Confident	81.4	Confident	219 Å²	219	57.8 Å²	57.8	95%	0.952	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-22.7	177.2	-65.7	-175.4	178.8	-178.5	0	114.2
110	L	76.9	Confident	81.2	Confident	125 Å²	125	51.4 Å²	51.4	65%	0.654	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	5.5	-179.5	-62.7	176.1	0	0	0	113.3	T108 H112	T108-L110 PolarHBondContact O-N 3.29Å; L110-H112 WeakPolarHBondContact CB-NE2 3.47Å
111	G	79.7	Confident	81	Confident	22 Å²	22	50.3 Å²	50.3	23%	0.227	25%	0.248	C	C	.	.			trans	69.4	30.3	177.5	0	0	0	0	0	114.2	D107 T108 Q114 K115	D107-G111 VanDerWaalsContact OD2-CA 3.3Å; D107-G111 WeakPolarHBondContact OD2-CA 3.31Å; T108-G111 PolarHBondContact O-N 2.91Å; T108-G111 PolarHBondContact OG1-N 2.93Å; G111-Q114 PolarHBondContact O-N 2.82Å; G111-K115 WeakPolarHBondContact O-CG 3.33Å; G111-K115 PolarHBondContact O-N 3.11Å
112	H	82.1	Confident	80.9	Confident	51 Å²	51	49.1 Å²	49.1	24%	0.236	25%	0.248	C	C	.	.	H	α-helix	trans	-68.3	-36.3	-173	-68.6	171.9	0	0	0	112.8	V10 D107 T108 L110 K115 V116	V10-H112 HydrophobicContact CG1-CB 3.59Å; D107-H112 PolarHBondContact OD1-N 2.91Å; T108-H112 HydrophobicContact CG2-CB 4.29Å; T108-H112 WeakPolarHBondContact OG1-CB 3.46Å; T108-H112 PolarHBondContact OG1-N 3.01Å; L110-H112 WeakPolarHBondContact CB-NE2 3.47Å; H112-K115 PolarHBondContact O-N 3.32Å; H112-V116 WeakPolarHBondContact O-CG2 3.32Å; H112-V116 PolarHBondContact O-N 2.94Å; H112-V116 VanDerWaalsContact O-N 3.1Å
113	T	82.6	Confident	80.9	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-70.9	-36.5	178.5	69	0	0	0	0	110.9	L6 V10 L42 M88 D107 V116 R117	L6-T113 HydrophobicContact CD2-CG2 3.89Å; V10-T113 HydrophobicContact CG1-CG2 4.38Å; V10-T113 HydrophobicContact CG2-CG2 4.04Å; L42-T113 HydrophobicContact CD1-CG2 4.13Å; M88-T113 WeakPolarHBondContact CE-O 3.41Å; D107-T113 WeakPolarHBondContact OD1-CA 3.49Å; D107-T113 VanDerWaalsContact OD1-CB 3.31Å; D107-T113 WeakPolarHBondContact OD1-CB 3.37Å; D107-T113 PolarHBondContact OD1-N 3.48Å; D107-T113 PolarHBondContact OD1-OG1 3.34Å; D107-T113 PolarHBondContact OD2-OG1 3.23Å; T113-V116 PolarHBondContact O-N 2.87Å; T113-R117 WeakPolarHBondContact O-CB 3.33Å; T113-R117 PolarHBondContact O-N 3Å
114	Q	81.8	Confident	80.7	Confident	32 Å²	32	49.2 Å²	49.2	15%	0.15	25%	0.248	C	C	.	.	H	α-helix	trans	-61.9	-44.3	171.2	179.9	63.2	18	0	0	112	D107 G111 V116 R117 E118 L165	D107-Q114 WeakPolarHBondContact OD2-CB 3.45Å; D107-Q114 PolarHBondContact OD2-N 2.82Å; G111-Q114 PolarHBondContact O-N 2.82Å; Q114-V116 VanDerWaalsContact C-N 3.33Å; Q114-V116 PolarHBondContact O-N 3.07Å; Q114-R117 WeakPolarHBondContact O-CB 3.3Å; Q114-R117 PolarHBondContact O-N 3.38Å; Q114-R117 VanDerWaalsContact O-N 3.13Å; Q114-E118 HydrophobicContact CG-CG 4.47Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.39Å; Q114-E118 PolarHBondContact NE2-OE1 3.32Å; Q114-E118 WeakPolarHBondContact O-CG 3.49Å; Q114-E118 PolarHBondContact O-N 2.81Å; Q114-L165 VanDerWaalsContact OE1-C 3.32Å; Q114-L165 PolarHBondContact OE1-O 3.18Å
115	K	83.7	Confident	80.1	Confident	107 Å²	107	52.6 Å²	52.6	47%	0.465	27%	0.266	S	S	.	.	H	α-helix	trans	-59.2	-42	175.8	-73	173.8	-174.6	177.2	0	112.8	G111 H112 E118 H119	G111-K115 WeakPolarHBondContact O-CG 3.33Å; G111-K115 PolarHBondContact O-N 3.11Å; H112-K115 PolarHBondContact O-N 3.32Å; K115-E118 PolarHBondContact O-N 2.89Å; K115-H119 WeakPolarHBondContact O-CB 3.23Å; K115-H119 PolarHBondContact O-N 2.88Å
116	V	84.1	Confident	79.9	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.012	28%	0.284	C	S	.	.	H	α-helix	trans	-64.3	-42.4	175.5	174.9	0	0	0	0	110.6	L42 M88 H112 T113 Q114 H119 L120	L42-V116 HydrophobicContact CD2-CG1 3.96Å; M88-V116 HydrophobicContact CE-CB 4.31Å; M88-V116 HydrophobicContact CE-CG1 4.21Å; M88-V116 HydrophobicContact SD-CG1 3.95Å; H112-V116 WeakPolarHBondContact O-CG2 3.32Å; H112-V116 PolarHBondContact O-N 2.94Å; H112-V116 VanDerWaalsContact O-N 3.1Å; T113-V116 PolarHBondContact O-N 2.87Å; Q114-V116 VanDerWaalsContact C-N 3.33Å; Q114-V116 PolarHBondContact O-N 3.07Å; V116-H119 PolarHBondContact O-N 3.47Å; V116-L120 HydrophobicContact CG1-CD1 4.13Å; V116-L120 HydrophobicContact CG1-CG 4.4Å; V116-L120 WeakPolarHBondContact O-CG 3.13Å; V116-L120 PolarHBondContact O-N 2.96Å
117	R	86.3	Confident	79.1	Confident	5 Å²	5	59.2 Å²	59.2	2%	0.019	31%	0.306	C	S	.	.	H	α-helix	trans	-59.4	-48.9	176	-179.8	177.9	-54.9	113.6	3.4	111.9	M88 F93 T113 Q114 H119 L120 Q121 L165 Y257	M88-R117 HydrophobicContact CE-CB 4.37Å; M88-R117 HydrophobicContact SD-CB 4.44Å; F93-R117 HydrophobicContact CB-CB 4.49Å; F93-R117 HydrophobicContact CB-CG 3.71Å; F93-R117 HydrophobicContact CD2-CG 4.35Å; F93-R117 HydrophobicContact CG-CG 3.95Å; T113-R117 WeakPolarHBondContact O-CB 3.33Å; T113-R117 PolarHBondContact O-N 3Å; Q114-R117 WeakPolarHBondContact O-CB 3.3Å; Q114-R117 PolarHBondContact O-N 3.38Å; Q114-R117 VanDerWaalsContact O-N 3.13Å; R117-H119 VanDerWaalsContact C-N 3.32Å; R117-H119 PolarHBondContact O-N 2.9Å; R117-L120 PolarHBondContact O-N 3.44Å; R117-Q121 WeakPolarHBondContact O-CB 3.32Å; R117-Q121 VanDerWaalsContact O-CG 3.26Å; R117-Q121 WeakPolarHBondContact O-CG 3.46Å; R117-Q121 PolarHBondContact O-N 3.47Å; R117-L165 PolarHBondContact NH1-O 3.24Å; R117-Y257 VanDerWaalsContact NH2-CZ 3.3Å
118	E	82.4	Confident	77.8	Confident	99 Å²	99	62.5 Å²	62.5	46%	0.463	32%	0.322	S	S	.	.	H	α-helix	trans	-60.3	-41.4	176.7	-73.2	169.3	-175.5	0	0	111.8	Q114 K115 Q121 S122	Q114-E118 HydrophobicContact CG-CG 4.47Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.39Å; Q114-E118 PolarHBondContact NE2-OE1 3.32Å; Q114-E118 WeakPolarHBondContact O-CG 3.49Å; Q114-E118 PolarHBondContact O-N 2.81Å; K115-E118 PolarHBondContact O-N 2.89Å; E118-Q121 PolarHBondContact O-N 3.37Å; E118-S122 WeakPolarHBondContact O-CB 3.46Å; E118-S122 PolarHBondContact O-N 3.04Å
119	H	84.2	Confident	76.4	Confident	53 Å²	53	66.7 Å²	66.7	25%	0.245	34%	0.343	C	S	.	.	H	α-helix	trans	-64.3	-46.5	176.9	-173.6	72.8	0	0	0	112.2	T14 F19 K115 V116 R117 Q121 S122 L123	T14-H119 HydrophobicContact CG2-CB 3.73Å; F19-H119 AromaticContact CD1-NE2 3.74Å; F19-H119 AromaticContact CE1-CD2 3.45Å; F19-H119 VanDerWaalsContact CE1-CD2 3.45Å; F19-H119 WeakPolarHBondContact CE1-CD2 3.46Å; F19-H119 AromaticContact CE1-NE2 3.64Å; F19-H119 AromaticContact CZ-CD2 3.53Å; K115-H119 WeakPolarHBondContact O-CB 3.23Å; K115-H119 PolarHBondContact O-N 2.88Å; V116-H119 PolarHBondContact O-N 3.47Å; R117-H119 VanDerWaalsContact C-N 3.32Å; R117-H119 PolarHBondContact O-N 2.9Å; H119-Q121 VanDerWaalsContact C-N 3.33Å; H119-Q121 PolarHBondContact O-N 3.15Å; H119-S122 WeakPolarHBondContact O-CB 3.38Å; H119-S122 PolarHBondContact O-N 2.72Å; H119-L123 WeakPolarHBondContact O-CG 3.44Å; H119-L123 PolarHBondContact O-N 3.45Å
120	L	83.4	Confident	74.9	Confident	0 Å²	0	59 Å²	59	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-60.5	-42.7	175.4	-68.7	173.6	0	0	0	111.8	F19 P24 W27 I40 M88 F93 V116 R117 S122 L123 E124	F19-L120 HydrophobicContact CE1-CD2 4.06Å; F19-L120 HydrophobicContact CZ-CD2 3.75Å; F19-L120 HydrophobicContact CZ-CG 4.39Å; P24-L120 HydrophobicContact CB-CD2 4.47Å; P24-L120 HydrophobicContact CG-CB 4.29Å; P24-L120 HydrophobicContact CG-CD2 3.89Å; W27-L120 HydrophobicContact CH2-CD2 3.33Å; W27-L120 HydrophobicContact CZ2-CD2 4.47Å; W27-L120 HydrophobicContact CZ3-CD2 3.55Å; I40-L120 HydrophobicContact CG2-CD1 4.45Å; M88-L120 HydrophobicContact CG-CD1 4.44Å; M88-L120 HydrophobicContact SD-CD1 3.64Å; F93-L120 HydrophobicContact CD1-CB 4.01Å; F93-L120 HydrophobicContact CD1-CD1 4.08Å; F93-L120 HydrophobicContact CE1-CB 3.71Å; F93-L120 HydrophobicContact CE1-CD1 4.48Å; V116-L120 HydrophobicContact CG1-CD1 4.13Å; V116-L120 HydrophobicContact CG1-CG 4.4Å; V116-L120 WeakPolarHBondContact O-CG 3.13Å; V116-L120 PolarHBondContact O-N 2.96Å; R117-L120 PolarHBondContact O-N 3.44Å; L120-S122 VanDerWaalsContact C-N 3.35Å; L120-S122 PolarHBondContact O-N 3.29Å; L120-L123 PolarHBondContact O-N 3.02Å; L120-E124 PolarHBondContact O-N 3.4Å
121	Q	80.8	Confident	73.1	Confident	31 Å²	31	59.9 Å²	59.9	15%	0.145	33%	0.332	C	S	.	.	H	α-helix	trans	-62.3	-41.2	175.3	-73.5	174	-5.3	0	0	112.1	F93 R117 E118 H119 L123 E124 N125 N167	F93-Q121 HydrophobicContact CD2-CG 4.13Å; F93-Q121 HydrophobicContact CE1-CG 4.1Å; F93-Q121 HydrophobicContact CE2-CG 3.52Å; F93-Q121 HydrophobicContact CZ-CG 3.5Å; F93-Q121 VanDerWaalsContact CZ-CG 3.5Å; R117-Q121 WeakPolarHBondContact O-CB 3.32Å; R117-Q121 VanDerWaalsContact O-CG 3.26Å; R117-Q121 WeakPolarHBondContact O-CG 3.46Å; R117-Q121 PolarHBondContact O-N 3.47Å; E118-Q121 PolarHBondContact O-N 3.37Å; H119-Q121 VanDerWaalsContact C-N 3.33Å; H119-Q121 PolarHBondContact O-N 3.15Å; Q121-L123 VanDerWaalsContact C-N 3.34Å; Q121-L123 PolarHBondContact O-N 3.27Å; Q121-E124 PolarHBondContact O-N 3.03Å; Q121-N125 WeakPolarHBondContact O-CB 3.31Å; Q121-N125 VanDerWaalsContact O-CG 3.25Å; Q121-N125 PolarHBondContact O-N 3.09Å; Q121-N125 PolarHBondContact O-ND2 3.24Å; Q121-N125 VanDerWaalsContact O-ND2 3.11Å; Q121-N167 PolarHBondContact NE2-ND2 3.34Å; Q121-N167 VanDerWaalsContact NE2-ND2 3.13Å
122	S	82.6	Confident	71.5	Confident	76 Å²	76	66.4 Å²	66.4	53%	0.531	35%	0.349	S	S	.	.	H	α-helix	trans	-62.1	-41.3	175.8	-176.6	0	0	0	0	112	E118 H119 L120 N125 S126	E118-S122 WeakPolarHBondContact O-CB 3.46Å; E118-S122 PolarHBondContact O-N 3.04Å; H119-S122 WeakPolarHBondContact O-CB 3.38Å; H119-S122 PolarHBondContact O-N 2.72Å; L120-S122 VanDerWaalsContact C-N 3.35Å; L120-S122 PolarHBondContact O-N 3.29Å; S122-N125 PolarHBondContact O-N 2.9Å; S122-S126 PolarHBondContact O-N 3.03Å; S122-S126 VanDerWaalsContact O-N 3.11Å
123	L	81.9	Confident	69.5	Low	42 Å²	42	71.4 Å²	71.4	22%	0.22	37%	0.373	C	S	.	.	H	α-helix	trans	-63.5	-43.1	176.7	-68.8	173	0	0	0	111.5	F19 P24 W27 H119 L120 Q121 S126	F19-L123 HydrophobicContact CD1-CD1 4.26Å; F19-L123 HydrophobicContact CE1-CD1 3.69Å; P24-L123 HydrophobicContact CG-CB 4.2Å; W27-L123 HydrophobicContact CH2-CD1 4.45Å; W27-L123 HydrophobicContact CZ2-CD1 4.17Å; H119-L123 WeakPolarHBondContact O-CG 3.44Å; H119-L123 PolarHBondContact O-N 3.45Å; L120-L123 PolarHBondContact O-N 3.02Å; Q121-L123 VanDerWaalsContact C-N 3.34Å; Q121-L123 PolarHBondContact O-N 3.27Å; L123-S126 PolarHBondContact O-N 3.29Å; L123-S126 PolarHBondContact O-OG 3.22Å
124	E	78.4	Confident	67.4	Low	64 Å²	64	82.9 Å²	82.9	30%	0.299	42%	0.416	S	S	.	.	H	α-helix	trans	-65.4	-42.4	177.4	-160.3	69.1	-155.4	0	0	111.7	P24 S25 L120 Q121 S126 L127	P24-E124 WeakPolarHBondContact CD-OE2 3.39Å; S25-E124 VanDerWaalsContact CB-OE1 3.29Å; S25-E124 WeakPolarHBondContact CB-OE1 3.41Å; S25-E124 PolarHBondContact N-OE2 3.33Å; S25-E124 PolarHBondContact OG-OE1 2.87Å; S25-E124 PolarHBondContact OG-OE2 3.31Å; L120-E124 PolarHBondContact O-N 3.4Å; Q121-E124 PolarHBondContact O-N 3.03Å; E124-S126 VanDerWaalsContact C-N 3.28Å; E124-S126 PolarHBondContact O-N 3.5Å; E124-L127 PolarHBondContact O-N 2.69Å
125	N	70.6	Confident	65.3	Low	76 Å²	76	90.8 Å²	90.8	41%	0.406	45%	0.45	S	S	.	.	H	α-helix	trans	-69.9	-21.7	-179.5	-73.9	-34.2	0	0	0	113.8	Q121 S122 L127 L128	Q121-N125 WeakPolarHBondContact O-CB 3.31Å; Q121-N125 VanDerWaalsContact O-CG 3.25Å; Q121-N125 PolarHBondContact O-N 3.09Å; Q121-N125 PolarHBondContact O-ND2 3.24Å; Q121-N125 VanDerWaalsContact O-ND2 3.11Å; S122-N125 PolarHBondContact O-N 2.9Å; N125-L127 PolarHBondContact O-N 3.23Å; N125-L128 PolarHBondContact O-N 2.97Å
126	S	70.5	Confident	63.3	Low	65 Å²	65	94.5 Å²	94.5	46%	0.455	46%	0.461	S	S	.	.	H	α-helix	trans	-60.2	-30.3	178.8	74	0	0	0	0	113	S122 L123 E124	S122-S126 PolarHBondContact O-N 3.03Å; S122-S126 VanDerWaalsContact O-N 3.11Å; L123-S126 PolarHBondContact O-N 3.29Å; L123-S126 PolarHBondContact O-OG 3.22Å; E124-S126 VanDerWaalsContact C-N 3.28Å; E124-S126 PolarHBondContact O-N 3.5Å
127	L	56.8	Low	60.8	Low	106 Å²	106	104 Å²	104	56%	0.555	50%	0.502	S	S	*	.	H	α-helix	trans	-68.9	-30.9	174.7	-74.9	177.2	0	0	0	113.2	T23 E124 N125	T23-L127 HydrophobicContact CG2-CD1 3.33Å; T23-L127 HydrophobicContact CG2-CD2 4.32Å; T23-L127 HydrophobicContact CG2-CG 3.56Å; E124-L127 PolarHBondContact O-N 2.69Å; N125-L127 PolarHBondContact O-N 3.23Å
128	L	51.6	Low	58.4	Low	118 Å²	118	111.6 Å²	111.6	62%	0.618	54%	0.542	S	S	*	.	H	α-helix	trans	-80.6	-17.8	-176.6	-61.5	178.2	0	0	0	113.2	N125	N125-L128 PolarHBondContact O-N 2.97Å
129	L	50.6	Low	56.5	Low	106 Å²	106	114.5 Å²	114.5	56%	0.555	56%	0.56	S	S	*	*	H	α-helix	trans	-91.1	-25	178.2	-72.9	166.4	0	0	0	113.1	D131 R132 Q133	L129-D131 PolarHBondContact O-N 2.84Å; L129-R132 PolarHBondContact O-N 2.83Å; L129-R132 VanDerWaalsContact O-N 3.16Å; L129-Q133 PolarHBondContact O-N 2.85Å
130	G	42.2	Very low	53.8	Low	57 Å²	57	119.3 Å²	119.3	59%	0.588	58%	0.583	S	S	*	*	H	α-helix	trans	-59.7	-30.4	178.9	0	0	0	0	0	113.7
131	D	39.5	Very low	51.1	Low	145 Å²	145	124.9 Å²	124.9	78%	0.775	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-16.5	-179.1	-132	-0.2	0	0	0	113.4	L129	L129-D131 PolarHBondContact O-N 2.84Å
132	R	46.2	Very low	48.7	Very low	158 Å²	158	129.1 Å²	129.1	60%	0.596	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-23.7	-178	-81.3	-179.4	156.4	-177.2	-4.3	113.9	L129 R134 K135 S467	L129-R132 PolarHBondContact O-N 2.83Å; L129-R132 VanDerWaalsContact O-N 3.16Å; R132-R134 VanDerWaalsContact C-N 3.27Å; R132-R134 PolarHBondContact O-N 3.11Å; R132-K135 PolarHBondContact O-N 3.29Å; R132-S467 PolarHBondContact NH2-OG 3.08Å
133	Q	40.1	Very low	46	Very low	156 Å²	156	130.6 Å²	130.6	73%	0.729	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-19.1	-177.5	-79.6	179.9	-18.3	0	0	113.8	L129 K135	L129-Q133 PolarHBondContact O-N 2.85Å; Q133-K135 VanDerWaalsContact C-N 3.32Å; Q133-K135 PolarHBondContact O-N 3.19Å
134	R	38	Very low	43.5	Very low	243 Å²	243	133 Å²	133	92%	0.917	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-13.6	177.7	-136.7	173.8	-175	-179.7	0.9	114	R132	R132-R134 VanDerWaalsContact C-N 3.27Å; R132-R134 PolarHBondContact O-N 3.11Å
135	K	38.3	Very low	41.1	Very low	197 Å²	197	137.7 Å²	137.7	86%	0.857	73%	0.725	S	S	*	*	S	Bend	trans	-112	-3.6	-175.6	-149.1	172.4	-176.1	174.5	0	114.9	R132 Q133	R132-K135 PolarHBondContact O-N 3.29Å; Q133-K135 VanDerWaalsContact C-N 3.32Å; Q133-K135 PolarHBondContact O-N 3.19Å
136	R	41.6	Very low	39	Very low	186 Å²	186	137.5 Å²	137.5	70%	0.702	74%	0.741	S	S	*	*	S	Bend	trans	-107.9	17.7	-173.5	-146.6	177.8	-176.2	163.3	0.7	115.2	E140	R136-E140 IonicContact NH2-OE1 3.72Å
137	K	31.8	Very low	37.3	Very low	200 Å²	200	144.2 Å²	144.2	87%	0.87	76%	0.762	S	S	*	*	S	Bend	trans	-100.6	20.5	-179.3	-131.1	-179	-173.4	-176.5	0	115.2
138	L	36.3	Very low	36	Very low	165 Å²	165	146.6 Å²	146.6	86%	0.864	77%	0.774	S	S	*	*	S	Bend	trans	-135.8	10.4	-177.2	-97.5	164.7	0	0	0	116.7
139	L	40.6	Very low	34.8	Very low	160 Å²	160	148.3 Å²	148.3	84%	0.838	78%	0.783	S	S	*	*	S	Bend	trans	-155.6	74.7	174.3	-95.8	138.1	0	0	0	110.2
140	E	27.4	Very low	34.1	Very low	155 Å²	155	153.6 Å²	153.6	72%	0.724	80%	0.802	S	S	*	*			trans	-159.4	79.4	162.2	-114.7	161.8	-152.6	0	0	108.3	R136	R136-E140 IonicContact NH2-OE1 3.72Å
141	S	26.9	Very low	33.6	Very low	116 Å²	116	158 Å²	158	81%	0.811	81%	0.812	S	S	*	*			trans	-150.8	77.3	162.3	168.6	0	0	0	0	107.6
142	S	30.3	Very low	33.3	Very low	120 Å²	120	158.2 Å²	158.2	84%	0.839	81%	0.813	S	S	*	*			trans	169.3	97.4	151.4	36.9	0	0	0	0	109.9
143	A	27.2	Very low	33.3	Very low	107 Å²	107	158.3 Å²	158.3	88%	0.884	83%	0.826	S	S	*	*			trans	-171.5	89.3	144.2	0	0	0	0	0	107.5
144	A	29	Very low	33.5	Very low	94 Å²	94	153.1 Å²	153.1	78%	0.777	81%	0.813	S	S	*	*			trans	-89.8	145.5	164.6	0	0	0	0	0	109.4
145	D	27.5	Very low	34.2	Very low	161 Å²	161	146.5 Å²	146.5	86%	0.861	80%	0.8	S	S	*	*			trans	57.6	108.1	153.3	-89.4	-30.3	0	0	0	120.4
146	G	27.8	Very low	35.3	Very low	72 Å²	72	137.6 Å²	137.6	74%	0.742	76%	0.763	S	S	*	*			trans	-142.3	84.2	153	0	0	0	0	0	109.2	L148	G146-L148 PolarHBondContact O-N 3.36Å
147	K	34.2	Very low	36.3	Very low	207 Å²	207	135 Å²	135	90%	0.9	77%	0.768	S	S	*	*			trans	-58.7	115.2	162.5	-100.5	178.1	175.6	173.7	0	108.2
148	L	28.6	Very low	38.2	Very low	156 Å²	156	126.9 Å²	126.9	82%	0.817	74%	0.741	S	S	*	*			trans	-131.6	110.9	165.5	-100.7	164.9	0	0	0	110.3	G146	G146-L148 PolarHBondContact O-N 3.36Å
149	L	27.2	Very low	40.6	Very low	153 Å²	153	119.5 Å²	119.5	80%	0.801	70%	0.703	S	S	*	*			trans	18.9	115.2	146.2	-61.1	166.8	0	0	0	117.3	D151	L149-D151 PolarHBondContact O-N 3.26Å
150	K	35.3	Very low	43	Very low	217 Å²	217	112 Å²	112	94%	0.943	66%	0.664	S	S	*	*			trans	-66.1	112.6	164.8	-163.4	179.4	-172.4	-175.7	0	107.9
151	D	31.6	Very low	46.1	Very low	149 Å²	149	104.7 Å²	104.7	80%	0.797	63%	0.63	S	S	*	*			trans	-125.8	147.4	170.2	-142.4	-2.8	0	0	0	110.5	L149	L149-D151 PolarHBondContact O-N 3.26Å
152	N	34.3	Very low	49.2	Very low	151 Å²	151	99.1 Å²	99.1	81%	0.807	59%	0.591	S	S	*	*			trans	-41.7	147.3	-151.3	-87.1	-36.9	0	0	0	120.7	G154	N152-G154 PolarHBondContact O-N 3.35Å
153	D	44.8	Very low	52	Low	160 Å²	160	98.8 Å²	98.8	86%	0.856	57%	0.572	S	S	*	*			trans	-54.1	93.1	166	-113.1	-20.3	0	0	0	111.2	V155	D153-V155 PolarHBondContact O-N 3.45Å
154	G	46	Very low	54.8	Low	46 Å²	46	95.9 Å²	95.9	47%	0.474	54%	0.541	S	S	.	.			trans	-85.8	66.7	176.2	0	0	0	0	0	112.4	N152 A156	N152-G154 PolarHBondContact O-N 3.35Å; G154-A156 PolarHBondContact O-N 3.16Å
155	V	52	Low	57.2	Low	104 Å²	104	92.4 Å²	92.4	63%	0.63	51%	0.51	S	S	*	.	B	Isolated β-bridge	trans	-62.2	118.4	170.2	-179.6	0	0	0	0	108.2	D153 V157	D153-V155 PolarHBondContact O-N 3.45Å; V155-V157 PolarHBondContact O-N 2.9Å
156	A	60.8	Low	59.5	Low	10 Å²	10	85.2 Å²	85.2	8%	0.083	47%	0.473	C	S	.	.			trans	-65.4	91	175.4	0	0	0	0	0	110	G154 G158 A159 Y485 V492	G154-A156 PolarHBondContact O-N 3.16Å; A156-G158 PolarHBondContact O-N 3.35Å; A156-G158 VanDerWaalsContact O-N 3.11Å; A156-A159 HydrophobicContact CB-CB 4.01Å; A156-A159 PolarHBondContact O-N 3.03Å; A156-Y485 HydrophobicContact CB-CD1 3.6Å; A156-Y485 HydrophobicContact CB-CE1 3.58Å; A156-V492 HydrophobicContact CB-CB 4.3Å; A156-V492 HydrophobicContact CB-CG1 3.78Å
157	V	62.2	Low	62.2	Low	133 Å²	133	82.8 Å²	82.8	81%	0.806	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	116.8	-178.5	-176.2	0	0	0	0	109.1	V155	V155-V157 PolarHBondContact O-N 2.9Å
158	G	72.9	Confident	64.9	Low	29 Å²	29	73.1 Å²	73.1	30%	0.299	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	98	-24.4	176.6	0	0	0	0	0	116.2	A156 W231 G233	A156-G158 PolarHBondContact O-N 3.35Å; A156-G158 VanDerWaalsContact O-N 3.11Å; G158-W231 WeakPolarHBondContact O-CA 3.49Å; G158-G233 PolarHBondContact O-N 3.42Å
159	A	85.9	Confident	68	Low	10 Å²	10	66 Å²	66	8%	0.083	37%	0.365	C	S	.	.			trans	-87.1	134.4	-179.4	0	0	0	0	0	111.9	A156 W231 Y485 F487 V492	A156-A159 HydrophobicContact CB-CB 4.01Å; A156-A159 PolarHBondContact O-N 3.03Å; A159-W231 HydrophobicContact CB-CE3 4.17Å; A159-W231 HydrophobicContact CB-CH2 3.89Å; A159-W231 HydrophobicContact CB-CZ3 3.56Å; A159-Y485 HydrophobicContact CB-CD1 4.3Å; A159-Y485 HydrophobicContact CB-CE1 4.4Å; A159-F487 HydrophobicContact CB-CE1 4.47Å; A159-V492 HydrophobicContact CB-CG1 3.86Å
160	T	92.1	Very high	71.2	Confident	3 Å²	3	59.1 Å²	59.1	2%	0.018	33%	0.329	C	S	.	.			trans	-115.1	133.1	-176.2	-49.1	0	0	0	0	111.8	Q176 L230 Q235 F238	T160-Q176 PolarHBondContact O-NE2 2.85Å; T160-L230 VanDerWaalsContact CB-O 3.26Å; T160-L230 WeakPolarHBondContact CB-O 3.31Å; T160-L230 PolarHBondContact N-O 2.7Å; T160-L230 WeakPolarHBondContact O-CD2 3.5Å; T160-L230 PolarHBondContact OG1-O 3.28Å; T160-Q235 VanDerWaalsContact CG2-O 3.26Å; T160-Q235 WeakPolarHBondContact CG2-O 3.49Å; T160-Q235 PolarHBondContact OG1-O 2.87Å; T160-F238 HydrophobicContact CG2-CD1 3.56Å; T160-F238 HydrophobicContact CG2-CE1 4.01Å
161	G	92.4	Very high	74	Confident	0 Å²	0	49 Å²	49	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	163.7	174.1	0	0	0	0	0	113.5	T236 A237 F238 D489	G161-T236 PolarHBondContact N-O 3.19Å; G161-A237 WeakPolarHBondContact O-CA 3.14Å; G161-A237 WeakPolarHBondContact O-CB 3.31Å; G161-F238 PolarHBondContact O-N 2.72Å; G161-F238 VanDerWaalsContact O-N 3.1Å; G161-D489 CarbonylContact C-O 3.54Å; G161-D489 VanDerWaalsContact CA-O 3.23Å; G161-D489 WeakPolarHBondContact CA-O 3.39Å
162	L	92.3	Very high	77.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.1	173.4	-67.8	174.9	0	0	0	110	N164 N172 L175 Q176 L230 F238 P240 D489 S490	L162-N164 PolarHBondContact O-N 2.69Å; L162-N172 HydrophobicContact CB-CB 4.07Å; L162-N172 HydrophobicContact CD1-CB 4.13Å; L162-L175 HydrophobicContact CD1-CB 3.89Å; L162-L175 HydrophobicContact CD1-CD1 4.02Å; L162-Q176 HydrophobicContact CD1-CG 4.17Å; L162-L230 HydrophobicContact CD1-CD2 4.29Å; L162-L230 HydrophobicContact CD2-CD2 3.74Å; L162-L230 HydrophobicContact CG-CD2 3.86Å; L162-F238 WeakPolarHBondContact CA-O 3.39Å; L162-F238 HydrophobicContact CD2-CD2 4.49Å; L162-F238 HydrophobicContact CD2-CE1 3.99Å; L162-F238 HydrophobicContact CD2-CE2 3.96Å; L162-F238 HydrophobicContact CD2-CZ 3.67Å; L162-P240 HydrophobicContact CD2-CG 4.09Å; L162-D489 PolarHBondContact N-O 3.37Å; L162-D489 CarbonylContact O-C 3.5Å; L162-D489 WeakPolarHBondContact O-CA 3.47Å; L162-D489 WeakPolarHBondContact O-CB 3.34Å; L162-D489 VanDerWaalsContact O-O 3.12Å; L162-S490 PolarHBondContact O-N 3.02Å
163	R	87.7	Confident	80.1	Confident	113 Å²	113	35.1 Å²	35.1	43%	0.426	21%	0.211	S	C	.	.			trans	-66.1	133.9	179.2	-66.8	178	-173.7	-86.7	-4.6	110.5	L165 A237 F238 S239 S490	R163-L165 PolarHBondContact O-N 2.92Å; R163-A237 HydrophobicContact CG-CB 4.14Å; R163-A237 PolarHBondContact NE-O 3.25Å; R163-A237 VanDerWaalsContact NE-O 3.12Å; R163-A237 PolarHBondContact NH2-O 3.33Å; R163-F238 PolarHBondContact N-O 3.34Å; R163-S239 WeakPolarHBondContact CB-OG 3.49Å; R163-S239 WeakPolarHBondContact CD-OG 3.4Å; R163-S490 WeakPolarHBondContact CA-OG 3.35Å
164	N	85.6	Confident	82.7	Confident	45 Å²	45	27.5 Å²	27.5	24%	0.241	17%	0.17	C	C	.	.			trans	-79.2	118.3	173.6	-163.8	-16	0	0	0	109.2	L162 G166 T168 D489	L162-N164 PolarHBondContact O-N 2.69Å; N164-G166 PolarHBondContact ND2-O 2.92Å; N164-G166 PolarHBondContact O-N 3.41Å; N164-G166 PolarHBondContact OD1-N 3.31Å; N164-G166 VanDerWaalsContact OD1-N 3.1Å; N164-G166 PolarHBondContact OD1-O 3.19Å; N164-T168 WeakPolarHBondContact CA-OG1 3.2Å; N164-T168 PolarHBondContact OD1-N 3.23Å; N164-T168 PolarHBondContact OD1-OG1 2.59Å; N164-D489 HydrophobicContact CB-CB 4.02Å; N164-D489 WeakPolarHBondContact CB-OD2 3.42Å; N164-D489 PolarHBondContact ND2-OD2 3.02Å
165	L	79.1	Confident	85.1	Confident	22 Å²	22	25.4 Å²	25.4	12%	0.115	15%	0.148	C	C	.	.			trans	-89.6	20.5	179.3	-54	177.1	0	0	0	112.1	Q114 R117 R163 T168 Y257	Q114-L165 VanDerWaalsContact OE1-C 3.32Å; Q114-L165 PolarHBondContact OE1-O 3.18Å; R117-L165 PolarHBondContact NH1-O 3.24Å; R163-L165 PolarHBondContact O-N 2.92Å; L165-T168 HydrophobicContact CB-CG2 3.92Å; L165-T168 PolarHBondContact N-OG1 2.83Å; L165-Y257 HydrophobicContact CB-CD1 4.48Å; L165-Y257 HydrophobicContact CB-CE1 3.9Å; L165-Y257 WeakPolarHBondContact O-CD1 3.43Å; L165-Y257 WeakPolarHBondContact O-CE1 3.16Å
166	G	76.1	Confident	87.2	Confident	10 Å²	10	20.6 Å²	20.6	10%	0.103	12%	0.119	C	C	.	.	S	Bend	trans	131.5	-94.3	-176.4	0	0	0	0	0	111.1	N164	N164-G166 PolarHBondContact ND2-O 2.92Å; N164-G166 PolarHBondContact O-N 3.41Å; N164-G166 PolarHBondContact OD1-N 3.31Å; N164-G166 VanDerWaalsContact OD1-N 3.1Å; N164-G166 PolarHBondContact OD1-O 3.19Å
167	N	85.4	Confident	89	Confident	20 Å²	20	20.1 Å²	20.1	11%	0.107	12%	0.115	C	C	.	.	S	Bend	trans	-113.1	42.2	177.2	-71.1	-46.7	0	0	0	111.4	Q121 F170 Y257 Q259	Q121-N167 PolarHBondContact NE2-ND2 3.34Å; Q121-N167 VanDerWaalsContact NE2-ND2 3.13Å; N167-F170 WeakPolarHBondContact O-CD1 3.39Å; N167-F170 WeakPolarHBondContact O-CE1 3.35Å; N167-Y257 WeakPolarHBondContact CB-O 3.42Å; N167-Y257 PolarHBondContact ND2-O 3.32Å; N167-Q259 HydrophobicContact CB-CG 3.97Å; N167-Q259 PolarHBondContact OD1-NE2 3.1Å
168	T	90.1	Very high	90.7	Very high	4 Å²	4	13.8 Å²	13.8	3%	0.025	8%	0.077	C	C	.	.			trans	-95	3	-175.5	57.5	0	0	0	0	114	N164 L165 F170 M171 N172 F244 Y257	N164-T168 WeakPolarHBondContact CA-OG1 3.2Å; N164-T168 PolarHBondContact OD1-N 3.23Å; N164-T168 PolarHBondContact OD1-OG1 2.59Å; L165-T168 HydrophobicContact CB-CG2 3.92Å; L165-T168 PolarHBondContact N-OG1 2.83Å; T168-F170 VanDerWaalsContact C-N 3.26Å; T168-F170 PolarHBondContact O-N 3.16Å; T168-M171 WeakPolarHBondContact O-CB 3.34Å; T168-M171 PolarHBondContact O-N 3.21Å; T168-N172 PolarHBondContact O-N 2.87Å; T168-F244 HydrophobicContact CG2-CD2 4.26Å; T168-F244 HydrophobicContact CG2-CE2 3.51Å; T168-F244 HydrophobicContact CG2-CZ 3.84Å; T168-Y257 HydrophobicContact CG2-CD1 4.28Å
169	C	93.8	Very high	91.7	Very high	8 Å²	8	12.5 Å²	12.5	5%	0.054	6%	0.063	C	C	.	.	H	α-helix	trans	-59.6	-32.8	-177	58.5	0	0	0	0	113.6	M171 N172 A173 H473 D489	C169-M171 VanDerWaalsContact C-N 3.3Å; C169-M171 PolarHBondContact O-N 3.02Å; C169-N172 PolarHBondContact O-N 3.37Å; C169-A173 WeakPolarHBondContact O-CB 3.41Å; C169-A173 PolarHBondContact O-N 3.01Å; C169-H473 VanDerWaalsContact CB-CE1 3.41Å; C169-H473 WeakPolarHBondContact CB-CE1 3.22Å; C169-H473 WeakPolarHBondContact CB-ND1 3.49Å; C169-H473 PolarHBondContact SG-ND1 3.43Å; C169-H473 VanDerWaalsContact SG-ND1 3.37Å; C169-D489 WeakPolarHBondContact CA-OD1 3.12Å
170	F	94.9	Very high	92.1	Very high	8 Å²	8	12.2 Å²	12.2	4%	0.035	6%	0.06	C	C	.	.	H	α-helix	trans	-60.5	-39.9	174	74.2	-87.2	0	0	0	111.7	N167 T168 I174 F254 Q260 A262 F265 Y474	N167-F170 WeakPolarHBondContact O-CD1 3.39Å; N167-F170 WeakPolarHBondContact O-CE1 3.35Å; T168-F170 VanDerWaalsContact C-N 3.26Å; T168-F170 PolarHBondContact O-N 3.16Å; F170-I174 WeakPolarHBondContact O-CG1 3.48Å; F170-I174 PolarHBondContact O-N 2.82Å; F170-F254 AromaticContact CE2-CD1 3.85Å; F170-F254 HydrophobicContact CE2-CD1 3.85Å; F170-F254 HydrophobicContact CE2-CE1 4.15Å; F170-F254 HydrophobicContact CZ-CD1 4.1Å; F170-Q260 HydrophobicContact CD1-CB 4Å; F170-Q260 HydrophobicContact CD2-CB 3.99Å; F170-Q260 HydrophobicContact CE1-CB 3.72Å; F170-Q260 HydrophobicContact CE1-CG 3.95Å; F170-Q260 HydrophobicContact CE2-CB 3.71Å; F170-Q260 HydrophobicContact CE2-CG 4.31Å; F170-Q260 HydrophobicContact CG-CB 4.13Å; F170-Q260 HydrophobicContact CZ-CB 3.58Å; F170-Q260 HydrophobicContact CZ-CG 3.76Å; F170-A262 HydrophobicContact CB-CB 4.07Å; F170-F265 HydrophobicContact CD2-CB 3.61Å; F170-F265 HydrophobicContact CD2-CD1 4.15Å; F170-F265 AromaticContact CD2-CG 3.82Å; F170-F265 HydrophobicContact CD2-CG 3.82Å; F170-F265 HydrophobicContact CE2-CB 3.63Å; F170-F265 HydrophobicContact CE2-CD1 4.26Å; F170-F265 AromaticContact CE2-CD2 3.89Å; F170-F265 HydrophobicContact CE2-CD2 3.89Å; F170-F265 AromaticContact CE2-CG 3.63Å; F170-F265 HydrophobicContact CE2-CG 3.63Å; F170-Y474 HydrophobicContact CB-CD2 3.56Å; F170-Y474 HydrophobicContact CB-CE2 3.83Å; F170-Y474 HydrophobicContact CB-CG 4.21Å
171	M	95.1	Very high	92.2	Very high	4 Å²	4	12.1 Å²	12.1	2%	0.02	6%	0.059	C	C	.	.	H	α-helix	trans	-72	-47.4	176.7	-56.5	174.8	69.6	0	0	110.4	T168 C169 A173 I174 L175 F244 I247 F265	T168-M171 WeakPolarHBondContact O-CB 3.34Å; T168-M171 PolarHBondContact O-N 3.21Å; C169-M171 VanDerWaalsContact C-N 3.3Å; C169-M171 PolarHBondContact O-N 3.02Å; M171-A173 VanDerWaalsContact C-N 3.29Å; M171-A173 PolarHBondContact O-N 2.84Å; M171-I174 PolarHBondContact O-N 2.74Å; M171-I174 VanDerWaalsContact O-N 3.12Å; M171-L175 VanDerWaalsContact O-CG 3.28Å; M171-L175 WeakPolarHBondContact O-CG 3.43Å; M171-L175 PolarHBondContact O-N 2.76Å; M171-F244 HydrophobicContact CE-CD2 3.69Å; M171-F244 HydrophobicContact CE-CE2 4.16Å; M171-F244 HydrophobicContact SD-CD2 3.63Å; M171-F244 HydrophobicContact SD-CE2 3.5Å; M171-F244 VanDerWaalsContact SD-CE2 3.5Å; M171-I247 HydrophobicContact CE-CB 4.22Å; M171-I247 HydrophobicContact CE-CD1 3.26Å; M171-I247 HydrophobicContact CE-CG1 4.3Å; M171-I247 HydrophobicContact CE-CG2 3.87Å; M171-F265 HydrophobicContact CB-CD1 4.25Å; M171-F265 HydrophobicContact CB-CE1 3.78Å; M171-F265 HydrophobicContact CB-CZ 4.02Å; M171-F265 HydrophobicContact CE-CE2 3.65Å; M171-F265 HydrophobicContact CE-CZ 3.65Å; M171-F265 HydrophobicContact CG-CD1 4.06Å; M171-F265 HydrophobicContact CG-CD2 4.18Å; M171-F265 HydrophobicContact CG-CE1 3.87Å; M171-F265 HydrophobicContact CG-CE2 4.01Å; M171-F265 HydrophobicContact CG-CG 4.22Å; M171-F265 HydrophobicContact CG-CZ 3.85Å; M171-F265 HydrophobicContact SD-CE2 4.46Å
172	N	96.1	Very high	92.2	Very high	6 Å²	6	16.7 Å²	16.7	3%	0.032	8%	0.08	C	C	.	.	H	α-helix	trans	-56.9	-44.9	-178.6	-67.4	-15.3	0	0	0	111.3	L162 T168 C169 I174 L175 Q176 D489	L162-N172 HydrophobicContact CB-CB 4.07Å; L162-N172 HydrophobicContact CD1-CB 4.13Å; T168-N172 PolarHBondContact O-N 2.87Å; C169-N172 PolarHBondContact O-N 3.37Å; N172-I174 PolarHBondContact O-N 2.71Å; N172-L175 PolarHBondContact O-N 2.82Å; N172-Q176 WeakPolarHBondContact O-CB 3.36Å; N172-Q176 WeakPolarHBondContact O-CG 3.39Å; N172-Q176 PolarHBondContact O-N 2.82Å; N172-D489 PolarHBondContact ND2-OD1 2.67Å
173	A	97.8	Very high	92	Very high	3 Å²	3	20.6 Å²	20.6	3%	0.025	10%	0.099	C	C	.	.	H	α-helix	trans	-61.5	-41.5	177.9	0	0	0	0	0	112.5	C169 M171 S177 V462 A476	C169-A173 WeakPolarHBondContact O-CB 3.41Å; C169-A173 PolarHBondContact O-N 3.01Å; M171-A173 VanDerWaalsContact C-N 3.29Å; M171-A173 PolarHBondContact O-N 2.84Å; A173-S177 WeakPolarHBondContact O-CB 3.48Å; A173-S177 PolarHBondContact O-N 2.95Å; A173-S177 PolarHBondContact O-OG 2.88Å; A173-V462 HydrophobicContact CB-CG1 4.08Å; A173-A476 HydrophobicContact CB-CB 4.16Å; A173-A476 WeakPolarHBondContact O-CB 3.49Å
174	I	98.1	Very high	92.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-68.3	-46.4	176.3	-65	-57.2	0	0	0	111.5	F170 M171 N172 Q176 S177 L178 A262 F265 M266 L269 V462 I507	F170-I174 WeakPolarHBondContact O-CG1 3.48Å; F170-I174 PolarHBondContact O-N 2.82Å; M171-I174 PolarHBondContact O-N 2.74Å; M171-I174 VanDerWaalsContact O-N 3.12Å; N172-I174 PolarHBondContact O-N 2.71Å; I174-Q176 VanDerWaalsContact C-N 3.33Å; I174-Q176 PolarHBondContact O-N 2.9Å; I174-S177 PolarHBondContact O-N 2.75Å; I174-L178 HydrophobicContact CG2-CD1 3.8Å; I174-L178 HydrophobicContact CG2-CG 4.19Å; I174-L178 WeakPolarHBondContact O-CB 3.14Å; I174-L178 WeakPolarHBondContact O-CG 3.48Å; I174-L178 PolarHBondContact O-N 2.77Å; I174-A262 HydrophobicContact CD1-CB 4.2Å; I174-A262 HydrophobicContact CG1-CB 4.14Å; I174-A262 WeakPolarHBondContact CG1-O 3.35Å; I174-F265 HydrophobicContact CB-CD1 4Å; I174-F265 HydrophobicContact CB-CE1 4.07Å; I174-F265 HydrophobicContact CG1-CD1 4.02Å; I174-F265 HydrophobicContact CG2-CD1 4.16Å; I174-F265 HydrophobicContact CG2-CE1 4.1Å; I174-M266 HydrophobicContact CD1-CB 3.9Å; I174-M266 HydrophobicContact CD1-CG 4.35Å; I174-M266 HydrophobicContact CD1-SD 4.39Å; I174-M266 HydrophobicContact CG1-CB 4.16Å; I174-M266 HydrophobicContact CG2-CB 3.99Å; I174-M266 HydrophobicContact CG2-CG 4.16Å; I174-L269 HydrophobicContact CG2-CD2 4.33Å; I174-V462 HydrophobicContact CD1-CG2 3.94Å; I174-I507 HydrophobicContact CD1-CD1 3.81Å
175	L	97.1	Very high	92.6	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-60.7	-43	179.6	-67.1	175.9	0	0	0	111.5	L162 M171 N172 S179 F223 L243 L269	L162-L175 HydrophobicContact CD1-CB 3.89Å; L162-L175 HydrophobicContact CD1-CD1 4.02Å; M171-L175 VanDerWaalsContact O-CG 3.28Å; M171-L175 WeakPolarHBondContact O-CG 3.43Å; M171-L175 PolarHBondContact O-N 2.76Å; N172-L175 PolarHBondContact O-N 2.82Å; L175-S179 VanDerWaalsContact O-CB 3.3Å; L175-S179 WeakPolarHBondContact O-CB 3.39Å; L175-S179 PolarHBondContact O-N 3.03Å; L175-F223 HydrophobicContact CD2-CD2 3.9Å; L175-F223 HydrophobicContact CD2-CE2 3.59Å; L175-L243 HydrophobicContact CD1-CD2 3.82Å; L175-L243 HydrophobicContact CD2-CD2 3.89Å; L175-L269 HydrophobicContact CD2-CD2 4.18Å
176	Q	96.9	Very high	93.1	Very high	3 Å²	3	14.4 Å²	14.4	1%	0.014	8%	0.078	C	C	.	.	H	α-helix	trans	-65.2	-43.6	175.3	-67.9	-72	19.5	0	0	111.3	T160 L162 N172 I174 S179 N180 A476 F487	T160-Q176 PolarHBondContact O-NE2 2.85Å; L162-Q176 HydrophobicContact CD1-CG 4.17Å; N172-Q176 WeakPolarHBondContact O-CB 3.36Å; N172-Q176 WeakPolarHBondContact O-CG 3.39Å; N172-Q176 PolarHBondContact O-N 2.82Å; I174-Q176 VanDerWaalsContact C-N 3.33Å; I174-Q176 PolarHBondContact O-N 2.9Å; Q176-S179 WeakPolarHBondContact O-CB 3.3Å; Q176-S179 PolarHBondContact O-N 3.49Å; Q176-N180 PolarHBondContact O-N 3.26Å; Q176-N180 PolarHBondContact O-ND2 2.86Å; Q176-A476 HydrophobicContact CB-CB 4.46Å; Q176-F487 HydrophobicContact CB-CB 4.04Å; Q176-F487 HydrophobicContact CB-CD1 4.23Å; Q176-F487 HydrophobicContact CB-CD2 4.15Å; Q176-F487 HydrophobicContact CB-CG 3.88Å; Q176-F487 VanDerWaalsContact CD-CD1 3.41Å; Q176-F487 HydrophobicContact CG-CB 3.9Å; Q176-F487 HydrophobicContact CG-CD1 3.95Å; Q176-F487 HydrophobicContact CG-CG 3.94Å
177	S	97.8	Very high	93.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.7	-48.5	177.3	-58.4	0	0	0	0	111.8	A173 I174 S179 N180 I181 V462	A173-S177 WeakPolarHBondContact O-CB 3.48Å; A173-S177 PolarHBondContact O-N 2.95Å; A173-S177 PolarHBondContact O-OG 2.88Å; I174-S177 PolarHBondContact O-N 2.75Å; S177-S179 VanDerWaalsContact C-N 3.29Å; S177-S179 PolarHBondContact O-N 3.22Å; S177-N180 PolarHBondContact O-N 3.37Å; S177-I181 WeakPolarHBondContact O-CG1 3.44Å; S177-V462 WeakPolarHBondContact OG-CG2 3.27Å
178	L	97	Very high	93.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65.2	-31.1	178.4	-67.2	177.3	0	0	0	112.8	I174 N180 I181 F184 F223 L269 F316 F509	I174-L178 HydrophobicContact CG2-CD1 3.8Å; I174-L178 HydrophobicContact CG2-CG 4.19Å; I174-L178 WeakPolarHBondContact O-CB 3.14Å; I174-L178 WeakPolarHBondContact O-CG 3.48Å; I174-L178 PolarHBondContact O-N 2.77Å; L178-N180 VanDerWaalsContact C-N 3.31Å; L178-N180 PolarHBondContact O-N 3.28Å; L178-I181 HydrophobicContact CD2-CD1 4.09Å; L178-I181 PolarHBondContact O-N 2.74Å; L178-F184 HydrophobicContact CB-CD1 4.17Å; L178-F184 HydrophobicContact CB-CE1 4.17Å; L178-F184 HydrophobicContact CD1-CE1 4.16Å; L178-F184 HydrophobicContact CD2-CD1 4.24Å; L178-F184 HydrophobicContact CD2-CE1 4.17Å; L178-F184 HydrophobicContact CG-CE1 4.4Å; L178-F223 HydrophobicContact CB-CZ 4.4Å; L178-F223 HydrophobicContact CD1-CE2 4.48Å; L178-F223 HydrophobicContact CD1-CZ 4.2Å; L178-L269 HydrophobicContact CD1-CD2 3.82Å; L178-F316 HydrophobicContact CD2-CE2 4.41Å; L178-F316 HydrophobicContact CD2-CZ 3.79Å; L178-F509 HydrophobicContact CD2-CE1 4.24Å; L178-F509 HydrophobicContact CD2-CZ 4.45Å
179	S	95.3	Very high	93.7	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.007	10%	0.097	C	C	.	.	H	α-helix	trans	-64.4	-35.1	175.7	-173.6	0	0	0	0	112.8	L175 Q176 S177 I181 S185 L230 W231	L175-S179 VanDerWaalsContact O-CB 3.3Å; L175-S179 WeakPolarHBondContact O-CB 3.39Å; L175-S179 PolarHBondContact O-N 3.03Å; Q176-S179 WeakPolarHBondContact O-CB 3.3Å; Q176-S179 PolarHBondContact O-N 3.49Å; S177-S179 VanDerWaalsContact C-N 3.29Å; S177-S179 PolarHBondContact O-N 3.22Å; S179-I181 VanDerWaalsContact C-N 3.29Å; S179-I181 PolarHBondContact O-N 3.43Å; S179-S185 WeakPolarHBondContact O-CB 3.44Å; S179-S185 PolarHBondContact O-OG 2.83Å; S179-L230 WeakPolarHBondContact OG-CD1 3.48Å; S179-W231 PolarHBondContact OG-NE1 3.12Å
180	N	93.6	Very high	93.2	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.027	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-4.4	179.1	-74.6	-92.7	0	0	0	113.5	Q176 S177 L178 E182 W231 F487	Q176-N180 PolarHBondContact O-N 3.26Å; Q176-N180 PolarHBondContact O-ND2 2.86Å; S177-N180 PolarHBondContact O-N 3.37Å; L178-N180 VanDerWaalsContact C-N 3.31Å; L178-N180 PolarHBondContact O-N 3.28Å; N180-E182 PolarHBondContact O-N 2.98Å; N180-W231 WeakPolarHBondContact OD1-CZ2 3.34Å; N180-F487 WeakPolarHBondContact ND2-CE2 3.35Å; N180-F487 WeakPolarHBondContact ND2-CZ 3.48Å
181	I	94.9	Very high	92.5	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	14%	0.137	C	C	.	.			trans	-93.9	96.5	175.5	-59.9	166.2	0	0	0	108.2	S177 L178 S179 Q183 F184 S185 F316 V408 A459 F509 V511	S177-I181 WeakPolarHBondContact O-CG1 3.44Å; L178-I181 HydrophobicContact CD2-CD1 4.09Å; L178-I181 PolarHBondContact O-N 2.74Å; S179-I181 VanDerWaalsContact C-N 3.29Å; S179-I181 PolarHBondContact O-N 3.43Å; I181-Q183 PolarHBondContact O-N 3.31Å; I181-F184 HydrophobicContact CB-CB 4.23Å; I181-F184 HydrophobicContact CG2-CB 3.85Å; I181-F184 PolarHBondContact O-N 3.11Å; I181-S185 PolarHBondContact O-N 2.96Å; I181-S185 PolarHBondContact O-OG 3.25Å; I181-F316 HydrophobicContact CD1-CE1 4.18Å; I181-F316 HydrophobicContact CD1-CZ 4.07Å; I181-V408 HydrophobicContact CD1-CG1 4.2Å; I181-V408 HydrophobicContact CG2-CB 4.49Å; I181-V408 HydrophobicContact CG2-CG1 4.1Å; I181-V408 HydrophobicContact CG2-CG2 3.73Å; I181-A459 HydrophobicContact CG1-CB 4.46Å; I181-F509 HydrophobicContact CD1-CB 3.85Å; I181-F509 HydrophobicContact CD1-CD1 3.6Å; I181-F509 HydrophobicContact CD1-CD2 4.49Å; I181-F509 HydrophobicContact CD1-CE1 4.22Å; I181-F509 HydrophobicContact CD1-CG 3.73Å; I181-F509 HydrophobicContact CG1-CB 4.43Å; I181-V511 HydrophobicContact CG2-CG2 4.48Å
182	E	91.4	Very high	91.2	Very high	95 Å²	95	33.8 Å²	33.8	44%	0.444	17%	0.17	S	C	.	.	H	α-helix	trans	-60.2	-40.3	-173.3	-67.5	-178.3	174.6	0	0	113.3	N180 F184 S185 C186	N180-E182 PolarHBondContact O-N 2.98Å; E182-F184 PolarHBondContact O-N 3.34Å; E182-S185 PolarHBondContact O-N 3.11Å; E182-C186 VanDerWaalsContact O-CB 3.23Å; E182-C186 WeakPolarHBondContact O-CB 3.42Å; E182-C186 PolarHBondContact O-N 3.45Å; E182-C186 PolarHBondContact O-SG 2.93Å; E182-C186 VanDerWaalsContact O-SG 3.37Å
183	Q	88.8	Confident	89.5	Confident	83 Å²	83	36 Å²	36	39%	0.388	19%	0.189	S	C	.	.	H	α-helix	trans	-58.2	-24.1	177.7	-61.9	77.7	11.1	0	0	112.4	I181 V315 V408	I181-Q183 PolarHBondContact O-N 3.31Å; Q183-V315 HydrophobicContact CB-CG1 4.45Å; Q183-V315 WeakPolarHBondContact O-CG2 3.33Å; Q183-V408 HydrophobicContact CB-CG2 4.38Å
184	F	93.3	Very high	87.5	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-98.7	-51.9	177.5	-172.9	-113.8	0	0	0	111.9	L178 I181 E182 Y187 F188 F223 L270 L273 V311 V312 V315 F316	L178-F184 HydrophobicContact CB-CD1 4.17Å; L178-F184 HydrophobicContact CB-CE1 4.17Å; L178-F184 HydrophobicContact CD1-CE1 4.16Å; L178-F184 HydrophobicContact CD2-CD1 4.24Å; L178-F184 HydrophobicContact CD2-CE1 4.17Å; L178-F184 HydrophobicContact CG-CE1 4.4Å; I181-F184 HydrophobicContact CB-CB 4.23Å; I181-F184 HydrophobicContact CG2-CB 3.85Å; I181-F184 PolarHBondContact O-N 3.11Å; E182-F184 PolarHBondContact O-N 3.34Å; F184-Y187 PolarHBondContact O-N 2.84Å; F184-F188 HydrophobicContact CD1-CE2 4.31Å; F184-F188 AromaticContact CD2-CE2 3.97Å; F184-F188 HydrophobicContact CD2-CE2 3.97Å; F184-F188 HydrophobicContact CE1-CD2 4.37Å; F184-F188 AromaticContact CE1-CE2 3.85Å; F184-F188 HydrophobicContact CE1-CE2 3.85Å; F184-F188 AromaticContact CE2-CE2 3.49Å; F184-F188 HydrophobicContact CE2-CE2 3.49Å; F184-F188 VanDerWaalsContact CE2-CE2 3.49Å; F184-F188 HydrophobicContact CE2-CZ 4.14Å; F184-F188 HydrophobicContact CG-CE2 4.37Å; F184-F188 HydrophobicContact CZ-CD2 4.35Å; F184-F188 AromaticContact CZ-CE2 3.42Å; F184-F188 HydrophobicContact CZ-CE2 3.42Å; F184-F188 VanDerWaalsContact CZ-CE2 3.42Å; F184-F188 AromaticContact CZ-CZ 3.98Å; F184-F188 HydrophobicContact CZ-CZ 3.98Å; F184-F188 WeakPolarHBondContact O-CD2 3.49Å; F184-F223 AromaticContact CE1-CE1 3.64Å; F184-F223 HydrophobicContact CE1-CE1 3.64Å; F184-F223 AromaticContact CE1-CZ 3.71Å; F184-F223 HydrophobicContact CE1-CZ 3.71Å; F184-F223 HydrophobicContact CZ-CE1 4.12Å; F184-F223 HydrophobicContact CZ-CZ 4.47Å; F184-L270 HydrophobicContact CE2-CD2 4.24Å; F184-L270 HydrophobicContact CZ-CD2 3.81Å; F184-L273 HydrophobicContact CZ-CD1 4.08Å; F184-V311 HydrophobicContact CE2-CG1 4.38Å; F184-V312 HydrophobicContact CE2-CG2 4.16Å; F184-V315 HydrophobicContact CB-CG1 4.24Å; F184-F316 HydrophobicContact CB-CE2 4.3Å; F184-F316 HydrophobicContact CB-CZ 4.39Å; F184-F316 HydrophobicContact CD1-CE2 4.32Å; F184-F316 HydrophobicContact CD2-CD2 4.26Å; F184-F316 AromaticContact CD2-CE2 3.46Å; F184-F316 HydrophobicContact CD2-CE2 3.46Å; F184-F316 VanDerWaalsContact CD2-CE2 3.46Å; F184-F316 HydrophobicContact CD2-CZ 4.31Å; F184-F316 HydrophobicContact CE2-CD2 4.35Å; F184-F316 AromaticContact CE2-CE2 3.69Å; F184-F316 HydrophobicContact CE2-CE2 3.69Å; F184-F316 AromaticContact CG-CE2 3.78Å; F184-F316 HydrophobicContact CG-CE2 3.78Å; F184-F316 HydrophobicContact CG-CZ 4.19Å; F184-F316 HydrophobicContact CZ-CE2 4.22Å
185	S	92.5	Very high	84.9	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.007	23%	0.229	C	C	.	.	H	α-helix	trans	-71.8	-34.6	-170.2	76.2	0	0	0	0	112.9	S179 I181 E182 Y187 F188 K189	S179-S185 WeakPolarHBondContact O-CB 3.44Å; S179-S185 PolarHBondContact O-OG 2.83Å; I181-S185 PolarHBondContact O-N 2.96Å; I181-S185 PolarHBondContact O-OG 3.25Å; E182-S185 PolarHBondContact O-N 3.11Å; S185-Y187 VanDerWaalsContact C-N 3.34Å; S185-Y187 PolarHBondContact O-N 2.9Å; S185-F188 PolarHBondContact O-N 2.86Å; S185-K189 WeakPolarHBondContact O-CG 3.48Å; S185-K189 PolarHBondContact O-N 3.34Å
186	C	89.9	Confident	82.1	Confident	49 Å²	49	48.8 Å²	48.8	33%	0.331	27%	0.268	S	S	.	.	H	α-helix	trans	-61.4	-42	177.4	-67.9	0	0	0	0	111.6	E182 F188 K189 E190	E182-C186 VanDerWaalsContact O-CB 3.23Å; E182-C186 WeakPolarHBondContact O-CB 3.42Å; E182-C186 PolarHBondContact O-N 3.45Å; E182-C186 PolarHBondContact O-SG 2.93Å; E182-C186 VanDerWaalsContact O-SG 3.37Å; C186-F188 VanDerWaalsContact C-N 3.31Å; C186-F188 PolarHBondContact O-N 2.96Å; C186-K189 PolarHBondContact O-N 3.5Å; C186-K189 VanDerWaalsContact O-N 3.15Å; C186-E190 WeakPolarHBondContact O-CB 3.36Å; C186-E190 WeakPolarHBondContact O-CG 3.4Å; C186-E190 PolarHBondContact O-N 2.9Å
187	Y	90.1	Very high	79.3	Confident	90 Å²	90	59.3 Å²	59.3	35%	0.353	31%	0.307	S	S	.	.	H	α-helix	trans	-53.2	-48.8	176.1	173.5	-91.2	0	0	0	111.8	F184 S185 E190 L191 L277 V311	F184-Y187 PolarHBondContact O-N 2.84Å; S185-Y187 VanDerWaalsContact C-N 3.34Å; S185-Y187 PolarHBondContact O-N 2.9Å; Y187-E190 PolarHBondContact O-N 3.15Å; Y187-L191 HydrophobicContact CD1-CD1 4.47Å; Y187-L191 HydrophobicContact CE1-CD1 4Å; Y187-L191 HydrophobicContact CE1-CD2 4.12Å; Y187-L191 HydrophobicContact CE1-CG 4.21Å; Y187-L191 WeakPolarHBondContact O-CG 3.15Å; Y187-L191 PolarHBondContact O-N 3.13Å; Y187-L277 HydrophobicContact CE1-CD1 4.32Å; Y187-L277 HydrophobicContact CE1-CD2 4.46Å; Y187-V311 HydrophobicContact CD1-CB 3.71Å; Y187-V311 HydrophobicContact CD1-CG1 3.62Å; Y187-V311 HydrophobicContact CD1-CG2 3.7Å; Y187-V311 HydrophobicContact CD2-CB 4.15Å; Y187-V311 HydrophobicContact CD2-CG2 3.94Å; Y187-V311 HydrophobicContact CE1-CB 3.77Å; Y187-V311 HydrophobicContact CE1-CG1 3.6Å; Y187-V311 HydrophobicContact CE1-CG2 4.28Å; Y187-V311 HydrophobicContact CE2-CB 4.19Å; Y187-V311 HydrophobicContact CE2-CG2 4.48Å; Y187-V311 HydrophobicContact CG-CB 3.91Å; Y187-V311 HydrophobicContact CG-CG1 4.31Å; Y187-V311 HydrophobicContact CG-CG2 3.51Å
188	F	88.3	Confident	76.4	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-68.4	-43.5	179.6	-70.8	-86.5	0	0	0	111.5	F184 S185 C186 E190 L191 V220 F223 R224 L227 L273 L277 V311	F184-F188 HydrophobicContact CD1-CE2 4.31Å; F184-F188 AromaticContact CD2-CE2 3.97Å; F184-F188 HydrophobicContact CD2-CE2 3.97Å; F184-F188 HydrophobicContact CE1-CD2 4.37Å; F184-F188 AromaticContact CE1-CE2 3.85Å; F184-F188 HydrophobicContact CE1-CE2 3.85Å; F184-F188 AromaticContact CE2-CE2 3.49Å; F184-F188 HydrophobicContact CE2-CE2 3.49Å; F184-F188 VanDerWaalsContact CE2-CE2 3.49Å; F184-F188 HydrophobicContact CE2-CZ 4.14Å; F184-F188 HydrophobicContact CG-CE2 4.37Å; F184-F188 HydrophobicContact CZ-CD2 4.35Å; F184-F188 AromaticContact CZ-CE2 3.42Å; F184-F188 HydrophobicContact CZ-CE2 3.42Å; F184-F188 VanDerWaalsContact CZ-CE2 3.42Å; F184-F188 AromaticContact CZ-CZ 3.98Å; F184-F188 HydrophobicContact CZ-CZ 3.98Å; F184-F188 WeakPolarHBondContact O-CD2 3.49Å; S185-F188 PolarHBondContact O-N 2.86Å; C186-F188 VanDerWaalsContact C-N 3.31Å; C186-F188 PolarHBondContact O-N 2.96Å; F188-E190 PolarHBondContact O-N 3.12Å; F188-L191 HydrophobicContact CD1-CD1 3.99Å; F188-L191 WeakPolarHBondContact O-CB 3.12Å; F188-L191 PolarHBondContact O-N 3.48Å; F188-L191 VanDerWaalsContact O-N 3.09Å; F188-V220 HydrophobicContact CD1-CG1 4.22Å; F188-V220 HydrophobicContact CE1-CG1 4.07Å; F188-F223 AromaticContact CD1-CD1 3.93Å; F188-F223 HydrophobicContact CD1-CD1 3.93Å; F188-F223 HydrophobicContact CD1-CE1 4.4Å; F188-F223 HydrophobicContact CD2-CD1 4.29Å; F188-F223 AromaticContact CD2-CE1 3.94Å; F188-F223 HydrophobicContact CD2-CE1 3.94Å; F188-F223 AromaticContact CE1-CD1 3.99Å; F188-F223 HydrophobicContact CE1-CD1 3.99Å; F188-F223 HydrophobicContact CE1-CE1 4.41Å; F188-F223 HydrophobicContact CE2-CD1 4.38Å; F188-F223 AromaticContact CE2-CE1 3.99Å; F188-F223 HydrophobicContact CE2-CE1 3.99Å; F188-F223 HydrophobicContact CG-CD1 4.09Å; F188-F223 HydrophobicContact CG-CE1 4.17Å; F188-F223 HydrophobicContact CZ-CD1 4.22Å; F188-F223 HydrophobicContact CZ-CE1 4.21Å; F188-R224 HydrophobicContact CB-CB 4.44Å; F188-R224 WeakPolarHBondContact O-CD 3.31Å; F188-R224 WeakPolarHBondContact O-CG 3.2Å; F188-L227 HydrophobicContact CB-CD1 3.82Å; F188-L227 HydrophobicContact CD2-CD1 4.21Å; F188-L227 HydrophobicContact CG-CD1 4.19Å; F188-L273 HydrophobicContact CE1-CD2 4.21Å; F188-L273 HydrophobicContact CZ-CD1 4.23Å; F188-L273 HydrophobicContact CZ-CD2 4.46Å; F188-L277 HydrophobicContact CE1-CD1 4.28Å; F188-L277 HydrophobicContact CZ-CD1 4.16Å; F188-V311 HydrophobicContact CE2-CG1 3.9Å; F188-V311 HydrophobicContact CZ-CG1 3.84Å
189	K	84.3	Confident	73.6	Confident	66 Å²	66	67.7 Å²	67.7	29%	0.287	38%	0.377	S	S	.	.	H	α-helix	trans	-59.1	-34.9	179.2	-70.8	170.8	-177.6	172.8	0	112.2	S185 C186 L227	S185-K189 WeakPolarHBondContact O-CG 3.48Å; S185-K189 PolarHBondContact O-N 3.34Å; C186-K189 PolarHBondContact O-N 3.5Å; C186-K189 VanDerWaalsContact O-N 3.15Å; K189-L227 WeakPolarHBondContact CE-O 3.46Å; K189-L227 HydrophobicContact CG-CB 4.49Å
190	E	84.3	Confident	70.9	Confident	153 Å²	153	77.2 Å²	77.2	72%	0.715	42%	0.419	S	S	*	.	H	α-helix	trans	-80.4	-15.7	178	-71	174.1	-172.4	0	0	114.1	C186 Y187 F188	C186-E190 WeakPolarHBondContact O-CB 3.36Å; C186-E190 WeakPolarHBondContact O-CG 3.4Å; C186-E190 PolarHBondContact O-N 2.9Å; Y187-E190 PolarHBondContact O-N 3.15Å; F188-E190 PolarHBondContact O-N 3.12Å
191	L	79.4	Confident	68.2	Low	41 Å²	41	83.4 Å²	83.4	22%	0.215	46%	0.457	C	S	.	.	S	Bend	trans	-57.6	130.5	175.9	-73.2	174.4	0	0	0	109.5	Y187 F188 A193 V220	Y187-L191 HydrophobicContact CD1-CD1 4.47Å; Y187-L191 HydrophobicContact CE1-CD1 4Å; Y187-L191 HydrophobicContact CE1-CD2 4.12Å; Y187-L191 HydrophobicContact CE1-CG 4.21Å; Y187-L191 WeakPolarHBondContact O-CG 3.15Å; Y187-L191 PolarHBondContact O-N 3.13Å; F188-L191 HydrophobicContact CD1-CD1 3.99Å; F188-L191 WeakPolarHBondContact O-CB 3.12Å; F188-L191 PolarHBondContact O-N 3.48Å; F188-L191 VanDerWaalsContact O-N 3.09Å; L191-A193 PolarHBondContact O-N 3.2Å; L191-A193 VanDerWaalsContact O-N 3.12Å; L191-V220 HydrophobicContact CD1-CG1 4.02Å
192	P	68.6	Low	65.6	Low	110 Å²	110	88.7 Å²	88.7	71%	0.714	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-58.3	125.3	179.7	22.5	-31.7	0	0	0	108.6	V194	P192-V194 PolarHBondContact O-N 2.89Å; P192-V194 VanDerWaalsContact O-N 3.15Å
193	A	59.5	Low	63	Low	52 Å²	52	87.3 Å²	87.3	43%	0.43	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-52	128	174	0	0	0	0	0	108	L191 A195	L191-A193 PolarHBondContact O-N 3.2Å; L191-A193 VanDerWaalsContact O-N 3.12Å; A193-A195 PolarHBondContact O-N 3.08Å
194	V	56.9	Low	60.3	Low	50 Å²	50	95.2 Å²	95.2	30%	0.303	54%	0.538	S	S	.	.	S	Bend	trans	-59.8	-9.6	-176.7	157	0	0	0	0	112.9	P192 L196 R210	P192-V194 PolarHBondContact O-N 2.89Å; P192-V194 VanDerWaalsContact O-N 3.15Å; V194-L196 PolarHBondContact O-N 3.39Å; V194-R210 HydrophobicContact CG1-CB 3.66Å; V194-R210 HydrophobicContact CG1-CG 3.44Å; V194-R210 VanDerWaalsContact CG1-CG 3.44Å
195	A	43.9	Very low	58	Low	68 Å²	68	107 Å²	107	56%	0.562	58%	0.582	S	S	*	*			trans	-80.7	98.8	170.9	0	0	0	0	0	112.1	A193	A193-A195 PolarHBondContact O-N 3.08Å
196	L	38	Very low	55.2	Low	157 Å²	157	115.7 Å²	115.7	82%	0.822	63%	0.625	S	S	*	*			trans	145.8	69.3	143.4	-76.3	164.7	0	0	0	111.8	V194	V194-L196 PolarHBondContact O-N 3.39Å
197	R	37.5	Very low	52.4	Low	224 Å²	224	123.8 Å²	123.8	85%	0.845	65%	0.65	S	S	*	*			trans	-114.9	71.1	139	-76.8	-155.5	-79.5	-113.3	5.6	108.9
198	S	36.3	Very low	49.6	Very low	102 Å²	102	127.8 Å²	127.8	71%	0.713	67%	0.672	S	S	*	*			trans	-149.8	102.6	157	-101.3	0	0	0	0	107.9
199	G	39.9	Very low	47.2	Very low	73 Å²	73	132 Å²	132	75%	0.753	70%	0.698	S	S	*	*			trans	-67	140.5	165.7	0	0	0	0	0	109.9
200	K	38.6	Very low	45.1	Very low	202 Å²	202	137.4 Å²	137.4	88%	0.878	72%	0.716	S	S	*	*	S	Bend	trans	69.4	64.9	160.5	-52.6	-178.9	-178.3	179.2	0	117.5
201	T	34.9	Very low	42.9	Very low	135 Å²	135	132.8 Å²	132.8	83%	0.828	70%	0.701	S	S	*	*			trans	-154.5	88.3	135.6	-26.9	0	0	0	0	110	G203	T201-G203 PolarHBondContact O-N 3.5Å
202	A	40.8	Very low	40.9	Very low	111 Å²	111	139.2 Å²	139.2	92%	0.917	73%	0.73	S	S	*	*			trans	-71.3	122.6	165.1	0	0	0	0	0	108.2
203	G	37.1	Very low	39.5	Very low	66 Å²	66	137.3 Å²	137.3	68%	0.68	73%	0.73	S	S	*	*	S	Bend	trans	115.6	57.2	167.4	0	0	0	0	0	116.2	T201	T201-G203 PolarHBondContact O-N 3.5Å
204	R	33.1	Very low	38.5	Very low	249 Å²	249	141.6 Å²	141.6	94%	0.94	75%	0.746	S	S	*	*			trans	-172.2	127.8	137.9	-100.8	166.2	-157.3	-154.7	7	108.6	M206	R204-M206 PolarHBondContact O-N 3.29Å
205	R	45.3	Very low	38.1	Very low	248 Å²	248	146.3 Å²	146.3	94%	0.936	77%	0.77	S	S	*	*			trans	-56.9	123.1	177	-63.2	174.5	-159.2	161.9	5.3	109.3
206	M	32.3	Very low	39	Very low	183 Å²	183	147.1 Å²	147.1	90%	0.901	77%	0.771	S	S	*	*			trans	-172.4	123.8	143.5	-105.2	167.1	97.4	0	0	109.2	R204 H208	R204-M206 PolarHBondContact O-N 3.29Å; M206-H208 PolarHBondContact O-N 2.87Å
207	Y	31.2	Very low	40.8	Very low	219 Å²	219	141.6 Å²	141.6	86%	0.859	74%	0.744	S	S	*	*			trans	-61.2	118.1	171.4	-71.5	-92.4	0	0	0	109.3
208	H	30.9	Very low	43.1	Very low	175 Å²	175	133.1 Å²	133.1	81%	0.81	72%	0.719	S	S	*	*			trans	-118.3	112.8	168.5	-141.9	51.4	0	0	0	108.8	M206	M206-H208 PolarHBondContact O-N 2.87Å
209	T	37.9	Very low	45.7	Very low	88 Å²	88	128.3 Å²	128.3	54%	0.54	69%	0.685	S	S	.	*			trans	-66.6	151.8	-179	40.2	0	0	0	0	112	S211	T209-S211 PolarHBondContact O-N 2.83Å
210	R	40.9	Very low	48.2	Very low	180 Å²	180	125.5 Å²	125.5	68%	0.679	65%	0.653	S	S	*	*			trans	-66.2	66.3	162.4	-80.7	170.2	79.9	-173.8	1.3	110.8	V194 Q212	V194-R210 HydrophobicContact CG1-CB 3.66Å; V194-R210 HydrophobicContact CG1-CG 3.44Å; V194-R210 VanDerWaalsContact CG1-CG 3.44Å; R210-Q212 VanDerWaalsContact C-N 3.33Å; R210-Q212 PolarHBondContact O-N 3.16Å; R210-Q212 VanDerWaalsContact O-N 3.15Å
211	S	38.5	Very low	50.5	Low	56 Å²	56	117.2 Å²	117.2	39%	0.392	62%	0.618	S	S	.	*			trans	-73.4	98.2	152.5	54.9	0	0	0	0	106.5	T209	T209-S211 PolarHBondContact O-N 2.83Å
212	Q	36.9	Very low	53.2	Low	175 Å²	175	111.9 Å²	111.9	82%	0.818	58%	0.584	S	S	*	*			trans	-54.3	137.8	139.8	-75.3	-156.8	-17	0	0	106.3	R210	R210-Q212 VanDerWaalsContact C-N 3.33Å; R210-Q212 PolarHBondContact O-N 3.16Å; R210-Q212 VanDerWaalsContact O-N 3.15Å
213	G	39.7	Very low	55.7	Low	71 Å²	71	106.6 Å²	106.6	73%	0.732	54%	0.54	S	S	*	.	S	Bend	trans	-36.4	138.5	-164.9	0	0	0	0	0	115
214	N	38	Very low	58.3	Low	142 Å²	142	104.8 Å²	104.8	76%	0.759	51%	0.513	S	S	*	.	S	Bend	trans	86.8	104.9	-173.9	-59.4	-15.5	0	0	0	114.9	S216	N214-S216 WeakPolarHBondContact O-CB 3.31Å; N214-S216 PolarHBondContact O-N 3.15Å; N214-S216 PolarHBondContact O-OG 3.37Å
215	N	49	Very low	61	Low	149 Å²	149	96.3 Å²	96.3	80%	0.797	48%	0.482	S	S	*	.			trans	24.7	22	139.4	-133.1	13.4	0	0	0	121.6	K249	N215-K249 PolarHBondContact O-NZ 2.91Å
216	S	62.1	Low	63.2	Low	85 Å²	85	84.9 Å²	84.9	59%	0.594	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-97.9	130.6	-171	52	0	0	0	0	110.3	N214	N214-S216 WeakPolarHBondContact O-CB 3.31Å; N214-S216 PolarHBondContact O-N 3.15Å; N214-S216 PolarHBondContact O-OG 3.37Å
217	V	76.3	Confident	66.1	Low	40 Å²	40	76.2 Å²	76.2	24%	0.242	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-89.3	133.7	177.5	179.9	0	0	0	0	107.5	Y245 A246 K249	V217-Y245 HydrophobicContact CG2-CD1 4.27Å; V217-Y245 HydrophobicContact CG2-CE1 3.87Å; V217-A246 HydrophobicContact CB-CB 4.46Å; V217-A246 HydrophobicContact CG1-CB 3.33Å; V217-K249 HydrophobicContact CB-CD 4.36Å; V217-K249 HydrophobicContact CG2-CD 3.65Å
218	S	86.3	Confident	68.8	Low	47 Å²	47	67.4 Å²	67.4	33%	0.329	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-89.8	118.7	175.5	168.5	0	0	0	0	109.5	E221 E222 E276	S218-E221 PolarHBondContact OG-N 3.03Å; S218-E222 PolarHBondContact O-N 3.45Å; S218-E276 VanDerWaalsContact CA-OE1 3.27Å; S218-E276 WeakPolarHBondContact CA-OE1 3.37Å; S218-E276 VanDerWaalsContact CB-OE1 3.24Å; S218-E276 WeakPolarHBondContact CB-OE1 3.34Å; S218-E276 PolarHBondContact OG-OE1 3.31Å
219	L	90.8	Very high	71.6	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-70.2	-38.5	176	-175.6	60.9	0	0	0	110.4	E221 E222 F223 L243 A246 I247 I250 M251 L269 H272 L273 E276	L219-E221 VanDerWaalsContact C-N 3.35Å; L219-E221 PolarHBondContact O-N 3.23Å; L219-E222 PolarHBondContact O-N 3.05Å; L219-F223 WeakPolarHBondContact O-CB 3.32Å; L219-F223 PolarHBondContact O-N 3.2Å; L219-L243 HydrophobicContact CD1-CD1 3.66Å; L219-A246 HydrophobicContact CD1-CB 4.27Å; L219-I247 HydrophobicContact CD1-CD1 4.45Å; L219-I247 HydrophobicContact CD1-CG1 3.64Å; L219-I250 HydrophobicContact CB-CD1 3.74Å; L219-M251 HydrophobicContact CD2-CE 4.18Å; L219-L269 HydrophobicContact CD1-CD1 4.44Å; L219-L269 HydrophobicContact CD2-CD1 4.01Å; L219-L269 HydrophobicContact CG-CD1 4.39Å; L219-H272 HydrophobicContact CD2-CB 3.68Å; L219-L273 HydrophobicContact CD2-CD2 4.38Å; L219-L273 HydrophobicContact CD2-CG 4.48Å; L219-L273 HydrophobicContact CG-CD2 4.17Å; L219-E276 VanDerWaalsContact CB-OE2 3.24Å; L219-E276 WeakPolarHBondContact CB-OE2 3.4Å; L219-E276 PolarHBondContact N-OE1 2.86Å; L219-E276 PolarHBondContact N-OE2 3.01Å
220	V	91.1	Very high	74.1	Confident	15 Å²	15	56.6 Å²	56.6	9%	0.091	32%	0.315	C	S	.	.	H	α-helix	trans	-59.7	-44.6	-178.9	170.9	0	0	0	0	111.3	F188 L191 R224 L273 E276 L277	F188-V220 HydrophobicContact CD1-CG1 4.22Å; F188-V220 HydrophobicContact CE1-CG1 4.07Å; L191-V220 HydrophobicContact CD1-CG1 4.02Å; V220-R224 VanDerWaalsContact O-CB 3.31Å; V220-R224 WeakPolarHBondContact O-CB 3.46Å; V220-R224 PolarHBondContact O-N 2.93Å; V220-L273 HydrophobicContact CB-CD2 4.45Å; V220-L273 HydrophobicContact CG2-CD2 3.78Å; V220-E276 HydrophobicContact CG2-CB 3.92Å; V220-E276 HydrophobicContact CG2-CG 3.88Å; V220-E276 PolarHBondContact N-OE1 2.83Å; V220-E276 PolarHBondContact N-OE2 3.37Å; V220-L277 HydrophobicContact CG1-CD2 4.01Å; V220-L277 HydrophobicContact CG2-CD2 4.08Å; V220-L277 HydrophobicContact CG2-CG 3.98Å
221	E	88.2	Confident	76.2	Confident	28 Å²	28	50.3 Å²	50.3	13%	0.131	29%	0.291	C	S	.	.	H	α-helix	trans	-70.1	-41.1	-178.9	178.2	58.7	-165	0	0	112.2	S218 L219 R224 K225	S218-E221 PolarHBondContact OG-N 3.03Å; L219-E221 VanDerWaalsContact C-N 3.35Å; L219-E221 PolarHBondContact O-N 3.23Å; E221-R224 PolarHBondContact O-N 2.88Å; E221-R224 IonicContact OE1-CZ 3.54Å; E221-R224 IonicContact OE1-NE 2.67Å; E221-R224 IonicContact OE1-NH2 2.72Å; E221-R224 PolarHBondContact OE1-NH2 2.8Å; E221-R224 IonicContact OE2-CZ 3.15Å; E221-R224 IonicContact OE2-NE 3.95Å; E221-R224 PolarHBondContact OE2-NE 3.18Å; E221-R224 IonicContact OE2-NH2 3.82Å; E221-K225 WeakPolarHBondContact O-CG 3.35Å; E221-K225 PolarHBondContact O-N 3.48Å; E221-K225 WeakPolarHBondContact OE1-CE 3.36Å
222	E	90.4	Very high	78.2	Confident	23 Å²	23	53 Å²	53	11%	0.107	30%	0.298	C	S	.	.	H	α-helix	trans	-70.4	-34.3	177.1	-63	-51.8	137.3	0	0	112.4	S218 L219 K225 T226 S242 L243 A246	S218-E222 PolarHBondContact O-N 3.45Å; L219-E222 PolarHBondContact O-N 3.05Å; E222-K225 IonicContact OE1-NZ 3.74Å; E222-K225 PolarHBondContact OE1-NZ 3.07Å; E222-K225 IonicContact OE2-NZ 3.25Å; E222-T226 PolarHBondContact O-N 2.76Å; E222-T226 VanDerWaalsContact O-N 3.1Å; E222-T226 PolarHBondContact O-OG1 3.27Å; E222-S242 WeakPolarHBondContact OE2-CB 3.41Å; E222-L243 HydrophobicContact CB-CB 4.09Å; E222-L243 HydrophobicContact CB-CD1 4.01Å; E222-A246 HydrophobicContact CB-CB 4.39Å; E222-A246 HydrophobicContact CG-CB 4.22Å
223	F	93.9	Very high	79.8	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.4	-47.1	172.8	-176.5	-112.4	0	0	0	110.7	L175 L178 F184 F188 L219 K225 T226 L227 L243 L269 L273	L175-F223 HydrophobicContact CD2-CD2 3.9Å; L175-F223 HydrophobicContact CD2-CE2 3.59Å; L178-F223 HydrophobicContact CB-CZ 4.4Å; L178-F223 HydrophobicContact CD1-CE2 4.48Å; L178-F223 HydrophobicContact CD1-CZ 4.2Å; F184-F223 AromaticContact CE1-CE1 3.64Å; F184-F223 HydrophobicContact CE1-CE1 3.64Å; F184-F223 AromaticContact CE1-CZ 3.71Å; F184-F223 HydrophobicContact CE1-CZ 3.71Å; F184-F223 HydrophobicContact CZ-CE1 4.12Å; F184-F223 HydrophobicContact CZ-CZ 4.47Å; F188-F223 AromaticContact CD1-CD1 3.93Å; F188-F223 HydrophobicContact CD1-CD1 3.93Å; F188-F223 HydrophobicContact CD1-CE1 4.4Å; F188-F223 HydrophobicContact CD2-CD1 4.29Å; F188-F223 AromaticContact CD2-CE1 3.94Å; F188-F223 HydrophobicContact CD2-CE1 3.94Å; F188-F223 AromaticContact CE1-CD1 3.99Å; F188-F223 HydrophobicContact CE1-CD1 3.99Å; F188-F223 HydrophobicContact CE1-CE1 4.41Å; F188-F223 HydrophobicContact CE2-CD1 4.38Å; F188-F223 AromaticContact CE2-CE1 3.99Å; F188-F223 HydrophobicContact CE2-CE1 3.99Å; F188-F223 HydrophobicContact CG-CD1 4.09Å; F188-F223 HydrophobicContact CG-CE1 4.17Å; F188-F223 HydrophobicContact CZ-CD1 4.22Å; F188-F223 HydrophobicContact CZ-CE1 4.21Å; L219-F223 WeakPolarHBondContact O-CB 3.32Å; L219-F223 PolarHBondContact O-N 3.2Å; F223-K225 PolarHBondContact O-N 2.99Å; F223-T226 WeakPolarHBondContact O-CB 3.33Å; F223-T226 PolarHBondContact O-N 3.02Å; F223-L227 HydrophobicContact CD1-CD1 3.93Å; F223-L227 HydrophobicContact CD1-CG 4.4Å; F223-L227 HydrophobicContact CE1-CD1 3.38Å; F223-L227 HydrophobicContact CE1-CG 4.03Å; F223-L227 HydrophobicContact CE2-CD1 4.5Å; F223-L227 HydrophobicContact CE2-CD2 4.33Å; F223-L227 HydrophobicContact CE2-CG 4.31Å; F223-L227 HydrophobicContact CZ-CD1 3.7Å; F223-L227 HydrophobicContact CZ-CD2 4.04Å; F223-L227 HydrophobicContact CZ-CG 3.96Å; F223-L227 WeakPolarHBondContact O-CG 3.02Å; F223-L227 PolarHBondContact O-N 3.03Å; F223-L243 HydrophobicContact CB-CD1 4.25Å; F223-L243 HydrophobicContact CD2-CD2 4.41Å; F223-L269 HydrophobicContact CE2-CD2 4.16Å; F223-L273 HydrophobicContact CB-CD2 4.24Å; F223-L273 HydrophobicContact CD1-CD1 3.91Å; F223-L273 HydrophobicContact CD1-CD2 4.15Å; F223-L273 HydrophobicContact CE1-CD1 3.95Å; F223-L273 HydrophobicContact CG-CD1 4.34Å; F223-L273 HydrophobicContact CG-CD2 4.32Å; F223-L273 HydrophobicContact CZ-CD1 4.43Å
224	R	91.8	Very high	81.2	Confident	28 Å²	28	47.6 Å²	47.6	11%	0.106	28%	0.275	C	S	.	.	H	α-helix	trans	-54.5	-51.7	173.9	-179.8	-176	82.4	73.4	10.4	112.1	F188 V220 E221 T226 L227 C228	F188-R224 HydrophobicContact CB-CB 4.44Å; F188-R224 WeakPolarHBondContact O-CD 3.31Å; F188-R224 WeakPolarHBondContact O-CG 3.2Å; V220-R224 VanDerWaalsContact O-CB 3.31Å; V220-R224 WeakPolarHBondContact O-CB 3.46Å; V220-R224 PolarHBondContact O-N 2.93Å; E221-R224 PolarHBondContact O-N 2.88Å; E221-R224 IonicContact OE1-CZ 3.54Å; E221-R224 IonicContact OE1-NE 2.67Å; E221-R224 IonicContact OE1-NH2 2.72Å; E221-R224 PolarHBondContact OE1-NH2 2.8Å; E221-R224 IonicContact OE2-CZ 3.15Å; E221-R224 IonicContact OE2-NE 3.95Å; E221-R224 PolarHBondContact OE2-NE 3.18Å; E221-R224 IonicContact OE2-NH2 3.82Å; R224-T226 VanDerWaalsContact C-N 3.25Å; R224-T226 PolarHBondContact O-N 3.11Å; R224-L227 PolarHBondContact O-N 2.76Å; R224-C228 PolarHBondContact O-N 2.78Å; R224-C228 PolarHBondContact O-SG 3.41Å; R224-C228 VanDerWaalsContact O-SG 3.34Å
225	K	89.6	Confident	82.9	Confident	70 Å²	70	46.3 Å²	46.3	30%	0.304	27%	0.265	S	S	.	.	H	α-helix	trans	-56	-43.3	178.9	-73.2	169.8	-173.4	167.6	0	111.5	E221 E222 F223 C228 S229	E221-K225 WeakPolarHBondContact O-CG 3.35Å; E221-K225 PolarHBondContact O-N 3.48Å; E221-K225 WeakPolarHBondContact OE1-CE 3.36Å; E222-K225 IonicContact OE1-NZ 3.74Å; E222-K225 PolarHBondContact OE1-NZ 3.07Å; E222-K225 IonicContact OE2-NZ 3.25Å; F223-K225 PolarHBondContact O-N 2.99Å; K225-C228 PolarHBondContact O-N 2.99Å; K225-S229 PolarHBondContact O-N 2.75Å; K225-S229 PolarHBondContact O-OG 3.35Å; K225-S229 VanDerWaalsContact O-OG 3.09Å
226	T	92.5	Very high	84.5	Confident	8 Å²	8	44.5 Å²	44.5	5%	0.049	26%	0.26	C	S	.	.	H	α-helix	trans	-62.8	-47.6	178.3	-56.4	0	0	0	0	111.2	E222 F223 R224 C228 S229 L230 F238 P240 L243	E222-T226 PolarHBondContact O-N 2.76Å; E222-T226 VanDerWaalsContact O-N 3.1Å; E222-T226 PolarHBondContact O-OG1 3.27Å; F223-T226 WeakPolarHBondContact O-CB 3.33Å; F223-T226 PolarHBondContact O-N 3.02Å; R224-T226 VanDerWaalsContact C-N 3.25Å; R224-T226 PolarHBondContact O-N 3.11Å; T226-C228 VanDerWaalsContact C-N 3.34Å; T226-C228 PolarHBondContact O-N 2.85Å; T226-S229 PolarHBondContact O-N 3.27Å; T226-S229 VanDerWaalsContact O-N 3.12Å; T226-L230 WeakPolarHBondContact O-CG 3.41Å; T226-L230 PolarHBondContact O-N 2.78Å; T226-L230 VanDerWaalsContact O-N 3.16Å; T226-F238 HydrophobicContact CG2-CE2 4.34Å; T226-F238 HydrophobicContact CG2-CZ 4.14Å; T226-P240 HydrophobicContact CG2-CB 3.98Å; T226-L243 HydrophobicContact CG2-CD2 4Å; T226-L243 WeakPolarHBondContact OG1-CD2 3.44Å
227	L	92.1	Very high	85.8	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-61	-39.9	176.9	-70.6	-175.7	0	0	0	113.1	F188 K189 F223 R224 S229 L230	F188-L227 HydrophobicContact CB-CD1 3.82Å; F188-L227 HydrophobicContact CD2-CD1 4.21Å; F188-L227 HydrophobicContact CG-CD1 4.19Å; K189-L227 WeakPolarHBondContact CE-O 3.46Å; K189-L227 HydrophobicContact CG-CB 4.49Å; F223-L227 HydrophobicContact CD1-CD1 3.93Å; F223-L227 HydrophobicContact CD1-CG 4.4Å; F223-L227 HydrophobicContact CE1-CD1 3.38Å; F223-L227 HydrophobicContact CE1-CG 4.03Å; F223-L227 HydrophobicContact CE2-CD1 4.5Å; F223-L227 HydrophobicContact CE2-CD2 4.33Å; F223-L227 HydrophobicContact CE2-CG 4.31Å; F223-L227 HydrophobicContact CZ-CD1 3.7Å; F223-L227 HydrophobicContact CZ-CD2 4.04Å; F223-L227 HydrophobicContact CZ-CG 3.96Å; F223-L227 WeakPolarHBondContact O-CG 3.02Å; F223-L227 PolarHBondContact O-N 3.03Å; R224-L227 PolarHBondContact O-N 2.76Å; L227-S229 VanDerWaalsContact C-N 3.32Å; L227-L230 HydrophobicContact CD2-CD1 4.39Å
228	C	88.3	Confident	86.2	Confident	34 Å²	34	40.1 Å²	40.1	23%	0.23	23%	0.227	C	C	.	.	H	α-helix	trans	-62.6	-40.4	174.6	-68.2	0	0	0	0	111.1	R224 K225 T226 Q232	R224-C228 PolarHBondContact O-N 2.78Å; R224-C228 PolarHBondContact O-SG 3.41Å; R224-C228 VanDerWaalsContact O-SG 3.34Å; K225-C228 PolarHBondContact O-N 2.99Å; T226-C228 VanDerWaalsContact C-N 3.34Å; T226-C228 PolarHBondContact O-N 2.85Å; C228-Q232 VanDerWaalsContact O-CG 3.25Å; C228-Q232 WeakPolarHBondContact O-CG 3.18Å; C228-Q232 PolarHBondContact O-NE2 3.13Å
229	S	88.8	Confident	86.1	Confident	36 Å²	36	39.5 Å²	39.5	25%	0.252	22%	0.223	S	C	.	.	H	α-helix	trans	-73.2	-27.8	-176	-64.9	0	0	0	0	114.2	K225 T226 L227 W231 Q232 F238	K225-S229 PolarHBondContact O-N 2.75Å; K225-S229 PolarHBondContact O-OG 3.35Å; K225-S229 VanDerWaalsContact O-OG 3.09Å; T226-S229 PolarHBondContact O-N 3.27Å; T226-S229 VanDerWaalsContact O-N 3.12Å; L227-S229 VanDerWaalsContact C-N 3.32Å; S229-W231 PolarHBondContact O-N 2.72Å; S229-Q232 PolarHBondContact O-N 2.96Å; S229-F238 VanDerWaalsContact CB-CZ 3.45Å
230	L	90.4	Very high	85.8	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-62.4	-27	-176.1	-77.7	171.7	0	0	0	114.5	T160 L162 S179 T226 L227 F238	T160-L230 VanDerWaalsContact CB-O 3.26Å; T160-L230 WeakPolarHBondContact CB-O 3.31Å; T160-L230 PolarHBondContact N-O 2.7Å; T160-L230 WeakPolarHBondContact O-CD2 3.5Å; T160-L230 PolarHBondContact OG1-O 3.28Å; L162-L230 HydrophobicContact CD1-CD2 4.29Å; L162-L230 HydrophobicContact CD2-CD2 3.74Å; L162-L230 HydrophobicContact CG-CD2 3.86Å; S179-L230 WeakPolarHBondContact OG-CD1 3.48Å; T226-L230 WeakPolarHBondContact O-CG 3.41Å; T226-L230 PolarHBondContact O-N 2.78Å; T226-L230 VanDerWaalsContact O-N 3.16Å; L227-L230 HydrophobicContact CD2-CD1 4.39Å; L230-F238 HydrophobicContact CD2-CE1 3.97Å; L230-F238 HydrophobicContact CD2-CZ 4.21Å; L230-F238 HydrophobicContact CG-CE1 4.31Å; L230-F238 HydrophobicContact CG-CZ 4.29Å
231	W	85.8	Confident	85.3	Confident	47 Å²	47	41.7 Å²	41.7	18%	0.178	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121	18.1	-175.8	-66.5	101.1	0	0	0	113.4	G158 A159 S179 N180 S229 G233 H480 Y485 F487	G158-W231 WeakPolarHBondContact O-CA 3.49Å; A159-W231 HydrophobicContact CB-CE3 4.17Å; A159-W231 HydrophobicContact CB-CH2 3.89Å; A159-W231 HydrophobicContact CB-CZ3 3.56Å; S179-W231 PolarHBondContact OG-NE1 3.12Å; N180-W231 WeakPolarHBondContact OD1-CZ2 3.34Å; S229-W231 PolarHBondContact O-N 2.72Å; W231-G233 VanDerWaalsContact C-N 3.33Å; W231-H480 AromaticContact CD2-NE2 3.99Å; W231-H480 AromaticContact CE3-CD2 3.64Å; W231-H480 AromaticContact CE3-NE2 3.74Å; W231-H480 HydrophobicContact CH2-CB 3.51Å; W231-H480 AromaticContact CH2-CD2 3.34Å; W231-H480 WeakPolarHBondContact CH2-CD2 3.47Å; W231-H480 AromaticContact CH2-CG 3.47Å; W231-H480 VanDerWaalsContact CH2-CG 3.47Å; W231-H480 HydrophobicContact CZ2-CB 3.83Å; W231-H480 AromaticContact CZ2-CD2 3.86Å; W231-H480 AromaticContact CZ2-CG 3.69Å; W231-H480 HydrophobicContact CZ3-CB 4.28Å; W231-H480 AromaticContact CZ3-CD2 3.2Å; W231-H480 WeakPolarHBondContact CZ3-CD2 3.41Å; W231-H480 AromaticContact CZ3-CG 3.86Å; W231-H480 AromaticContact CZ3-NE2 3.82Å; W231-Y485 HydrophobicContact CH2-CD2 4.28Å; W231-Y485 HydrophobicContact CH2-CE2 4.26Å; W231-F487 HydrophobicContact CH2-CZ 4.43Å; W231-F487 HydrophobicContact CZ2-CZ 4.26Å
232	Q	80	Confident	85.1	Confident	114 Å²	114	43.8 Å²	43.8	53%	0.533	25%	0.252	S	S	.	.	S	Bend	trans	-78.8	-13.8	177.6	-88.8	165.8	38.2	0	0	113.8	C228 S229 S234	C228-Q232 VanDerWaalsContact O-CG 3.25Å; C228-Q232 WeakPolarHBondContact O-CG 3.18Å; C228-Q232 PolarHBondContact O-NE2 3.13Å; S229-Q232 PolarHBondContact O-N 2.96Å; Q232-S234 PolarHBondContact O-N 2.88Å; Q232-S234 VanDerWaalsContact O-N 3.13Å
233	G	71.2	Confident	84.9	Confident	46 Å²	46	42.8 Å²	42.8	47%	0.474	25%	0.248	S	C	.	.			trans	64.9	12.3	179	0	0	0	0	0	116	G158 W231	G158-G233 PolarHBondContact O-N 3.42Å; W231-G233 VanDerWaalsContact C-N 3.33Å
234	S	68.3	Low	84.6	Confident	85 Å²	85	43.2 Å²	43.2	59%	0.594	25%	0.249	S	C	*	.	S	Bend	trans	-87	-22	-173.7	62.8	0	0	0	0	114.3	Q232	Q232-S234 PolarHBondContact O-N 2.88Å; Q232-S234 VanDerWaalsContact O-N 3.13Å
235	Q	74.5	Confident	84.2	Confident	115 Å²	115	44 Å²	44	54%	0.537	25%	0.253	S	S	.	.			trans	-143.6	155	-177.4	-60.3	-176.3	26.5	0	0	109.9	T160	T160-Q235 VanDerWaalsContact CG2-O 3.26Å; T160-Q235 WeakPolarHBondContact CG2-O 3.49Å; T160-Q235 PolarHBondContact OG1-O 2.87Å
236	T	82.9	Confident	84.1	Confident	112 Å²	112	40.6 Å²	40.6	69%	0.687	24%	0.238	S	C	*	.	S	Bend	trans	-73.4	-35.2	173.8	53.6	0	0	0	0	112.1	G161	G161-T236 PolarHBondContact N-O 3.19Å
237	A	87.8	Confident	83.9	Confident	2 Å²	2	40.2 Å²	40.2	2%	0.017	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	145.8	173.6	0	0	0	0	0	113.2	G161 R163	G161-A237 WeakPolarHBondContact O-CA 3.14Å; G161-A237 WeakPolarHBondContact O-CB 3.31Å; R163-A237 HydrophobicContact CG-CB 4.14Å; R163-A237 PolarHBondContact NE-O 3.25Å; R163-A237 VanDerWaalsContact NE-O 3.12Å; R163-A237 PolarHBondContact NH2-O 3.33Å
238	F	86.4	Confident	83.5	Confident	31 Å²	31	40.5 Å²	40.5	14%	0.136	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	163.2	174.4	73.6	-86.4	0	0	0	112.7	T160 G161 L162 R163 T226 S229 L230 P240	T160-F238 HydrophobicContact CG2-CD1 3.56Å; T160-F238 HydrophobicContact CG2-CE1 4.01Å; G161-F238 PolarHBondContact O-N 2.72Å; G161-F238 VanDerWaalsContact O-N 3.1Å; L162-F238 WeakPolarHBondContact CA-O 3.39Å; L162-F238 HydrophobicContact CD2-CD2 4.49Å; L162-F238 HydrophobicContact CD2-CE1 3.99Å; L162-F238 HydrophobicContact CD2-CE2 3.96Å; L162-F238 HydrophobicContact CD2-CZ 3.67Å; R163-F238 PolarHBondContact N-O 3.34Å; T226-F238 HydrophobicContact CG2-CE2 4.34Å; T226-F238 HydrophobicContact CG2-CZ 4.14Å; S229-F238 VanDerWaalsContact CB-CZ 3.45Å; L230-F238 HydrophobicContact CD2-CE1 3.97Å; L230-F238 HydrophobicContact CD2-CZ 4.21Å; L230-F238 HydrophobicContact CG-CE1 4.31Å; L230-F238 HydrophobicContact CG-CZ 4.29Å; F238-P240 HydrophobicContact CE2-CB 4.07Å
239	S	84.2	Confident	83.3	Confident	34 Å²	34	42.3 Å²	42.3	24%	0.238	24%	0.241	C	C	.	.			trans	-97.8	124.1	173.6	-61.4	0	0	0	0	109.8	R163 D241	R163-S239 WeakPolarHBondContact CB-OG 3.49Å; R163-S239 WeakPolarHBondContact CD-OG 3.4Å; S239-D241 WeakPolarHBondContact CB-OD2 3.49Å; S239-D241 PolarHBondContact O-N 2.71Å
240	P	84.5	Confident	83.1	Confident	15 Å²	15	42.9 Å²	42.9	10%	0.097	24%	0.24	C	C	.	.			trans	-83.9	54.8	176.9	35.7	-35.6	0	0	0	111.2	L162 T226 F238 S242 L243 F244	L162-P240 HydrophobicContact CD2-CG 4.09Å; T226-P240 HydrophobicContact CG2-CB 3.98Å; F238-P240 HydrophobicContact CE2-CB 4.07Å; P240-S242 VanDerWaalsContact C-N 3.28Å; P240-S242 PolarHBondContact O-N 3.15Å; P240-L243 HydrophobicContact CB-CB 4.25Å; P240-L243 PolarHBondContact O-N 2.91Å; P240-L243 VanDerWaalsContact O-N 3.09Å; P240-F244 PolarHBondContact O-N 3.45Å
241	D	80	Confident	82.9	Confident	46 Å²	46	43 Å²	43	25%	0.246	24%	0.241	C	C	.	.	H	α-helix	trans	-56.5	-39.5	-171.1	-61.8	-76.2	0	0	0	113	V105 S239 F244 Y245	V105-D241 HydrophobicContact CG1-CB 4.11Å; S239-D241 WeakPolarHBondContact CB-OD2 3.49Å; S239-D241 PolarHBondContact O-N 2.71Å; D241-F244 PolarHBondContact O-N 2.99Å; D241-Y245 WeakPolarHBondContact O-CB 3.25Å; D241-Y245 PolarHBondContact O-N 3.29Å
242	S	83.3	Confident	82.6	Confident	72 Å²	72	44.5 Å²	44.5	50%	0.503	26%	0.257	S	S	.	.	H	α-helix	trans	-67.2	-39.5	179.4	-57.8	0	0	0	0	112.7	E222 P240 A246	E222-S242 WeakPolarHBondContact OE2-CB 3.41Å; P240-S242 VanDerWaalsContact C-N 3.28Å; P240-S242 PolarHBondContact O-N 3.15Å; S242-A246 PolarHBondContact O-N 2.78Å
243	L	87.8	Confident	82.7	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-67.9	-42.4	174.8	174.7	60.8	0	0	0	110.6	L175 L219 E222 F223 T226 P240 Y245 A246 I247	L175-L243 HydrophobicContact CD1-CD2 3.82Å; L175-L243 HydrophobicContact CD2-CD2 3.89Å; L219-L243 HydrophobicContact CD1-CD1 3.66Å; E222-L243 HydrophobicContact CB-CB 4.09Å; E222-L243 HydrophobicContact CB-CD1 4.01Å; F223-L243 HydrophobicContact CB-CD1 4.25Å; F223-L243 HydrophobicContact CD2-CD2 4.41Å; T226-L243 HydrophobicContact CG2-CD2 4Å; T226-L243 WeakPolarHBondContact OG1-CD2 3.44Å; P240-L243 HydrophobicContact CB-CB 4.25Å; P240-L243 PolarHBondContact O-N 2.91Å; P240-L243 VanDerWaalsContact O-N 3.09Å; L243-Y245 VanDerWaalsContact C-N 3.34Å; L243-Y245 PolarHBondContact O-N 3.16Å; L243-A246 WeakPolarHBondContact O-CB 3.26Å; L243-A246 PolarHBondContact O-N 3.13Å; L243-A246 VanDerWaalsContact O-N 3.16Å; L243-I247 HydrophobicContact CD1-CD1 3.88Å; L243-I247 HydrophobicContact CD1-CG1 4.19Å; L243-I247 HydrophobicContact CD2-CD1 4.46Å; L243-I247 HydrophobicContact CG-CD1 3.79Å; L243-I247 HydrophobicContact CG-CG1 4.49Å; L243-I247 VanDerWaalsContact O-CG1 3.31Å; L243-I247 WeakPolarHBondContact O-CG1 3.37Å; L243-I247 PolarHBondContact O-N 3.44Å
244	F	86.6	Confident	83.2	Confident	8 Å²	8	40.6 Å²	40.6	4%	0.035	24%	0.235	C	C	.	.	H	α-helix	trans	-62.7	-42.5	177.7	-169.6	-103	0	0	0	111.9	V105 T168 M171 P240 D241 A246 I247 W248 Y257	V105-F244 HydrophobicContact CB-CD1 4.26Å; V105-F244 HydrophobicContact CG1-CB 4.18Å; V105-F244 HydrophobicContact CG1-CD1 3.44Å; V105-F244 VanDerWaalsContact CG1-CD1 3.44Å; V105-F244 HydrophobicContact CG1-CE1 4.21Å; V105-F244 HydrophobicContact CG1-CG 4.26Å; V105-F244 HydrophobicContact CG2-CD1 3.9Å; V105-F244 HydrophobicContact CG2-CE1 4.42Å; T168-F244 HydrophobicContact CG2-CD2 4.26Å; T168-F244 HydrophobicContact CG2-CE2 3.51Å; T168-F244 HydrophobicContact CG2-CZ 3.84Å; M171-F244 HydrophobicContact CE-CD2 3.69Å; M171-F244 HydrophobicContact CE-CE2 4.16Å; M171-F244 HydrophobicContact SD-CD2 3.63Å; M171-F244 HydrophobicContact SD-CE2 3.5Å; M171-F244 VanDerWaalsContact SD-CE2 3.5Å; P240-F244 PolarHBondContact O-N 3.45Å; D241-F244 PolarHBondContact O-N 2.99Å; F244-A246 VanDerWaalsContact C-N 3.35Å; F244-A246 PolarHBondContact O-N 3.23Å; F244-I247 PolarHBondContact O-N 3.16Å; F244-W248 HydrophobicContact CD1-CD2 4.07Å; F244-W248 AromaticContact CD1-CE2 3.82Å; F244-W248 HydrophobicContact CD1-CG 4.49Å; F244-W248 HydrophobicContact CD1-CZ2 4.1Å; F244-W248 AromaticContact CE1-CD2 3.73Å; F244-W248 HydrophobicContact CE1-CD2 3.73Å; F244-W248 AromaticContact CE1-CE2 3.06Å; F244-W248 HydrophobicContact CE1-CE3 4.22Å; F244-W248 HydrophobicContact CE1-CG 4.43Å; F244-W248 AromaticContact CE1-CH2 3.62Å; F244-W248 HydrophobicContact CE1-CH2 3.62Å; F244-W248 AromaticContact CE1-CZ2 3.01Å; F244-W248 HydrophobicContact CE1-CZ2 3.01Å; F244-W248 HydrophobicContact CE1-CZ3 4.17Å; F244-W248 AromaticContact CE1-NE1 3.44Å; F244-W248 HydrophobicContact CE2-CZ2 4.44Å; F244-W248 AromaticContact CE2-NE1 3.63Å; F244-W248 HydrophobicContact CZ-CD2 4.26Å; F244-W248 AromaticContact CZ-CE2 3.23Å; F244-W248 HydrophobicContact CZ-CH2 4.22Å; F244-W248 AromaticContact CZ-CZ2 3.22Å; F244-W248 HydrophobicContact CZ-CZ2 3.22Å; F244-W248 AromaticContact CZ-NE1 3.18Å; F244-W248 PolarHBondContact O-N 3.2Å; F244-Y257 HydrophobicContact CE1-CD1 4.38Å; F244-Y257 AromaticContact CE1-CE1 3.65Å; F244-Y257 HydrophobicContact CE1-CE1 3.65Å; F244-Y257 AromaticContact CE1-CZ 3.94Å; F244-Y257 AromaticContact CZ-CD1 3.96Å; F244-Y257 HydrophobicContact CZ-CD1 3.96Å; F244-Y257 AromaticContact CZ-CE1 3.67Å; F244-Y257 HydrophobicContact CZ-CE1 3.67Å
245	Y	83.8	Confident	83.8	Confident	44 Å²	44	41.1 Å²	41.1	17%	0.173	22%	0.223	C	C	.	.	H	α-helix	trans	-59.4	-43.2	171.7	179.5	-98.5	0	0	0	112.4	D102 V105 V217 D241 L243 W248 K249	D102-Y245 WeakPolarHBondContact OD2-CE2 3.48Å; D102-Y245 PolarHBondContact OD2-OH 3.42Å; V105-Y245 HydrophobicContact CG2-CD2 4.1Å; V217-Y245 HydrophobicContact CG2-CD1 4.27Å; V217-Y245 HydrophobicContact CG2-CE1 3.87Å; D241-Y245 WeakPolarHBondContact O-CB 3.25Å; D241-Y245 PolarHBondContact O-N 3.29Å; L243-Y245 VanDerWaalsContact C-N 3.34Å; L243-Y245 PolarHBondContact O-N 3.16Å; Y245-W248 PolarHBondContact O-N 3.43Å; Y245-K249 HydrophobicContact CE1-CD 4.25Å; Y245-K249 WeakPolarHBondContact O-CB 3.45Å; Y245-K249 PolarHBondContact O-N 2.93Å
246	A	86.6	Confident	84	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59	-48.3	175.6	0	0	0	0	0	111.6	V217 L219 E222 S242 L243 F244 W248 K249 I250	V217-A246 HydrophobicContact CB-CB 4.46Å; V217-A246 HydrophobicContact CG1-CB 3.33Å; L219-A246 HydrophobicContact CD1-CB 4.27Å; E222-A246 HydrophobicContact CB-CB 4.39Å; E222-A246 HydrophobicContact CG-CB 4.22Å; S242-A246 PolarHBondContact O-N 2.78Å; L243-A246 WeakPolarHBondContact O-CB 3.26Å; L243-A246 PolarHBondContact O-N 3.13Å; L243-A246 VanDerWaalsContact O-N 3.16Å; F244-A246 VanDerWaalsContact C-N 3.35Å; F244-A246 PolarHBondContact O-N 3.23Å; A246-W248 PolarHBondContact O-N 3.45Å; A246-K249 PolarHBondContact O-N 2.99Å; A246-I250 WeakPolarHBondContact O-CB 3.2Å; A246-I250 WeakPolarHBondContact O-CD1 3.4Å; A246-I250 VanDerWaalsContact O-CG1 3.23Å; A246-I250 WeakPolarHBondContact O-CG1 3.48Å; A246-I250 PolarHBondContact O-N 3.05Å
247	I	88.5	Confident	83.9	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.5	-48.5	179.7	-71.3	167	0	0	0	110.4	M171 L219 L243 F244 K249 I250 M251 F254 F265	M171-I247 HydrophobicContact CE-CB 4.22Å; M171-I247 HydrophobicContact CE-CD1 3.26Å; M171-I247 HydrophobicContact CE-CG1 4.3Å; M171-I247 HydrophobicContact CE-CG2 3.87Å; L219-I247 HydrophobicContact CD1-CD1 4.45Å; L219-I247 HydrophobicContact CD1-CG1 3.64Å; L243-I247 HydrophobicContact CD1-CD1 3.88Å; L243-I247 HydrophobicContact CD1-CG1 4.19Å; L243-I247 HydrophobicContact CD2-CD1 4.46Å; L243-I247 HydrophobicContact CG-CD1 3.79Å; L243-I247 HydrophobicContact CG-CG1 4.49Å; L243-I247 VanDerWaalsContact O-CG1 3.31Å; L243-I247 WeakPolarHBondContact O-CG1 3.37Å; L243-I247 PolarHBondContact O-N 3.44Å; F244-I247 PolarHBondContact O-N 3.16Å; I247-K249 VanDerWaalsContact C-N 3.3Å; I247-K249 PolarHBondContact O-N 2.85Å; I247-I250 PolarHBondContact O-N 3.38Å; I247-M251 HydrophobicContact CG2-SD 3.92Å; I247-M251 WeakPolarHBondContact O-CA 3.49Å; I247-M251 VanDerWaalsContact O-CB 3.3Å; I247-M251 WeakPolarHBondContact O-CB 3.25Å; I247-M251 PolarHBondContact O-N 3.12Å; I247-F254 HydrophobicContact CG2-CB 4.48Å; I247-F265 HydrophobicContact CD1-CE2 3.95Å; I247-F265 HydrophobicContact CD1-CZ 3.88Å; I247-F265 HydrophobicContact CG2-CE2 4.1Å
248	W	84.7	Confident	83.6	Confident	7 Å²	7	34.8 Å²	34.8	3%	0.027	19%	0.187	C	C	.	.	H	α-helix	trans	-61.4	-37.3	177.5	-81.9	10.5	0	0	0	113.6	F103 V105 F244 Y245 A246 F254 R255 G256 Y257	F103-W248 HydrophobicContact CB-CE3 4.28Å; F103-W248 HydrophobicContact CB-CZ3 4.2Å; V105-W248 HydrophobicContact CG2-CD2 4.4Å; V105-W248 HydrophobicContact CG2-CE3 3.65Å; V105-W248 HydrophobicContact CG2-CZ3 3.76Å; F244-W248 HydrophobicContact CD1-CD2 4.07Å; F244-W248 AromaticContact CD1-CE2 3.82Å; F244-W248 HydrophobicContact CD1-CG 4.49Å; F244-W248 HydrophobicContact CD1-CZ2 4.1Å; F244-W248 AromaticContact CE1-CD2 3.73Å; F244-W248 HydrophobicContact CE1-CD2 3.73Å; F244-W248 AromaticContact CE1-CE2 3.06Å; F244-W248 HydrophobicContact CE1-CE3 4.22Å; F244-W248 HydrophobicContact CE1-CG 4.43Å; F244-W248 AromaticContact CE1-CH2 3.62Å; F244-W248 HydrophobicContact CE1-CH2 3.62Å; F244-W248 AromaticContact CE1-CZ2 3.01Å; F244-W248 HydrophobicContact CE1-CZ2 3.01Å; F244-W248 HydrophobicContact CE1-CZ3 4.17Å; F244-W248 AromaticContact CE1-NE1 3.44Å; F244-W248 HydrophobicContact CE2-CZ2 4.44Å; F244-W248 AromaticContact CE2-NE1 3.63Å; F244-W248 HydrophobicContact CZ-CD2 4.26Å; F244-W248 AromaticContact CZ-CE2 3.23Å; F244-W248 HydrophobicContact CZ-CH2 4.22Å; F244-W248 AromaticContact CZ-CZ2 3.22Å; F244-W248 HydrophobicContact CZ-CZ2 3.22Å; F244-W248 AromaticContact CZ-NE1 3.18Å; F244-W248 PolarHBondContact O-N 3.2Å; Y245-W248 PolarHBondContact O-N 3.43Å; A246-W248 PolarHBondContact O-N 3.45Å; W248-F254 VanDerWaalsContact CD1-O 3.25Å; W248-F254 PolarHBondContact NE1-O 3.42Å; W248-R255 HydrophobicContact CB-CG 4.12Å; W248-R255 HydrophobicContact CG-CG 4.26Å; W248-R255 WeakPolarHBondContact O-CG 3.46Å; W248-R255 PolarHBondContact O-NE 3.5Å; W248-R255 PolarHBondContact O-NH2 2.83Å; W248-G256 VanDerWaalsContact CE2-N 3.26Å; W248-G256 WeakPolarHBondContact CZ2-O 3.3Å; W248-G256 PolarHBondContact NE1-O 3.19Å; W248-Y257 AromaticContact CH2-CD2 3.95Å; W248-Y257 HydrophobicContact CH2-CD2 3.95Å; W248-Y257 HydrophobicContact CH2-CE1 4.28Å; W248-Y257 AromaticContact CH2-CE2 3.35Å; W248-Y257 HydrophobicContact CH2-CE2 3.35Å; W248-Y257 AromaticContact CH2-CZ 3.52Å; W248-Y257 HydrophobicContact CZ2-CD1 4.41Å; W248-Y257 HydrophobicContact CZ2-CD2 4.05Å; W248-Y257 HydrophobicContact CZ2-CE1 4.14Å; W248-Y257 AromaticContact CZ2-CE2 3.81Å; W248-Y257 HydrophobicContact CZ2-CE2 3.81Å; W248-Y257 HydrophobicContact CZ2-CG 4.37Å; W248-Y257 AromaticContact CZ2-CZ 3.84Å; W248-Y257 HydrophobicContact CZ3-CE2 4.49Å
249	K	83.7	Confident	83.6	Confident	72 Å²	72	37 Å²	37	31%	0.313	20%	0.198	S	C	.	.	H	α-helix	trans	-68.7	-41.7	178.7	-170.5	167	177.2	172.4	0	111.4	N215 V217 Y245 A246 I247 R255	N215-K249 PolarHBondContact O-NZ 2.91Å; V217-K249 HydrophobicContact CB-CD 4.36Å; V217-K249 HydrophobicContact CG2-CD 3.65Å; Y245-K249 HydrophobicContact CE1-CD 4.25Å; Y245-K249 WeakPolarHBondContact O-CB 3.45Å; Y245-K249 PolarHBondContact O-N 2.93Å; A246-K249 PolarHBondContact O-N 2.99Å; I247-K249 VanDerWaalsContact C-N 3.3Å; I247-K249 PolarHBondContact O-N 2.85Å; K249-R255 PolarHBondContact O-NH2 3.38Å
250	I	84.9	Confident	83.9	Confident	47 Å²	47	37.3 Å²	37.3	24%	0.241	20%	0.196	C	C	.	.	H	α-helix	trans	-84.9	-32.5	-173.7	-64.4	167.8	0	0	0	112.4	L219 A246 I247 P252 H272	L219-I250 HydrophobicContact CB-CD1 3.74Å; A246-I250 WeakPolarHBondContact O-CB 3.2Å; A246-I250 WeakPolarHBondContact O-CD1 3.4Å; A246-I250 VanDerWaalsContact O-CG1 3.23Å; A246-I250 WeakPolarHBondContact O-CG1 3.48Å; A246-I250 PolarHBondContact O-N 3.05Å; I247-I250 PolarHBondContact O-N 3.38Å; I250-P252 WeakPolarHBondContact O-CD 3.38Å; I250-H272 WeakPolarHBondContact CG2-CE1 3.33Å; I250-H272 WeakPolarHBondContact CG2-ND1 3.24Å
251	M	85.6	Confident	84.3	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.02	20%	0.2	C	C	.	.			trans	-123.4	86.5	-173	-53.9	172.9	170.5	0	0	111.1	L219 I247 S253 F254 Y268 H272	L219-M251 HydrophobicContact CD2-CE 4.18Å; I247-M251 HydrophobicContact CG2-SD 3.92Å; I247-M251 WeakPolarHBondContact O-CA 3.49Å; I247-M251 VanDerWaalsContact O-CB 3.3Å; I247-M251 WeakPolarHBondContact O-CB 3.25Å; I247-M251 PolarHBondContact O-N 3.12Å; M251-S253 VanDerWaalsContact C-N 3.25Å; M251-S253 PolarHBondContact O-N 3.12Å; M251-F254 HydrophobicContact CB-CD2 3.91Å; M251-F254 PolarHBondContact O-N 3.4Å; M251-F254 HydrophobicContact SD-CD2 4.19Å; M251-Y268 WeakPolarHBondContact CE-O 3.42Å; M251-H272 HydrophobicContact CE-CB 3.73Å; M251-H272 WeakPolarHBondContact CE-CD2 3.43Å
252	P	79.9	Confident	85	Confident	78 Å²	78	36 Å²	36	51%	0.506	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-58.1	-31.7	-175.8	-26.2	34.9	0	0	0	114.9	I250 F254 R255	I250-P252 WeakPolarHBondContact O-CD 3.38Å; P252-F254 PolarHBondContact O-N 2.92Å; P252-R255 VanDerWaalsContact O-CB 3.28Å; P252-R255 WeakPolarHBondContact O-CB 3.36Å; P252-R255 WeakPolarHBondContact O-CG 3.35Å; P252-R255 PolarHBondContact O-N 3.09Å; P252-R255 VanDerWaalsContact O-N 3.13Å
253	S	81	Confident	85.6	Confident	76 Å²	76	33.4 Å²	33.4	53%	0.531	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-63.8	-27	-179.6	-50.5	0	0	0	0	113.6	M251 Q260	M251-S253 VanDerWaalsContact C-N 3.25Å; M251-S253 PolarHBondContact O-N 3.12Å; S253-Q260 PolarHBondContact O-NE2 3.17Å
254	F	83.4	Confident	86	Confident	3 Å²	3	37 Å²	37	1%	0.013	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-95.2	9.7	178.3	-64.1	-84.3	0	0	0	112.9	F170 I247 W248 M251 P252 Q260 E264 F265 Y268	F170-F254 AromaticContact CE2-CD1 3.85Å; F170-F254 HydrophobicContact CE2-CD1 3.85Å; F170-F254 HydrophobicContact CE2-CE1 4.15Å; F170-F254 HydrophobicContact CZ-CD1 4.1Å; I247-F254 HydrophobicContact CG2-CB 4.48Å; W248-F254 VanDerWaalsContact CD1-O 3.25Å; W248-F254 PolarHBondContact NE1-O 3.42Å; M251-F254 HydrophobicContact CB-CD2 3.91Å; M251-F254 PolarHBondContact O-N 3.4Å; M251-F254 HydrophobicContact SD-CD2 4.19Å; P252-F254 PolarHBondContact O-N 2.92Å; F254-Q260 HydrophobicContact CD1-CB 4.09Å; F254-Q260 HydrophobicContact CD1-CG 3.92Å; F254-Q260 HydrophobicContact CE1-CB 4.12Å; F254-Q260 HydrophobicContact CE1-CG 4.37Å; F254-E264 HydrophobicContact CZ-CB 4.41Å; F254-E264 HydrophobicContact CZ-CG 4.04Å; F254-F265 HydrophobicContact CD1-CB 4.39Å; F254-F265 HydrophobicContact CD1-CD2 4.18Å; F254-F265 HydrophobicContact CE1-CB 3.7Å; F254-F265 HydrophobicContact CE1-CD2 4.2Å; F254-F265 HydrophobicContact CE1-CG 4.44Å; F254-F265 HydrophobicContact CG-CD2 4.5Å; F254-F265 HydrophobicContact CZ-CB 4.08Å; F254-Y268 HydrophobicContact CE2-CD1 4.4Å; F254-Y268 AromaticContact CE2-CD2 3.46Å; F254-Y268 HydrophobicContact CE2-CD2 3.46Å; F254-Y268 VanDerWaalsContact CE2-CD2 3.46Å; F254-Y268 HydrophobicContact CE2-CE2 4.05Å; F254-Y268 AromaticContact CE2-CG 3.67Å; F254-Y268 HydrophobicContact CE2-CG 3.67Å; F254-Y268 AromaticContact CZ-CD2 3.7Å; F254-Y268 HydrophobicContact CZ-CD2 3.7Å; F254-Y268 HydrophobicContact CZ-CE2 4.3Å; F254-Y268 HydrophobicContact CZ-CG 4.28Å
255	R	80.4	Confident	86.5	Confident	95 Å²	95	36.6 Å²	36.6	36%	0.358	18%	0.183	S	C	.	.			trans	-67.9	144	177.6	-74.9	177.1	-176.1	168.4	4.5	111.4	W248 K249 P252	W248-R255 HydrophobicContact CB-CG 4.12Å; W248-R255 HydrophobicContact CG-CG 4.26Å; W248-R255 WeakPolarHBondContact O-CG 3.46Å; W248-R255 PolarHBondContact O-NE 3.5Å; W248-R255 PolarHBondContact O-NH2 2.83Å; K249-R255 PolarHBondContact O-NH2 3.38Å; P252-R255 VanDerWaalsContact O-CB 3.28Å; P252-R255 WeakPolarHBondContact O-CB 3.36Å; P252-R255 WeakPolarHBondContact O-CG 3.35Å; P252-R255 PolarHBondContact O-N 3.09Å; P252-R255 VanDerWaalsContact O-N 3.13Å
256	G	78.4	Confident	87.1	Confident	6 Å²	6	34.5 Å²	34.5	6%	0.062	18%	0.175	C	C	.	.	S	Bend	trans	81.6	-172.3	-175	0	0	0	0	0	112.4	W248	W248-G256 VanDerWaalsContact CE2-N 3.26Å; W248-G256 WeakPolarHBondContact CZ2-O 3.3Å; W248-G256 PolarHBondContact NE1-O 3.19Å
257	Y	79.8	Confident	87.5	Confident	3 Å²	3	40.5 Å²	40.5	1%	0.012	20%	0.197	C	C	.	.	S	Bend	trans	-116.1	40.6	-174.5	-53.8	-92.1	0	0	0	109.7	N92 F93 V105 R117 L165 N167 T168 F244 W248	N92-Y257 CarbonylContact O-C 3.52Å; N92-Y257 WeakPolarHBondContact O-CA 3.24Å; N92-Y257 PolarHBondContact O-N 2.95Å; F93-Y257 HydrophobicContact CB-CD2 4.22Å; F93-Y257 WeakPolarHBondContact O-CD2 3.44Å; F93-Y257 WeakPolarHBondContact O-CE2 3.47Å; V105-Y257 PolarHBondContact O-OH 3.19Å; R117-Y257 VanDerWaalsContact NH2-CZ 3.3Å; L165-Y257 HydrophobicContact CB-CD1 4.48Å; L165-Y257 HydrophobicContact CB-CE1 3.9Å; L165-Y257 WeakPolarHBondContact O-CD1 3.43Å; L165-Y257 WeakPolarHBondContact O-CE1 3.16Å; N167-Y257 WeakPolarHBondContact CB-O 3.42Å; N167-Y257 PolarHBondContact ND2-O 3.32Å; T168-Y257 HydrophobicContact CG2-CD1 4.28Å; F244-Y257 HydrophobicContact CE1-CD1 4.38Å; F244-Y257 AromaticContact CE1-CE1 3.65Å; F244-Y257 HydrophobicContact CE1-CE1 3.65Å; F244-Y257 AromaticContact CE1-CZ 3.94Å; F244-Y257 AromaticContact CZ-CD1 3.96Å; F244-Y257 HydrophobicContact CZ-CD1 3.96Å; F244-Y257 AromaticContact CZ-CE1 3.67Å; F244-Y257 HydrophobicContact CZ-CE1 3.67Å; W248-Y257 AromaticContact CH2-CD2 3.95Å; W248-Y257 HydrophobicContact CH2-CD2 3.95Å; W248-Y257 HydrophobicContact CH2-CE1 4.28Å; W248-Y257 AromaticContact CH2-CE2 3.35Å; W248-Y257 HydrophobicContact CH2-CE2 3.35Å; W248-Y257 AromaticContact CH2-CZ 3.52Å; W248-Y257 HydrophobicContact CZ2-CD1 4.41Å; W248-Y257 HydrophobicContact CZ2-CD2 4.05Å; W248-Y257 HydrophobicContact CZ2-CE1 4.14Å; W248-Y257 AromaticContact CZ2-CE2 3.81Å; W248-Y257 HydrophobicContact CZ2-CE2 3.81Å; W248-Y257 HydrophobicContact CZ2-CG 4.37Å; W248-Y257 AromaticContact CZ2-CZ 3.84Å; W248-Y257 HydrophobicContact CZ3-CE2 4.49Å
258	Q	82.9	Confident	87.8	Confident	87 Å²	87	44.8 Å²	44.8	41%	0.407	21%	0.214	S	C	.	.			trans	-73.9	156.4	166.2	-71.6	179.8	-16	0	0	109.6	N92	N92-Q258 HydrophobicContact CB-CG 3.57Å
259	Q	84.8	Confident	88.4	Confident	77 Å²	77	44.4 Å²	44.4	36%	0.36	21%	0.213	S	C	.	.			trans	-70.8	136.5	168.9	-62.7	-167.3	-6.5	0	0	109.3	N167 G470	N167-Q259 HydrophobicContact CB-CG 3.97Å; N167-Q259 PolarHBondContact OD1-NE2 3.1Å; Q259-G470 PolarHBondContact OE1-O 3.44Å
260	Q	90.7	Very high	88.9	Confident	41 Å²	41	41.1 Å²	41.1	19%	0.192	20%	0.198	C	C	.	.			trans	-132.4	163.7	-176.5	-61.1	-69.3	-1.2	0	0	109.8	F170 S253 F254	F170-Q260 HydrophobicContact CD1-CB 4Å; F170-Q260 HydrophobicContact CD2-CB 3.99Å; F170-Q260 HydrophobicContact CE1-CB 3.72Å; F170-Q260 HydrophobicContact CE1-CG 3.95Å; F170-Q260 HydrophobicContact CE2-CB 3.71Å; F170-Q260 HydrophobicContact CE2-CG 4.31Å; F170-Q260 HydrophobicContact CG-CB 4.13Å; F170-Q260 HydrophobicContact CZ-CB 3.58Å; F170-Q260 HydrophobicContact CZ-CG 3.76Å; S253-Q260 PolarHBondContact O-NE2 3.17Å; F254-Q260 HydrophobicContact CD1-CB 4.09Å; F254-Q260 HydrophobicContact CD1-CG 3.92Å; F254-Q260 HydrophobicContact CE1-CB 4.12Å; F254-Q260 HydrophobicContact CE1-CG 4.37Å
261	D	93.1	Very high	89.3	Confident	34 Å²	34	42.1 Å²	42.1	18%	0.182	20%	0.204	C	C	.	.			trans	-80.1	130.7	176.2	-165	-82.2	0	0	0	111.7	H263 E264 F265 Y506	D261-H263 PolarHBondContact O-N 3.32Å; D261-H263 WeakPolarHBondContact OD1-CA 3.44Å; D261-H263 VanDerWaalsContact OD1-CB 3.24Å; D261-H263 WeakPolarHBondContact OD1-CB 3.28Å; D261-H263 PolarHBondContact OD1-N 2.87Å; D261-E264 HydrophobicContact CB-CB 3.97Å; D261-E264 PolarHBondContact O-N 3.01Å; D261-E264 PolarHBondContact OD1-N 3.29Å; D261-F265 PolarHBondContact O-N 2.92Å; D261-Y506 PolarHBondContact OD1-OH 3.06Å; D261-Y506 PolarHBondContact OD2-OH 2.94Å
262	A	95.8	Very high	89.6	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-68.4	-33	-178.6	0	0	0	0	0	112.8	F170 I174 M266 V462 Y474 Y506 I507	F170-A262 HydrophobicContact CB-CB 4.07Å; I174-A262 HydrophobicContact CD1-CB 4.2Å; I174-A262 HydrophobicContact CG1-CB 4.14Å; I174-A262 WeakPolarHBondContact CG1-O 3.35Å; A262-M266 WeakPolarHBondContact O-CB 3.35Å; A262-M266 PolarHBondContact O-N 3.34Å; A262-V462 HydrophobicContact CB-CG1 4.43Å; A262-Y474 HydrophobicContact CB-CD1 3.75Å; A262-Y474 HydrophobicContact CB-CE1 3.54Å; A262-Y474 HydrophobicContact CB-CE2 4.38Å; A262-Y474 HydrophobicContact CB-CG 4.24Å; A262-Y506 HydrophobicContact CB-CD1 4.49Å; A262-Y506 HydrophobicContact CB-CE1 4.23Å; A262-I507 HydrophobicContact CB-CD1 4.4Å
263	H	96.3	Very high	90.2	Very high	17 Å²	17	39.9 Å²	39.9	8%	0.079	19%	0.187	C	C	.	.	H	α-helix	trans	-70.9	-43	177.9	175.5	-107.6	0	0	0	110.7	D261 M266 R267 D341 S343 H412 Y506 I507	D261-H263 PolarHBondContact O-N 3.32Å; D261-H263 WeakPolarHBondContact OD1-CA 3.44Å; D261-H263 VanDerWaalsContact OD1-CB 3.24Å; D261-H263 WeakPolarHBondContact OD1-CB 3.28Å; D261-H263 PolarHBondContact OD1-N 2.87Å; H263-M266 PolarHBondContact O-N 3.44Å; H263-R267 WeakPolarHBondContact CE1-CD 3.32Å; H263-R267 WeakPolarHBondContact O-CG 3.22Å; H263-R267 PolarHBondContact O-N 3.42Å; H263-D341 IonicContact CD2-OD2 3.51Å; H263-D341 IonicContact CE1-OD2 2.77Å; H263-D341 PolarHBondContact CE1-OD2 2.93Å; H263-D341 VanDerWaalsContact NE2-CG 3.34Å; H263-D341 IonicContact NE2-OD1 3.78Å; H263-D341 IonicContact NE2-OD2 3.75Å; H263-D341 PolarHBondContact NE2-OD2 3.29Å; H263-S343 PolarHBondContact CE1-OG 3.5Å; H263-H412 VanDerWaalsContact CD2-CB 3.44Å; H263-H412 WeakPolarHBondContact CD2-CB 3.17Å; H263-H412 AromaticContact CD2-CG 3.44Å; H263-H412 VanDerWaalsContact CD2-CG 3.44Å; H263-H412 AromaticContact CD2-ND1 3.68Å; H263-H412 AromaticContact CE1-CE1 3.98Å; H263-H412 AromaticContact CE1-CG 3.95Å; H263-H412 AromaticContact CE1-ND1 3.38Å; H263-H412 PolarHBondContact CE1-ND1 3.36Å; H263-H412 AromaticContact CG-CD2 3.95Å; H263-H412 AromaticContact CG-CE1 3.89Å; H263-H412 AromaticContact CG-CG 3.66Å; H263-H412 AromaticContact CG-ND1 3.64Å; H263-H412 AromaticContact ND1-CE1 3.69Å; H263-H412 AromaticContact ND1-ND1 3.5Å; H263-H412 AromaticContact NE2-CG 3.63Å; H263-H412 AromaticContact NE2-ND1 3.5Å; H263-Y506 HydrophobicContact CB-CE1 4.16Å; H263-I507 HydrophobicContact CB-CD1 3.95Å; H263-I507 HydrophobicContact CB-CG1 4.49Å
264	E	95.1	Very high	90.6	Very high	77 Å²	77	37.8 Å²	37.8	36%	0.36	17%	0.168	S	C	.	.	H	α-helix	trans	-59	-51.2	174.4	-166.1	-178	-177.9	0	0	110.4	F254 D261 M266 R267 Y268	F254-E264 HydrophobicContact CZ-CB 4.41Å; F254-E264 HydrophobicContact CZ-CG 4.04Å; D261-E264 HydrophobicContact CB-CB 3.97Å; D261-E264 PolarHBondContact O-N 3.01Å; D261-E264 PolarHBondContact OD1-N 3.29Å; E264-M266 VanDerWaalsContact C-N 3.34Å; E264-M266 PolarHBondContact O-N 2.91Å; E264-R267 PolarHBondContact O-N 2.95Å; E264-Y268 HydrophobicContact CG-CD2 3.84Å; E264-Y268 HydrophobicContact CG-CE2 3.67Å; E264-Y268 VanDerWaalsContact O-CD2 3.28Å; E264-Y268 WeakPolarHBondContact O-CD2 3.16Å; E264-Y268 PolarHBondContact O-N 3.03Å
265	F	96.3	Very high	90.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-55.5	-46.4	176.6	173.7	-111.1	0	0	0	112.9	F170 M171 I174 I247 F254 D261 R267 Y268 L269	F170-F265 HydrophobicContact CD2-CB 3.61Å; F170-F265 HydrophobicContact CD2-CD1 4.15Å; F170-F265 AromaticContact CD2-CG 3.82Å; F170-F265 HydrophobicContact CD2-CG 3.82Å; F170-F265 HydrophobicContact CE2-CB 3.63Å; F170-F265 HydrophobicContact CE2-CD1 4.26Å; F170-F265 AromaticContact CE2-CD2 3.89Å; F170-F265 HydrophobicContact CE2-CD2 3.89Å; F170-F265 AromaticContact CE2-CG 3.63Å; F170-F265 HydrophobicContact CE2-CG 3.63Å; M171-F265 HydrophobicContact CB-CD1 4.25Å; M171-F265 HydrophobicContact CB-CE1 3.78Å; M171-F265 HydrophobicContact CB-CZ 4.02Å; M171-F265 HydrophobicContact CE-CE2 3.65Å; M171-F265 HydrophobicContact CE-CZ 3.65Å; M171-F265 HydrophobicContact CG-CD1 4.06Å; M171-F265 HydrophobicContact CG-CD2 4.18Å; M171-F265 HydrophobicContact CG-CE1 3.87Å; M171-F265 HydrophobicContact CG-CE2 4.01Å; M171-F265 HydrophobicContact CG-CG 4.22Å; M171-F265 HydrophobicContact CG-CZ 3.85Å; M171-F265 HydrophobicContact SD-CE2 4.46Å; I174-F265 HydrophobicContact CB-CD1 4Å; I174-F265 HydrophobicContact CB-CE1 4.07Å; I174-F265 HydrophobicContact CG1-CD1 4.02Å; I174-F265 HydrophobicContact CG2-CD1 4.16Å; I174-F265 HydrophobicContact CG2-CE1 4.1Å; I247-F265 HydrophobicContact CD1-CE2 3.95Å; I247-F265 HydrophobicContact CD1-CZ 3.88Å; I247-F265 HydrophobicContact CG2-CE2 4.1Å; F254-F265 HydrophobicContact CD1-CB 4.39Å; F254-F265 HydrophobicContact CD1-CD2 4.18Å; F254-F265 HydrophobicContact CE1-CB 3.7Å; F254-F265 HydrophobicContact CE1-CD2 4.2Å; F254-F265 HydrophobicContact CE1-CG 4.44Å; F254-F265 HydrophobicContact CG-CD2 4.5Å; F254-F265 HydrophobicContact CZ-CB 4.08Å; D261-F265 PolarHBondContact O-N 2.92Å; F265-R267 VanDerWaalsContact C-N 3.35Å; F265-R267 PolarHBondContact O-N 3.45Å; F265-Y268 PolarHBondContact O-N 3.45Å; F265-L269 HydrophobicContact CE1-CD2 4.15Å; F265-L269 HydrophobicContact CZ-CB 4.45Å; F265-L269 HydrophobicContact CZ-CD2 4.12Å; F265-L269 WeakPolarHBondContact O-CB 3.42Å; F265-L269 PolarHBondContact O-N 2.99Å
266	M	97.3	Very high	91.3	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-58.4	-45.9	177.9	179.2	-167	72.3	0	0	111.8	I174 A262 H263 E264 L269 L270 D341 C410 I507 F509	I174-M266 HydrophobicContact CD1-CB 3.9Å; I174-M266 HydrophobicContact CD1-CG 4.35Å; I174-M266 HydrophobicContact CD1-SD 4.39Å; I174-M266 HydrophobicContact CG1-CB 4.16Å; I174-M266 HydrophobicContact CG2-CB 3.99Å; I174-M266 HydrophobicContact CG2-CG 4.16Å; A262-M266 WeakPolarHBondContact O-CB 3.35Å; A262-M266 PolarHBondContact O-N 3.34Å; H263-M266 PolarHBondContact O-N 3.44Å; E264-M266 VanDerWaalsContact C-N 3.34Å; E264-M266 PolarHBondContact O-N 2.91Å; M266-L269 PolarHBondContact O-N 2.85Å; M266-L270 HydrophobicContact CG-CD1 4.13Å; M266-L270 HydrophobicContact CG-CG 4.48Å; M266-L270 WeakPolarHBondContact O-CG 3.24Å; M266-L270 PolarHBondContact O-N 3.39Å; M266-D341 HydrophobicContact CE-CB 4.32Å; M266-C410 VanDerWaalsContact CE-SG 3.52Å; M266-I507 HydrophobicContact SD-CD1 4.49Å; M266-I507 HydrophobicContact SD-CG2 4.3Å; M266-F509 HydrophobicContact SD-CE1 3.75Å; M266-F509 HydrophobicContact SD-CZ 3.48Å; M266-F509 WeakPolarHBondContact SD-CZ 3.43Å
267	R	95.6	Very high	91.6	Very high	125 Å²	125	41 Å²	41	47%	0.472	18%	0.182	S	C	.	.	H	α-helix	trans	-62.5	-45.8	179.2	-74.2	176.8	62.1	120.7	-6.8	111.7	H263 E264 F265 L270 D271 D341	H263-R267 WeakPolarHBondContact CE1-CD 3.32Å; H263-R267 WeakPolarHBondContact O-CG 3.22Å; H263-R267 PolarHBondContact O-N 3.42Å; E264-R267 PolarHBondContact O-N 2.95Å; F265-R267 VanDerWaalsContact C-N 3.35Å; F265-R267 PolarHBondContact O-N 3.45Å; R267-L270 PolarHBondContact O-N 3.45Å; R267-D271 WeakPolarHBondContact O-CB 3.27Å; R267-D271 PolarHBondContact O-N 2.9Å; R267-D341 IonicContact CZ-OD1 2.69Å; R267-D341 IonicContact NE-OD1 2.86Å; R267-D341 IonicContact NH1-OD1 3.63Å; R267-D341 PolarHBondContact NH1-OD1 3.46Å; R267-D341 IonicContact NH1-OD2 3.95Å
268	Y	95.2	Very high	91.7	Very high	90 Å²	90	42.6 Å²	42.6	35%	0.353	19%	0.19	S	C	.	.	H	α-helix	trans	-61.3	-44.1	175.3	-85.2	-81.5	0	0	0	111.6	M251 F254 E264 F265 D271 H272	M251-Y268 WeakPolarHBondContact CE-O 3.42Å; F254-Y268 HydrophobicContact CE2-CD1 4.4Å; F254-Y268 AromaticContact CE2-CD2 3.46Å; F254-Y268 HydrophobicContact CE2-CD2 3.46Å; F254-Y268 VanDerWaalsContact CE2-CD2 3.46Å; F254-Y268 HydrophobicContact CE2-CE2 4.05Å; F254-Y268 AromaticContact CE2-CG 3.67Å; F254-Y268 HydrophobicContact CE2-CG 3.67Å; F254-Y268 AromaticContact CZ-CD2 3.7Å; F254-Y268 HydrophobicContact CZ-CD2 3.7Å; F254-Y268 HydrophobicContact CZ-CE2 4.3Å; F254-Y268 HydrophobicContact CZ-CG 4.28Å; E264-Y268 HydrophobicContact CG-CD2 3.84Å; E264-Y268 HydrophobicContact CG-CE2 3.67Å; E264-Y268 VanDerWaalsContact O-CD2 3.28Å; E264-Y268 WeakPolarHBondContact O-CD2 3.16Å; E264-Y268 PolarHBondContact O-N 3.03Å; F265-Y268 PolarHBondContact O-N 3.45Å; Y268-D271 PolarHBondContact O-N 3.33Å; Y268-H272 WeakPolarHBondContact O-CB 3.2Å; Y268-H272 PolarHBondContact O-CD2 3.25Å; Y268-H272 VanDerWaalsContact O-CD2 3.25Å; Y268-H272 PolarHBondContact O-N 3.43Å
269	L	95.8	Very high	91	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.1	-50.8	176.8	179.8	61.3	0	0	0	111.7	I174 L175 L178 L219 F223 F265 M266 H272 L273	I174-L269 HydrophobicContact CG2-CD2 4.33Å; L175-L269 HydrophobicContact CD2-CD2 4.18Å; L178-L269 HydrophobicContact CD1-CD2 3.82Å; L219-L269 HydrophobicContact CD1-CD1 4.44Å; L219-L269 HydrophobicContact CD2-CD1 4.01Å; L219-L269 HydrophobicContact CG-CD1 4.39Å; F223-L269 HydrophobicContact CE2-CD2 4.16Å; F265-L269 HydrophobicContact CE1-CD2 4.15Å; F265-L269 HydrophobicContact CZ-CB 4.45Å; F265-L269 HydrophobicContact CZ-CD2 4.12Å; F265-L269 WeakPolarHBondContact O-CB 3.42Å; F265-L269 PolarHBondContact O-N 2.99Å; M266-L269 PolarHBondContact O-N 2.85Å; L269-H272 PolarHBondContact O-N 2.97Å; L269-L273 HydrophobicContact CD1-CD1 4.01Å; L269-L273 HydrophobicContact CD1-CG 4.18Å; L269-L273 HydrophobicContact CG-CD1 4.02Å; L269-L273 WeakPolarHBondContact O-CB 3.4Å; L269-L273 VanDerWaalsContact O-CG 3.22Å; L269-L273 WeakPolarHBondContact O-CG 3.26Å; L269-L273 PolarHBondContact O-N 2.77Å
270	L	95.4	Very high	89.8	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-65.2	-41	-179.5	-67.2	179.6	0	0	0	112.5	F184 M266 R267 L273 H274 V312 F316 L340	F184-L270 HydrophobicContact CE2-CD2 4.24Å; F184-L270 HydrophobicContact CZ-CD2 3.81Å; M266-L270 HydrophobicContact CG-CD1 4.13Å; M266-L270 HydrophobicContact CG-CG 4.48Å; M266-L270 WeakPolarHBondContact O-CG 3.24Å; M266-L270 PolarHBondContact O-N 3.39Å; R267-L270 PolarHBondContact O-N 3.45Å; L270-L273 PolarHBondContact O-N 3.21Å; L270-H274 WeakPolarHBondContact O-CB 3.21Å; L270-H274 PolarHBondContact O-N 3.47Å; L270-V312 HydrophobicContact CB-CG1 3.94Å; L270-V312 HydrophobicContact CD2-CG1 4.26Å; L270-F316 HydrophobicContact CD1-CD2 4.33Å; L270-F316 HydrophobicContact CD2-CD2 4.25Å; L270-F316 HydrophobicContact CD2-CE2 4.02Å; L270-L340 HydrophobicContact CB-CD1 4.23Å
271	D	92.5	Very high	88.1	Confident	68 Å²	68	54.4 Å²	54.4	36%	0.364	24%	0.241	S	C	.	.	H	α-helix	trans	-62.2	-47.3	176.2	-178.2	66.4	0	0	0	111.7	R267 Y268 L273 H274 R275	R267-D271 WeakPolarHBondContact O-CB 3.27Å; R267-D271 PolarHBondContact O-N 2.9Å; Y268-D271 PolarHBondContact O-N 3.33Å; D271-L273 PolarHBondContact O-N 3.28Å; D271-H274 WeakPolarHBondContact O-CB 3.2Å; D271-H274 PolarHBondContact O-N 3.15Å; D271-R275 WeakPolarHBondContact O-CG 3.5Å; D271-R275 PolarHBondContact O-N 2.69Å; D271-R275 VanDerWaalsContact OD2-CD 3.26Å; D271-R275 WeakPolarHBondContact OD2-CD 3.31Å; D271-R275 IonicContact OD2-NH1 2.69Å
272	H	91.8	Very high	85.7	Confident	35 Å²	35	57.2 Å²	57.2	16%	0.162	26%	0.256	C	S	.	.	H	α-helix	trans	-66.2	-40.7	179.5	-85.2	-87.6	0	0	0	112.5	L219 I250 M251 Y268 L269 H274 R275 E276	L219-H272 HydrophobicContact CD2-CB 3.68Å; I250-H272 WeakPolarHBondContact CG2-CE1 3.33Å; I250-H272 WeakPolarHBondContact CG2-ND1 3.24Å; M251-H272 HydrophobicContact CE-CB 3.73Å; M251-H272 WeakPolarHBondContact CE-CD2 3.43Å; Y268-H272 WeakPolarHBondContact O-CB 3.2Å; Y268-H272 PolarHBondContact O-CD2 3.25Å; Y268-H272 VanDerWaalsContact O-CD2 3.25Å; Y268-H272 PolarHBondContact O-N 3.43Å; L269-H272 PolarHBondContact O-N 2.97Å; H272-H274 VanDerWaalsContact C-N 3.32Å; H272-H274 PolarHBondContact O-N 3.4Å; H272-R275 PolarHBondContact O-N 2.86Å; H272-E276 WeakPolarHBondContact O-CB 3.44Å; H272-E276 PolarHBondContact O-N 2.53Å
273	L	92.1	Very high	83.2	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.9	-42.2	172.4	-71	173.7	0	0	0	111.2	F184 F188 L219 V220 F223 L269 L270 D271 L277 V312	F184-L273 HydrophobicContact CZ-CD1 4.08Å; F188-L273 HydrophobicContact CE1-CD2 4.21Å; F188-L273 HydrophobicContact CZ-CD1 4.23Å; F188-L273 HydrophobicContact CZ-CD2 4.46Å; L219-L273 HydrophobicContact CD2-CD2 4.38Å; L219-L273 HydrophobicContact CD2-CG 4.48Å; L219-L273 HydrophobicContact CG-CD2 4.17Å; V220-L273 HydrophobicContact CB-CD2 4.45Å; V220-L273 HydrophobicContact CG2-CD2 3.78Å; F223-L273 HydrophobicContact CB-CD2 4.24Å; F223-L273 HydrophobicContact CD1-CD1 3.91Å; F223-L273 HydrophobicContact CD1-CD2 4.15Å; F223-L273 HydrophobicContact CE1-CD1 3.95Å; F223-L273 HydrophobicContact CG-CD1 4.34Å; F223-L273 HydrophobicContact CG-CD2 4.32Å; F223-L273 HydrophobicContact CZ-CD1 4.43Å; L269-L273 HydrophobicContact CD1-CD1 4.01Å; L269-L273 HydrophobicContact CD1-CG 4.18Å; L269-L273 HydrophobicContact CG-CD1 4.02Å; L269-L273 WeakPolarHBondContact O-CB 3.4Å; L269-L273 VanDerWaalsContact O-CG 3.22Å; L269-L273 WeakPolarHBondContact O-CG 3.26Å; L269-L273 PolarHBondContact O-N 2.77Å; L270-L273 PolarHBondContact O-N 3.21Å; D271-L273 PolarHBondContact O-N 3.28Å; L273-L277 VanDerWaalsContact O-CB 3.31Å; L273-L277 WeakPolarHBondContact O-CB 3.48Å; L273-L277 WeakPolarHBondContact O-CD1 3.26Å; L273-L277 WeakPolarHBondContact O-CG 3.26Å; L273-L277 PolarHBondContact O-N 2.94Å; L273-L277 VanDerWaalsContact O-N 3.08Å; L273-V312 HydrophobicContact CB-CG2 4.04Å
274	H	90.7	Very high	80.3	Confident	32 Å²	32	64 Å²	64	15%	0.148	32%	0.323	C	S	.	.	H	α-helix	trans	-60.7	-48.5	176.6	173.6	60.5	0	0	0	111.7	L270 D271 H272 Q278 S310 V312	L270-H274 WeakPolarHBondContact O-CB 3.21Å; L270-H274 PolarHBondContact O-N 3.47Å; D271-H274 WeakPolarHBondContact O-CB 3.2Å; D271-H274 PolarHBondContact O-N 3.15Å; H272-H274 VanDerWaalsContact C-N 3.32Å; H272-H274 PolarHBondContact O-N 3.4Å; H274-Q278 PolarHBondContact CD2-NE2 3.06Å; H274-Q278 VanDerWaalsContact CD2-NE2 3.29Å; H274-Q278 PolarHBondContact CE1-NE2 3.21Å; H274-Q278 PolarHBondContact NE2-NE2 3.44Å; H274-Q278 WeakPolarHBondContact O-CG 3.33Å; H274-Q278 PolarHBondContact O-N 3.23Å; H274-Q278 VanDerWaalsContact O-N 3.13Å; H274-S310 WeakPolarHBondContact ND1-CB 3.42Å; H274-S310 PolarHBondContact ND1-OG 3.35Å; H274-V312 HydrophobicContact CB-CB 4.04Å; H274-V312 HydrophobicContact CB-CG1 4.27Å; H274-V312 HydrophobicContact CB-CG2 4.18Å
275	R	88.9	Confident	77.4	Confident	110 Å²	110	66 Å²	66	42%	0.415	35%	0.345	S	S	.	.	H	α-helix	trans	-62.5	-49.7	179.3	-69.8	172	65.1	-163.5	0.5	111.8	D271 H272 L277 Q278 Y279	D271-R275 WeakPolarHBondContact O-CG 3.5Å; D271-R275 PolarHBondContact O-N 2.69Å; D271-R275 VanDerWaalsContact OD2-CD 3.26Å; D271-R275 WeakPolarHBondContact OD2-CD 3.31Å; D271-R275 IonicContact OD2-NH1 2.69Å; H272-R275 PolarHBondContact O-N 2.86Å; R275-L277 VanDerWaalsContact C-N 3.32Å; R275-L277 PolarHBondContact O-N 2.78Å; R275-Q278 PolarHBondContact O-N 2.74Å; R275-Q278 VanDerWaalsContact O-N 3.16Å; R275-Y279 HydrophobicContact CB-CE2 4.35Å; R275-Y279 WeakPolarHBondContact O-CD2 3.15Å; R275-Y279 PolarHBondContact O-N 2.75Å; R275-Y279 VanDerWaalsContact O-N 3.15Å
276	E	88.3	Confident	74.2	Confident	42 Å²	42	75.9 Å²	75.9	20%	0.196	38%	0.384	C	S	.	.	H	α-helix	trans	-62.5	-38	-178.5	-169.5	176.6	149.7	0	0	112.5	S218 L219 V220 H272 S280	S218-E276 VanDerWaalsContact CA-OE1 3.27Å; S218-E276 WeakPolarHBondContact CA-OE1 3.37Å; S218-E276 VanDerWaalsContact CB-OE1 3.24Å; S218-E276 WeakPolarHBondContact CB-OE1 3.34Å; S218-E276 PolarHBondContact OG-OE1 3.31Å; L219-E276 VanDerWaalsContact CB-OE2 3.24Å; L219-E276 WeakPolarHBondContact CB-OE2 3.4Å; L219-E276 PolarHBondContact N-OE1 2.86Å; L219-E276 PolarHBondContact N-OE2 3.01Å; V220-E276 HydrophobicContact CG2-CB 3.92Å; V220-E276 HydrophobicContact CG2-CG 3.88Å; V220-E276 PolarHBondContact N-OE1 2.83Å; V220-E276 PolarHBondContact N-OE2 3.37Å; H272-E276 WeakPolarHBondContact O-CB 3.44Å; H272-E276 PolarHBondContact O-N 2.53Å; E276-S280 WeakPolarHBondContact O-CB 3.38Å; E276-S280 PolarHBondContact O-N 2.72Å; E276-S280 VanDerWaalsContact O-N 3.16Å; E276-S280 PolarHBondContact O-OG 3.07Å
277	L	85.9	Confident	71.3	Confident	21 Å²	21	81.6 Å²	81.6	11%	0.11	42%	0.421	C	S	.	.	H	α-helix	trans	-69.1	-32.3	175.9	-73	172.8	0	0	0	113.2	Y187 F188 V220 L273 R275 R281 V311	Y187-L277 HydrophobicContact CE1-CD1 4.32Å; Y187-L277 HydrophobicContact CE1-CD2 4.46Å; F188-L277 HydrophobicContact CE1-CD1 4.28Å; F188-L277 HydrophobicContact CZ-CD1 4.16Å; V220-L277 HydrophobicContact CG1-CD2 4.01Å; V220-L277 HydrophobicContact CG2-CD2 4.08Å; V220-L277 HydrophobicContact CG2-CG 3.98Å; L273-L277 VanDerWaalsContact O-CB 3.31Å; L273-L277 WeakPolarHBondContact O-CB 3.48Å; L273-L277 WeakPolarHBondContact O-CD1 3.26Å; L273-L277 WeakPolarHBondContact O-CG 3.26Å; L273-L277 PolarHBondContact O-N 2.94Å; L273-L277 VanDerWaalsContact O-N 3.08Å; R275-L277 VanDerWaalsContact C-N 3.32Å; R275-L277 PolarHBondContact O-N 2.78Å; L277-R281 PolarHBondContact O-N 2.83Å; L277-V311 HydrophobicContact CD1-CG1 3.58Å
278	Q	82.1	Confident	68.2	Low	36 Å²	36	82.2 Å²	82.2	17%	0.168	44%	0.439	C	S	.	.	H	α-helix	trans	-68.7	-46.6	175.5	-75.8	-173.3	87.9	0	0	112	H274 R275 S280 R281 T308	H274-Q278 PolarHBondContact CD2-NE2 3.06Å; H274-Q278 VanDerWaalsContact CD2-NE2 3.29Å; H274-Q278 PolarHBondContact CE1-NE2 3.21Å; H274-Q278 PolarHBondContact NE2-NE2 3.44Å; H274-Q278 WeakPolarHBondContact O-CG 3.33Å; H274-Q278 PolarHBondContact O-N 3.23Å; H274-Q278 VanDerWaalsContact O-N 3.13Å; R275-Q278 PolarHBondContact O-N 2.74Å; R275-Q278 VanDerWaalsContact O-N 3.16Å; Q278-S280 VanDerWaalsContact C-N 3.26Å; Q278-S280 PolarHBondContact O-N 2.99Å; Q278-R281 PolarHBondContact O-N 2.8Å; Q278-T308 VanDerWaalsContact CD-O 3.27Å; Q278-T308 WeakPolarHBondContact CG-O 3.23Å; Q278-T308 WeakPolarHBondContact CG-OG1 3.44Å; Q278-T308 PolarHBondContact OE1-O 2.9Å; Q278-T308 PolarHBondContact OE1-OG1 2.69Å
279	Y	68.6	Low	65	Low	170 Å²	170	82.4 Å²	82.4	67%	0.667	45%	0.453	S	S	*	.	H	α-helix	trans	-62.2	-35.8	177.6	-70.1	-67.1	0	0	0	112.2	R275 R281 N282	R275-Y279 HydrophobicContact CB-CE2 4.35Å; R275-Y279 WeakPolarHBondContact O-CD2 3.15Å; R275-Y279 PolarHBondContact O-N 2.75Å; R275-Y279 VanDerWaalsContact O-N 3.15Å; Y279-R281 VanDerWaalsContact C-N 3.28Å; Y279-R281 PolarHBondContact O-N 2.89Å; Y279-N282 PolarHBondContact O-N 3.1Å
280	S	59.4	Low	62.3	Low	92 Å²	92	87.6 Å²	87.6	64%	0.643	49%	0.487	S	S	*	.	H	α-helix	trans	-68.6	-24	-179.5	-62	0	0	0	0	114	E276 Q278	E276-S280 WeakPolarHBondContact O-CB 3.38Å; E276-S280 PolarHBondContact O-N 2.72Å; E276-S280 VanDerWaalsContact O-N 3.16Å; E276-S280 PolarHBondContact O-OG 3.07Å; Q278-S280 VanDerWaalsContact C-N 3.26Å; Q278-S280 PolarHBondContact O-N 2.99Å
281	R	53.8	Low	59.4	Low	191 Å²	191	95.4 Å²	95.4	72%	0.721	52%	0.523	S	S	*	.	H	α-helix	trans	-82.5	-29.4	179.1	-162.5	173.9	-173.7	175.4	1.8	112.5	L277 Q278 Y279 G283	L277-R281 PolarHBondContact O-N 2.83Å; Q278-R281 PolarHBondContact O-N 2.8Å; Y279-R281 VanDerWaalsContact C-N 3.28Å; Y279-R281 PolarHBondContact O-N 2.89Å; R281-G283 PolarHBondContact O-N 2.93Å
282	N	44.1	Very low	56.3	Low	93 Å²	93	99.9 Å²	99.9	50%	0.497	55%	0.547	S	S	.	.			trans	-97.4	51.7	-173.8	-67.1	-12.2	0	0	0	112.7	Y279 A284	Y279-N282 PolarHBondContact O-N 3.1Å; N282-A284 PolarHBondContact O-N 3.36Å
283	G	42.6	Very low	53.4	Low	85 Å²	85	101.8 Å²	101.8	88%	0.876	58%	0.576	S	S	*	*			trans	-61.6	25.3	179.1	0	0	0	0	0	117.2	R281	R281-G283 PolarHBondContact O-N 2.93Å
284	A	34.9	Very low	50.5	Low	74 Å²	74	108.2 Å²	108.2	61%	0.612	62%	0.615	S	S	*	*	S	Bend	trans	-121.7	107.8	168.2	0	0	0	0	0	109.2	N282 Y286	N282-A284 PolarHBondContact O-N 3.36Å; A284-Y286 PolarHBondContact O-N 3.41Å
285	S	35	Very low	47.5	Very low	119 Å²	119	118.3 Å²	118.3	83%	0.832	65%	0.652	S	S	*	*			trans	-61.7	117.5	168.7	-51.8	0	0	0	0	109.9
286	Y	28.6	Very low	44.9	Very low	208 Å²	208	120.1 Å²	120.1	82%	0.816	67%	0.669	S	S	*	*			trans	-119.9	119.8	144.4	-74.9	-77.4	0	0	0	107.4	A284 V288	A284-Y286 PolarHBondContact O-N 3.41Å; Y286-V288 PolarHBondContact O-N 2.84Å
287	P	36.5	Very low	41.9	Very low	121 Å²	121	123.4 Å²	123.4	79%	0.786	70%	0.697	S	S	*	*			trans	-66.8	117.1	165.1	27.5	-28.5	0	0	0	107.1	S289	P287-S289 PolarHBondContact O-N 2.71Å
288	V	29.3	Very low	39.4	Very low	138 Å²	138	128 Å²	128	84%	0.836	73%	0.725	S	S	*	*			trans	-66.7	107.1	166.2	177.9	0	0	0	0	106.4	Y286	Y286-V288 PolarHBondContact O-N 2.84Å
289	S	28.7	Very low	36.9	Very low	93 Å²	93	132.4 Å²	132.4	65%	0.65	76%	0.755	S	S	*	*			trans	-66.7	136.4	167.6	-170.4	0	0	0	0	108.7	P287 Q291	P287-S289 PolarHBondContact O-N 2.71Å; S289-Q291 VanDerWaalsContact C-N 3.33Å; S289-Q291 PolarHBondContact O-N 3.34Å
290	P	38.6	Very low	35	Very low	110 Å²	110	131.7 Å²	131.7	71%	0.714	76%	0.763	S	S	*	*	S	Bend	trans	-80.9	85.7	174	32	-28.4	0	0	0	108.3
291	Q	35.7	Very low	34	Very low	165 Å²	165	133.9 Å²	133.9	77%	0.771	78%	0.779	S	S	*	*			trans	173.6	109.3	156.8	-98	157.5	100.8	0	0	109.7	S289	S289-Q291 VanDerWaalsContact C-N 3.33Å; S289-Q291 PolarHBondContact O-N 3.34Å
292	D	27.4	Very low	33	Very low	163 Å²	163	133.5 Å²	133.5	87%	0.872	78%	0.782	S	S	*	*				163.6	140.4	128.7	-83.8	-28.1	0	0	0	111.9
293	G	30.9	Very low	32.5	Very low	75 Å²	75	133 Å²	133	77%	0.773	79%	0.785	S	S	*	*			trans	-61.1	138.3	-161.2	0	0	0	0	0	116.7	R295	G293-R295 PolarHBondContact O-N 2.99Å
294	V	29.9	Very low	32	Very low	134 Å²	134	133.3 Å²	133.3	81%	0.812	77%	0.772	S	S	*	*			trans	-64.4	112.1	169	179	0	0	0	0	109.4	L296	V294-L296 HydrophobicContact CG1-CD1 4.32Å
295	R	28.1	Very low	32.4	Very low	245 Å²	245	134.4 Å²	134.4	93%	0.925	77%	0.767	S	S	*	*			trans	-86.4	117.2	157.3	-93.2	-173.2	169.2	-166	-2.6	108.8	G293	G293-R295 PolarHBondContact O-N 2.99Å
296	L	33.6	Very low	32.8	Very low	147 Å²	147	136.1 Å²	136.1	77%	0.77	77%	0.767	S	S	*	*			trans	-61.8	129.5	168.5	-91.8	76.5	0	0	0	110.1	V294	V294-L296 HydrophobicContact CG1-CD1 4.32Å
297	S	25.4	Very low	34.1	Very low	111 Å²	111	128.2 Å²	128.2	78%	0.776	75%	0.748	S	S	*	*			trans	-98.3	111.5	154.4	177.1	0	0	0	0	107.4	T299	S297-T299 PolarHBondContact O-N 2.99Å
298	T	33.8	Very low	35.4	Very low	117 Å²	117	125.2 Å²	125.2	72%	0.718	73%	0.728	S	S	*	*			trans	-72.9	108.4	172.5	45.8	0	0	0	0	109.4
299	T	29.3	Very low	37.7	Very low	130 Å²	130	121.7 Å²	121.7	80%	0.798	71%	0.709	S	S	*	*			trans	176	134.4	148.3	27.7	0	0	0	0	108.8	S297	S297-T299 PolarHBondContact O-N 2.99Å
300	D	28.8	Very low	40.6	Very low	154 Å²	154	117.8 Å²	117.8	82%	0.824	68%	0.682	S	S	*	*			trans	75.3	96.9	178.1	-72.7	-3.3	0	0	0	119.9	K302	D300-K302 VanDerWaalsContact C-N 3.27Å; D300-K302 PolarHBondContact O-N 3.05Å
301	S	39.6	Very low	43.1	Very low	139 Å²	139	113.2 Å²	113.2	97%	0.972	65%	0.652	S	S	*	*			trans	-55.6	75.1	160.6	-55.9	0	0	0	0	113.1
302	K	32.8	Very low	45.9	Very low	183 Å²	183	105.4 Å²	105.4	80%	0.796	62%	0.616	S	S	*	*			trans	-107.6	113.9	171.9	-147.2	167.4	-170.5	165.8	0	108.8	D300 C304	D300-K302 VanDerWaalsContact C-N 3.27Å; D300-K302 PolarHBondContact O-N 3.05Å; K302-C304 PolarHBondContact O-N 3.3Å
303	C	32.6	Very low	49	Very low	81 Å²	81	99 Å²	99	55%	0.547	58%	0.582	S	S	.	*			trans	-51.8	97.9	174.5	-102.4	0	0	0	0	110.3	I305	C303-I305 PolarHBondContact O-N 3.5Å
304	C	33.2	Very low	52	Low	92 Å²	92	98.2 Å²	98.2	62%	0.622	57%	0.565	S	S	*	*			trans	-80.9	106.3	175.9	41.5	0	0	0	0	108.6	K302 N306	K302-C304 PolarHBondContact O-N 3.3Å; C304-N306 WeakPolarHBondContact CB-OD1 3.37Å; C304-N306 PolarHBondContact O-N 3.47Å; C304-N306 PolarHBondContact SG-OD1 2.86Å; C304-N306 VanDerWaalsContact SG-OD1 3.39Å
305	I	42.4	Very low	55.1	Low	98 Å²	98	92.1 Å²	92.1	50%	0.503	53%	0.528	S	S	.	.			trans	-58.5	102.7	148.4	-59	174.5	0	0	0	104.1	C303 G307	C303-I305 PolarHBondContact O-N 3.5Å; I305-G307 PolarHBondContact O-N 3.16Å
306	N	43.8	Very low	58.3	Low	155 Å²	155	80.5 Å²	80.5	83%	0.829	48%	0.484	S	S	*	.	S	Bend	trans	-69.6	76.7	178.7	-79.5	-10.7	0	0	0	109.3	C304	C304-N306 WeakPolarHBondContact CB-OD1 3.37Å; C304-N306 PolarHBondContact O-N 3.47Å; C304-N306 PolarHBondContact SG-OD1 2.86Å; C304-N306 VanDerWaalsContact SG-OD1 3.39Å
307	G	56	Low	61.3	Low	41 Å²	41	74 Å²	74	42%	0.423	45%	0.454	S	S	.	.	S	Bend	trans	173.6	145.4	178.7	0	0	0	0	0	111.9	I305 S309	I305-G307 PolarHBondContact O-N 3.16Å; G307-S309 PolarHBondContact O-N 3.46Å
308	T	63.4	Low	64.5	Low	58 Å²	58	68.9 Å²	68.9	36%	0.356	42%	0.418	S	S	.	.			trans	-64.6	128.7	172.8	42.9	0	0	0	0	110.3	Q278	Q278-T308 VanDerWaalsContact CD-O 3.27Å; Q278-T308 WeakPolarHBondContact CG-O 3.23Å; Q278-T308 WeakPolarHBondContact CG-OG1 3.44Å; Q278-T308 PolarHBondContact OE1-O 2.9Å; Q278-T308 PolarHBondContact OE1-OG1 2.69Å
309	S	77.3	Confident	67.4	Low	64 Å²	64	64.4 Å²	64.4	45%	0.448	39%	0.389	S	S	.	.			trans	-62.1	137.8	178.7	-180	0	0	0	0	111.8	G307 S314	G307-S309 PolarHBondContact O-N 3.46Å; S309-S314 PolarHBondContact OG-OG 3.37Å; S309-S314 VanDerWaalsContact OG-OG 3.06Å
310	S	89.8	Confident	70.5	Confident	11 Å²	11	59 Å²	59	8%	0.077	36%	0.356	C	S	.	.			trans	-117.2	173.7	170.8	84.1	0	0	0	0	110.3	H274 V312 T313 S314	H274-S310 WeakPolarHBondContact ND1-CB 3.42Å; H274-S310 PolarHBondContact ND1-OG 3.35Å; S310-V312 PolarHBondContact O-N 2.79Å; S310-V312 PolarHBondContact OG-N 2.92Å; S310-T313 PolarHBondContact N-OG1 3.32Å; S310-T313 VanDerWaalsContact N-OG1 3.13Å; S310-T313 PolarHBondContact O-N 2.94Å; S310-T313 PolarHBondContact O-OG1 2.61Å; S310-S314 WeakPolarHBondContact O-CB 3.28Å; S310-S314 PolarHBondContact O-N 2.74Å; S310-S314 PolarHBondContact O-OG 2.87Å
311	V	91.4	Very high	73.7	Confident	15 Å²	15	52.1 Å²	52.1	9%	0.091	32%	0.318	C	S	.	.	H	α-helix	trans	-53.8	-36.5	173.5	69.9	0	0	0	0	111.8	F184 Y187 F188 L277 S314 V315	F184-V311 HydrophobicContact CE2-CG1 4.38Å; Y187-V311 HydrophobicContact CD1-CB 3.71Å; Y187-V311 HydrophobicContact CD1-CG1 3.62Å; Y187-V311 HydrophobicContact CD1-CG2 3.7Å; Y187-V311 HydrophobicContact CD2-CB 4.15Å; Y187-V311 HydrophobicContact CD2-CG2 3.94Å; Y187-V311 HydrophobicContact CE1-CB 3.77Å; Y187-V311 HydrophobicContact CE1-CG1 3.6Å; Y187-V311 HydrophobicContact CE1-CG2 4.28Å; Y187-V311 HydrophobicContact CE2-CB 4.19Å; Y187-V311 HydrophobicContact CE2-CG2 4.48Å; Y187-V311 HydrophobicContact CG-CB 3.91Å; Y187-V311 HydrophobicContact CG-CG1 4.31Å; Y187-V311 HydrophobicContact CG-CG2 3.51Å; F188-V311 HydrophobicContact CE2-CG1 3.9Å; F188-V311 HydrophobicContact CZ-CG1 3.84Å; L277-V311 HydrophobicContact CD1-CG1 3.58Å; V311-S314 PolarHBondContact O-N 3.04Å; V311-V315 HydrophobicContact CG2-CG2 3.92Å; V311-V315 VanDerWaalsContact O-CB 3.3Å; V311-V315 WeakPolarHBondContact O-CB 3.44Å; V311-V315 VanDerWaalsContact O-CG2 3.23Å; V311-V315 WeakPolarHBondContact O-CG2 3.4Å; V311-V315 PolarHBondContact O-N 3.11Å
312	V	94.1	Very high	76.2	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.4	-52.8	-179.3	177.9	0	0	0	0	110.5	F184 L270 L273 H274 S310 S314 V315 F316 L340	F184-V312 HydrophobicContact CE2-CG2 4.16Å; L270-V312 HydrophobicContact CB-CG1 3.94Å; L270-V312 HydrophobicContact CD2-CG1 4.26Å; L273-V312 HydrophobicContact CB-CG2 4.04Å; H274-V312 HydrophobicContact CB-CB 4.04Å; H274-V312 HydrophobicContact CB-CG1 4.27Å; H274-V312 HydrophobicContact CB-CG2 4.18Å; S310-V312 PolarHBondContact O-N 2.79Å; S310-V312 PolarHBondContact OG-N 2.92Å; V312-S314 VanDerWaalsContact C-N 3.3Å; V312-S314 PolarHBondContact O-N 3.25Å; V312-V315 PolarHBondContact O-N 3.03Å; V312-F316 PolarHBondContact O-N 3.06Å; V312-L340 HydrophobicContact CG1-CD1 4.04Å; V312-L340 HydrophobicContact CG1-CD2 4.17Å
313	T	93.3	Very high	79.1	Confident	28 Å²	28	39.5 Å²	39.5	17%	0.172	25%	0.248	C	C	.	.	H	α-helix	trans	-75	-20.5	179.8	53.7	0	0	0	0	113	S310 G317 L340	S310-T313 PolarHBondContact N-OG1 3.32Å; S310-T313 VanDerWaalsContact N-OG1 3.13Å; S310-T313 PolarHBondContact O-N 2.94Å; S310-T313 PolarHBondContact O-OG1 2.61Å; T313-G317 WeakPolarHBondContact O-CA 3.36Å; T313-G317 PolarHBondContact O-N 3.43Å; T313-L340 HydrophobicContact CG2-CD2 4.28Å
314	S	92.8	Very high	82.1	Confident	59 Å²	59	36.1 Å²	36.1	41%	0.413	23%	0.225	S	C	.	.	H	α-helix	trans	-75.8	-32.6	173.1	-60.2	0	0	0	0	112.7	S309 S310 V311 V312	S309-S314 PolarHBondContact OG-OG 3.37Å; S309-S314 VanDerWaalsContact OG-OG 3.06Å; S310-S314 WeakPolarHBondContact O-CB 3.28Å; S310-S314 PolarHBondContact O-N 2.74Å; S310-S314 PolarHBondContact O-OG 2.87Å; V311-S314 PolarHBondContact O-N 3.04Å; V312-S314 VanDerWaalsContact C-N 3.3Å; V312-S314 PolarHBondContact O-N 3.25Å
315	V	95	Very high	85.1	Confident	7 Å²	7	33.6 Å²	33.6	4%	0.042	21%	0.205	C	C	.	.	H	α-helix	trans	-92.1	-53.8	-177.3	173.9	0	0	0	0	111.1	Q183 F184 V311 V312 K407 V408	Q183-V315 HydrophobicContact CB-CG1 4.45Å; Q183-V315 WeakPolarHBondContact O-CG2 3.33Å; F184-V315 HydrophobicContact CB-CG1 4.24Å; V311-V315 HydrophobicContact CG2-CG2 3.92Å; V311-V315 VanDerWaalsContact O-CB 3.3Å; V311-V315 WeakPolarHBondContact O-CB 3.44Å; V311-V315 VanDerWaalsContact O-CG2 3.23Å; V311-V315 WeakPolarHBondContact O-CG2 3.4Å; V311-V315 PolarHBondContact O-N 3.11Å; V312-V315 PolarHBondContact O-N 3.03Å; V315-K407 PolarHBondContact O-N 3.49Å; V315-K407 VanDerWaalsContact O-N 3.07Å; V315-V408 HydrophobicContact CG1-CB 3.83Å; V315-V408 HydrophobicContact CG1-CG2 3.43Å; V315-V408 VanDerWaalsContact CG1-CG2 3.43Å; V315-V408 PolarHBondContact O-N 3.43Å
316	F	96.8	Very high	87.7	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-10.1	-174.3	-62	-77.8	0	0	0	114	L178 I181 F184 L270 V312 G318 L340 P406 V408 C410 F509	L178-F316 HydrophobicContact CD2-CE2 4.41Å; L178-F316 HydrophobicContact CD2-CZ 3.79Å; I181-F316 HydrophobicContact CD1-CE1 4.18Å; I181-F316 HydrophobicContact CD1-CZ 4.07Å; F184-F316 HydrophobicContact CB-CE2 4.3Å; F184-F316 HydrophobicContact CB-CZ 4.39Å; F184-F316 HydrophobicContact CD1-CE2 4.32Å; F184-F316 HydrophobicContact CD2-CD2 4.26Å; F184-F316 AromaticContact CD2-CE2 3.46Å; F184-F316 HydrophobicContact CD2-CE2 3.46Å; F184-F316 VanDerWaalsContact CD2-CE2 3.46Å; F184-F316 HydrophobicContact CD2-CZ 4.31Å; F184-F316 HydrophobicContact CE2-CD2 4.35Å; F184-F316 AromaticContact CE2-CE2 3.69Å; F184-F316 HydrophobicContact CE2-CE2 3.69Å; F184-F316 AromaticContact CG-CE2 3.78Å; F184-F316 HydrophobicContact CG-CE2 3.78Å; F184-F316 HydrophobicContact CG-CZ 4.19Å; F184-F316 HydrophobicContact CZ-CE2 4.22Å; L270-F316 HydrophobicContact CD1-CD2 4.33Å; L270-F316 HydrophobicContact CD2-CD2 4.25Å; L270-F316 HydrophobicContact CD2-CE2 4.02Å; V312-F316 PolarHBondContact O-N 3.06Å; F316-G318 PolarHBondContact O-N 2.85Å; F316-L340 HydrophobicContact CB-CB 4.44Å; F316-L340 HydrophobicContact CB-CD2 4.14Å; F316-L340 WeakPolarHBondContact O-CA 2.96Å; F316-P406 VanDerWaalsContact C-CB 3.42Å; F316-P406 VanDerWaalsContact O-CB 3.29Å; F316-P406 WeakPolarHBondContact O-CB 3.31Å; F316-V408 HydrophobicContact CD1-CB 3.87Å; F316-V408 HydrophobicContact CD1-CG1 3.89Å; F316-V408 HydrophobicContact CE1-CB 3.8Å; F316-V408 HydrophobicContact CE1-CG1 3.45Å; F316-V408 VanDerWaalsContact CE1-CG1 3.45Å; F316-V408 HydrophobicContact CZ-CG1 4.33Å; F316-C410 HydrophobicContact CD1-CB 4.49Å; F316-F509 HydrophobicContact CE1-CD1 4.12Å; F316-F509 HydrophobicContact CE1-CE1 4.28Å
317	G	95.1	Very high	90.2	Very high	12 Å²	12	25.9 Å²	25.9	12%	0.124	16%	0.164	C	C	.	.			trans	-76.8	116.6	-172.4	0	0	0	0	0	113.8	T313 F339	T313-G317 WeakPolarHBondContact O-CA 3.36Å; T313-G317 PolarHBondContact O-N 3.43Å; G317-F339 WeakPolarHBondContact CA-O 3.35Å
318	G	94.1	Very high	92.1	Very high	2 Å²	2	29.1 Å²	29.1	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	177.7	168.2	0	0	0	0	0	112.5	F316 P338 F339 K404	F316-G318 PolarHBondContact O-N 2.85Å; G318-P338 WeakPolarHBondContact O-CA 3.31Å; G318-F339 VanDerWaalsContact CA-CE1 3.5Å; G318-F339 PolarHBondContact N-O 2.85Å; G318-F339 PolarHBondContact O-N 3.15Å; G318-K404 CarbonylContact C-O 3.53Å; G318-K404 WeakPolarHBondContact CA-O 3.04Å
319	I	94.2	Very high	93.6	Very high	24 Å²	24	29 Å²	29	12%	0.123	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124.9	175.7	-56.6	174.2	0	0	0	109.1	F336 F339 Q403 K404	I319-F336 HydrophobicContact CG2-CB 4.14Å; I319-F336 HydrophobicContact CG2-CD1 4.39Å; I319-F339 VanDerWaalsContact N-CE1 3.3Å; I319-Q403 HydrophobicContact CB-CB 4.47Å; I319-Q403 HydrophobicContact CG2-CB 4.34Å; I319-Q403 PolarHBondContact O-N 3.06Å; I319-K404 HydrophobicContact CB-CB 3.91Å; I319-K404 HydrophobicContact CD1-CB 4.22Å; I319-K404 HydrophobicContact CD1-CD 4.14Å; I319-K404 HydrophobicContact CG1-CB 4.04Å; I319-K404 HydrophobicContact CG1-CD 4.32Å; I319-K404 PolarHBondContact N-O 3.29Å; I319-K404 PolarHBondContact O-N 3.49Å; I319-K404 VanDerWaalsContact O-N 3.11Å
320	L	95.1	Very high	94.5	Very high	17 Å²	17	28.9 Å²	28.9	9%	0.089	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	143.4	166.8	-70	169.6	0	0	0	109.6	F336 D337 F339 L342 F373 W401 I402	L320-F336 CarbonylContact O-C 3.5Å; L320-F336 WeakPolarHBondContact O-CA 3.3Å; L320-D337 HydrophobicContact CB-CB 4.42Å; L320-D337 PolarHBondContact N-O 2.94Å; L320-D337 PolarHBondContact O-N 2.9Å; L320-F339 HydrophobicContact CB-CD1 4.46Å; L320-F339 HydrophobicContact CD1-CD1 4.21Å; L320-F339 HydrophobicContact CD2-CD1 4.38Å; L320-F339 HydrophobicContact CD2-CE1 4.2Å; L320-F339 HydrophobicContact CG-CD1 3.62Å; L320-F339 HydrophobicContact CG-CE1 3.91Å; L320-F339 HydrophobicContact CG-CG 4.45Å; L320-L342 HydrophobicContact CD1-CD2 3.92Å; L320-L342 HydrophobicContact CD2-CD2 4.04Å; L320-L342 HydrophobicContact CG-CD2 4.23Å; L320-F373 HydrophobicContact CD1-CE1 4.48Å; L320-F373 HydrophobicContact CD1-CZ 4.01Å; L320-F373 HydrophobicContact CD2-CE1 3.97Å; L320-F373 HydrophobicContact CD2-CZ 4.33Å; L320-W401 CarbonylContact C-O 3.52Å; L320-W401 WeakPolarHBondContact CA-O 3.34Å; L320-I402 HydrophobicContact CD2-CG1 3.96Å
321	Q	94.1	Very high	94.7	Very high	8 Å²	8	29 Å²	29	4%	0.037	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	116.2	162.7	-179.8	-178.8	-62.7	0	0	107.9	K335 F336 W401 Q403	Q321-K335 WeakPolarHBondContact CA-O 3.46Å; Q321-F336 HydrophobicContact CB-CD1 4.09Å; Q321-F336 HydrophobicContact CB-CE1 4.06Å; Q321-F336 HydrophobicContact CG-CD1 4.21Å; Q321-F336 HydrophobicContact CG-CE1 3.85Å; Q321-F336 VanDerWaalsContact OE1-CE1 3.27Å; Q321-W401 HydrophobicContact CB-CB 4.35Å; Q321-W401 PolarHBondContact N-O 2.94Å; Q321-W401 PolarHBondContact O-N 2.85Å; Q321-Q403 HydrophobicContact CB-CB 4.5Å
322	N	93.3	Very high	94.8	Very high	25 Å²	25	31.8 Å²	31.8	13%	0.134	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	122.1	173.2	-179.7	12.4	0	0	0	108.7	R334 K335 K398 F400	N322-R334 CarbonylContact O-C 3.54Å; N322-R334 WeakPolarHBondContact O-CA 3.38Å; N322-K335 HydrophobicContact CB-CB 4.46Å; N322-K335 PolarHBondContact N-O 3.11Å; N322-K335 PolarHBondContact O-N 3.33Å; N322-K398 WeakPolarHBondContact OD1-CG 3.37Å; N322-F400 HydrophobicContact CB-CD1 3.99Å; N322-F400 HydrophobicContact CB-CE1 3.85Å
323	E	93.9	Very high	94.8	Very high	33 Å²	33	33.5 Å²	33.5	15%	0.154	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.9	-180	-169.8	-172.5	141.1	0	0	109.3	N325 E332 S333 R334 K398 K399 W401	E323-N325 PolarHBondContact OE1-ND2 3.12Å; E323-E332 HydrophobicContact CG-CG 3.99Å; E323-E332 VanDerWaalsContact CG-OE1 3.3Å; E323-E332 WeakPolarHBondContact CG-OE1 3.37Å; E323-S333 CarbonylContact C-O 3.44Å; E323-S333 WeakPolarHBondContact CA-O 3.23Å; E323-R334 HydrophobicContact CG-CG 4.4Å; E323-K398 CarbonylContact O-C 3.58Å; E323-K398 VanDerWaalsContact O-CA 3.28Å; E323-K398 WeakPolarHBondContact O-CA 3.34Å; E323-K399 PolarHBondContact N-O 2.88Å; E323-K399 PolarHBondContact O-N 3.31Å; E323-W401 PolarHBondContact OE2-NE1 3.35Å
324	V	95.4	Very high	94.9	Very high	10 Å²	10	39.1 Å²	39.1	6%	0.061	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	122.1	177.2	-179.5	0	0	0	0	109.5	E332 S333 Y385 T397 K398	V324-E332 CarbonylContact O-C 3.53Å; V324-S333 PolarHBondContact N-O 3.49Å; V324-S333 PolarHBondContact O-N 2.95Å; V324-Y385 HydrophobicContact CG1-CD1 3.72Å; V324-Y385 HydrophobicContact CG1-CD2 4.14Å; V324-Y385 HydrophobicContact CG1-CE1 4.14Å; V324-Y385 HydrophobicContact CG1-CG 3.72Å; V324-T397 CarbonylContact C-O 3.58Å; V324-T397 VanDerWaalsContact CA-O 3.26Å; V324-T397 WeakPolarHBondContact CA-O 3.49Å; V324-K398 HydrophobicContact CG2-CB 4.36Å; V324-K398 HydrophobicContact CG2-CD 4.36Å; V324-K398 HydrophobicContact CG2-CG 4.23Å
325	N	96.4	Very high	94.9	Very high	38 Å²	38	42 Å²	42	20%	0.203	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	119.7	-179.1	-72	-55.7	0	0	0	110.6	E323 L327 E332 S396 T397	E323-N325 PolarHBondContact OE1-ND2 3.12Å; N325-L327 PolarHBondContact O-N 3.43Å; N325-E332 WeakPolarHBondContact OD1-CA 3.44Å; N325-E332 WeakPolarHBondContact OD1-CB 3.37Å; N325-E332 WeakPolarHBondContact OD1-CG 3.41Å; N325-S396 CarbonylContact O-C 3.47Å; N325-S396 WeakPolarHBondContact O-CA 3.04Å; N325-S396 VanDerWaalsContact O-CB 3.28Å; N325-S396 WeakPolarHBondContact O-CB 3.37Å; N325-T397 WeakPolarHBondContact CB-OG1 3.22Å; N325-T397 PolarHBondContact N-O 3.21Å; N325-T397 PolarHBondContact O-N 3Å
326	C	96.4	Very high	94.8	Very high	4 Å²	4	45.7 Å²	45.7	3%	0.027	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	120.3	176.6	178.3	0	0	0	0	110.8	I328 G330 T331 C387	C326-I328 PolarHBondContact O-N 2.92Å; C326-G330 VanDerWaalsContact O-CA 3.28Å; C326-G330 WeakPolarHBondContact O-CA 3.48Å; C326-G330 PolarHBondContact O-N 2.84Å; C326-T331 PolarHBondContact N-O 2.88Å; C326-C387 HydrophobicContact CB-CB 4.36Å
327	L	96	Very high	94.7	Very high	88 Å²	88	47.5 Å²	47.5	46%	0.461	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-11	-177	-65.1	178.3	0	0	0	113.9	N325 K395 T397	N325-L327 PolarHBondContact O-N 3.43Å; L327-K395 WeakPolarHBondContact CB-O 3.36Å; L327-K395 HydrophobicContact CD1-CB 4.25Å; L327-K395 PolarHBondContact N-O 3.4Å; L327-T397 HydrophobicContact CD1-CG2 4.32Å; L327-T397 HydrophobicContact CD2-CG2 3.88Å; L327-T397 HydrophobicContact CG-CG2 4.37Å
328	I	95.9	Very high	94.7	Very high	109 Å²	109	51.2 Å²	51.2	56%	0.559	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-37.4	-178.1	-53.7	-55	0	0	0	112.4	C326 Q394	C326-I328 PolarHBondContact O-N 2.92Å; I328-Q394 HydrophobicContact CG1-CB 4.28Å; I328-Q394 HydrophobicContact CG1-CG 4.34Å
329	C	95.6	Very high	94.7	Very high	56 Å²	56	52 Å²	52	38%	0.378	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.4	1.5	-174.3	67.9	0	0	0	0	114	T331	C329-T331 PolarHBondContact O-N 3.23Å; C329-T331 PolarHBondContact SG-OG1 3Å
330	G	94.9	Very high	94.9	Very high	60 Å²	60	53 Å²	53	62%	0.619	28%	0.283	S	S	*	.			trans	66.7	13	-179.7	0	0	0	0	0	114.8	C326 E332	C326-G330 VanDerWaalsContact O-CA 3.28Å; C326-G330 WeakPolarHBondContact O-CA 3.48Å; C326-G330 PolarHBondContact O-N 2.84Å; G330-E332 PolarHBondContact O-N 3.02Å
331	T	94.9	Very high	95	Very high	14 Å²	14	52.8 Å²	52.8	9%	0.086	28%	0.282	C	S	.	.			trans	-73	123.1	179	-61.3	0	0	0	0	110.4	C326 C329 H388 K389	C326-T331 PolarHBondContact N-O 2.88Å; C329-T331 PolarHBondContact O-N 3.23Å; C329-T331 PolarHBondContact SG-OG1 3Å; T331-H388 WeakPolarHBondContact CG2-CE1 3.07Å; T331-K389 HydrophobicContact CG2-CD 4.3Å; T331-K389 HydrophobicContact CG2-CG 4.16Å; T331-K389 WeakPolarHBondContact OG1-CD 3.43Å; T331-K389 VanDerWaalsContact OG1-CE 3.28Å; T331-K389 WeakPolarHBondContact OG1-CE 3.46Å
332	E	94.4	Very high	95.2	Very high	74 Å²	74	52.6 Å²	52.6	35%	0.346	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	141.6	174.8	-174.7	176.8	-174.7	0	0	111.1	E323 V324 N325 G330 R334	E323-E332 HydrophobicContact CG-CG 3.99Å; E323-E332 VanDerWaalsContact CG-OE1 3.3Å; E323-E332 WeakPolarHBondContact CG-OE1 3.37Å; V324-E332 CarbonylContact O-C 3.53Å; N325-E332 WeakPolarHBondContact OD1-CA 3.44Å; N325-E332 WeakPolarHBondContact OD1-CB 3.37Å; N325-E332 WeakPolarHBondContact OD1-CG 3.41Å; G330-E332 PolarHBondContact O-N 3.02Å; E332-R334 VanDerWaalsContact CD-NH2 3.29Å; E332-R334 HydrophobicContact CG-CG 4.31Å; E332-R334 IonicContact OE1-CZ 3.91Å; E332-R334 IonicContact OE1-NE 3.59Å; E332-R334 PolarHBondContact OE1-NE 3.21Å; E332-R334 IonicContact OE1-NH2 2.77Å; E332-R334 PolarHBondContact OE1-NH2 3.09Å; E332-R334 IonicContact OE2-CZ 2.74Å; E332-R334 IonicContact OE2-NE 3.43Å; E332-R334 IonicContact OE2-NH2 3.04Å; E332-R334 PolarHBondContact OE2-NH2 2.96Å
333	S	93.7	Very high	95.4	Very high	35 Å²	35	52.6 Å²	52.6	25%	0.245	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	127.5	173.6	-174.2	0	0	0	0	109	E323 V324 Y385	E323-S333 CarbonylContact C-O 3.44Å; E323-S333 WeakPolarHBondContact CA-O 3.23Å; V324-S333 PolarHBondContact N-O 3.49Å; V324-S333 PolarHBondContact O-N 2.95Å; S333-Y385 PolarHBondContact OG-OH 3.36Å
334	R	93.9	Very high	95.5	Very high	146 Å²	146	51 Å²	51	55%	0.551	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	134.5	179.4	-64	-178.6	-175.3	170.5	6.7	110.4	N322 E323 E332	N322-R334 CarbonylContact O-C 3.54Å; N322-R334 WeakPolarHBondContact O-CA 3.38Å; E323-R334 HydrophobicContact CG-CG 4.4Å; E332-R334 VanDerWaalsContact CD-NH2 3.29Å; E332-R334 HydrophobicContact CG-CG 4.31Å; E332-R334 IonicContact OE1-CZ 3.91Å; E332-R334 IonicContact OE1-NE 3.59Å; E332-R334 PolarHBondContact OE1-NE 3.21Å; E332-R334 IonicContact OE1-NH2 2.77Å; E332-R334 PolarHBondContact OE1-NH2 3.09Å; E332-R334 IonicContact OE2-CZ 2.74Å; E332-R334 IonicContact OE2-NE 3.43Å; E332-R334 IonicContact OE2-NH2 3.04Å; E332-R334 PolarHBondContact OE2-NH2 2.96Å
335	K	93.1	Very high	95.5	Very high	121 Å²	121	53.4 Å²	53.4	53%	0.526	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	136.9	175.2	-170.1	-174.9	-179	-135.1	0	110.3	Q321 N322 D337	Q321-K335 WeakPolarHBondContact CA-O 3.46Å; N322-K335 HydrophobicContact CB-CB 4.46Å; N322-K335 PolarHBondContact N-O 3.11Å; N322-K335 PolarHBondContact O-N 3.33Å; K335-D337 WeakPolarHBondContact CD-OD1 3.39Å; K335-D337 WeakPolarHBondContact CE-OD1 3.11Å; K335-D337 IonicContact NZ-OD1 3.63Å; K335-D337 PolarHBondContact NZ-OD1 3.4Å; K335-D337 IonicContact NZ-OD2 2.83Å
336	F	94.4	Very high	95.4	Very high	84 Å²	84	51.6 Å²	51.6	37%	0.368	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	116.6	175.8	-59.4	-74.1	0	0	0	109.7	I319 L320 Q321 Q403	I319-F336 HydrophobicContact CG2-CB 4.14Å; I319-F336 HydrophobicContact CG2-CD1 4.39Å; L320-F336 CarbonylContact O-C 3.5Å; L320-F336 WeakPolarHBondContact O-CA 3.3Å; Q321-F336 HydrophobicContact CB-CD1 4.09Å; Q321-F336 HydrophobicContact CB-CE1 4.06Å; Q321-F336 HydrophobicContact CG-CD1 4.21Å; Q321-F336 HydrophobicContact CG-CE1 3.85Å; Q321-F336 VanDerWaalsContact OE1-CE1 3.27Å; F336-Q403 VanDerWaalsContact CE1-CD 3.5Å
337	D	93.8	Very high	95.2	Very high	37 Å²	37	51.8 Å²	51.8	20%	0.198	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	110.1	-174.5	-71.6	-44.5	0	0	0	109.6	L320 K335	L320-D337 HydrophobicContact CB-CB 4.42Å; L320-D337 PolarHBondContact N-O 2.94Å; L320-D337 PolarHBondContact O-N 2.9Å; K335-D337 WeakPolarHBondContact CD-OD1 3.39Å; K335-D337 WeakPolarHBondContact CE-OD1 3.11Å; K335-D337 IonicContact NZ-OD1 3.63Å; K335-D337 PolarHBondContact NZ-OD1 3.4Å; K335-D337 IonicContact NZ-OD2 2.83Å
338	P	94.6	Very high	94.8	Very high	91 Å²	91	51.6 Å²	51.6	59%	0.591	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	144.3	175.1	28.5	-33.4	0	0	0	110.6	G318	G318-P338 WeakPolarHBondContact O-CA 3.31Å
339	F	95.6	Very high	94.3	Very high	19 Å²	19	52.2 Å²	52.2	8%	0.083	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	154.8	178.6	71.9	-90.5	0	0	0	112.1	G317 G318 I319 L320 L342 P406 L409	G317-F339 WeakPolarHBondContact CA-O 3.35Å; G318-F339 VanDerWaalsContact CA-CE1 3.5Å; G318-F339 PolarHBondContact N-O 2.85Å; G318-F339 PolarHBondContact O-N 3.15Å; I319-F339 VanDerWaalsContact N-CE1 3.3Å; L320-F339 HydrophobicContact CB-CD1 4.46Å; L320-F339 HydrophobicContact CD1-CD1 4.21Å; L320-F339 HydrophobicContact CD2-CD1 4.38Å; L320-F339 HydrophobicContact CD2-CE1 4.2Å; L320-F339 HydrophobicContact CG-CD1 3.62Å; L320-F339 HydrophobicContact CG-CE1 3.91Å; L320-F339 HydrophobicContact CG-CG 4.45Å; F339-L342 HydrophobicContact CD1-CD2 4.19Å; F339-L342 HydrophobicContact CD2-CD2 3.65Å; F339-L342 HydrophobicContact CD2-CG 4.02Å; F339-L342 HydrophobicContact CE1-CD2 4.2Å; F339-L342 HydrophobicContact CE2-CD1 4.33Å; F339-L342 HydrophobicContact CE2-CD2 3.72Å; F339-L342 HydrophobicContact CE2-CG 3.77Å; F339-L342 HydrophobicContact CG-CD2 3.89Å; F339-L342 HydrophobicContact CZ-CD1 4.42Å; F339-L342 HydrophobicContact CZ-CD2 3.98Å; F339-L342 HydrophobicContact CZ-CG 4.25Å; F339-P406 HydrophobicContact CE2-CG 4.27Å; F339-L409 HydrophobicContact CE2-CD1 4.34Å
340	L	96.6	Very high	93.9	Very high	44 Å²	44	51.3 Å²	51.3	23%	0.23	28%	0.276	C	S	.	.	S	Bend	trans	-110	-19.2	168.9	-60.9	179.8	0	0	0	112.2	L270 V312 T313 F316	L270-L340 HydrophobicContact CB-CD1 4.23Å; V312-L340 HydrophobicContact CG1-CD1 4.04Å; V312-L340 HydrophobicContact CG1-CD2 4.17Å; T313-L340 HydrophobicContact CG2-CD2 4.28Å; F316-L340 HydrophobicContact CB-CB 4.44Å; F316-L340 HydrophobicContact CB-CD2 4.14Å; F316-L340 WeakPolarHBondContact O-CA 2.96Å
341	D	97.9	Very high	93.2	Very high	13 Å²	13	52.2 Å²	52.2	7%	0.07	26%	0.261	C	S	.	.			trans	-148.1	154.3	178.4	73.6	-86.5	0	0	0	110.2	H263 M266 R267 S343 C410	H263-D341 IonicContact CD2-OD2 3.51Å; H263-D341 IonicContact CE1-OD2 2.77Å; H263-D341 PolarHBondContact CE1-OD2 2.93Å; H263-D341 VanDerWaalsContact NE2-CG 3.34Å; H263-D341 IonicContact NE2-OD1 3.78Å; H263-D341 IonicContact NE2-OD2 3.75Å; H263-D341 PolarHBondContact NE2-OD2 3.29Å; M266-D341 HydrophobicContact CE-CB 4.32Å; R267-D341 IonicContact CZ-OD1 2.69Å; R267-D341 IonicContact NE-OD1 2.86Å; R267-D341 IonicContact NH1-OD1 3.63Å; R267-D341 PolarHBondContact NH1-OD1 3.46Å; R267-D341 IonicContact NH1-OD2 3.95Å; D341-S343 PolarHBondContact OD2-OG 3.02Å; D341-S343 VanDerWaalsContact OD2-OG 3.11Å; D341-C410 CarbonylContact C-O 3.46Å; D341-C410 VanDerWaalsContact CA-O 3.31Å; D341-C410 WeakPolarHBondContact CA-O 3.15Å; D341-C410 HydrophobicContact CB-CB 4Å
342	L	97.8	Very high	91.9	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.016	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.6	168.4	-58.9	178.9	0	0	0	109.1	L320 F339 L344 F373 I402 L409 C410 L411 H412	L320-L342 HydrophobicContact CD1-CD2 3.92Å; L320-L342 HydrophobicContact CD2-CD2 4.04Å; L320-L342 HydrophobicContact CG-CD2 4.23Å; F339-L342 HydrophobicContact CD1-CD2 4.19Å; F339-L342 HydrophobicContact CD2-CD2 3.65Å; F339-L342 HydrophobicContact CD2-CG 4.02Å; F339-L342 HydrophobicContact CE1-CD2 4.2Å; F339-L342 HydrophobicContact CE2-CD1 4.33Å; F339-L342 HydrophobicContact CE2-CD2 3.72Å; F339-L342 HydrophobicContact CE2-CG 3.77Å; F339-L342 HydrophobicContact CG-CD2 3.89Å; F339-L342 HydrophobicContact CZ-CD1 4.42Å; F339-L342 HydrophobicContact CZ-CD2 3.98Å; F339-L342 HydrophobicContact CZ-CG 4.25Å; L342-L344 HydrophobicContact CB-CD2 4.12Å; L342-F373 HydrophobicContact CD2-CE1 4.24Å; L342-F373 HydrophobicContact CD2-CZ 4.09Å; L342-I402 HydrophobicContact CD1-CD1 4.04Å; L342-L409 HydrophobicContact CD1-CD1 4.12Å; L342-C410 PolarHBondContact N-O 2.97Å; L342-L411 HydrophobicContact CB-CD2 3.87Å; L342-L411 HydrophobicContact CD1-CD2 4.07Å; L342-L411 HydrophobicContact CG-CD2 4.35Å; L342-H412 PolarHBondContact O-N 2.83Å
343	S	97.6	Very high	90.2	Very high	26 Å²	26	65.4 Å²	65.4	18%	0.182	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	104.7	176.2	-69.7	0	0	0	0	109.9	H263 D341 H412 K414	H263-S343 PolarHBondContact CE1-OG 3.5Å; D341-S343 PolarHBondContact OD2-OG 3.02Å; D341-S343 VanDerWaalsContact OD2-OG 3.11Å; S343-H412 CarbonylContact C-O 3.55Å; S343-H412 WeakPolarHBondContact CA-O 3.25Å; S343-H412 PolarHBondContact OG-ND1 3.46Å; S343-K414 WeakPolarHBondContact O-CE 3.48Å
344	L	97.2	Very high	88.6	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	133	-172.5	-50.6	178	0	0	0	111.4	L342 L366 C369 L370 F373 L411 H412 L413 K414	L342-L344 HydrophobicContact CB-CD2 4.12Å; L344-L366 HydrophobicContact CD1-CD1 3.99Å; L344-C369 HydrophobicContact CB-CB 4.12Å; L344-C369 HydrophobicContact CD1-CB 4.08Å; L344-L370 HydrophobicContact CD1-CD2 3.79Å; L344-L370 HydrophobicContact CD1-CG 3.99Å; L344-L370 HydrophobicContact CD2-CD2 3.96Å; L344-F373 HydrophobicContact CD2-CB 3.79Å; L344-F373 HydrophobicContact CD2-CD1 4.37Å; L344-F373 HydrophobicContact CD2-CD2 3.94Å; L344-F373 HydrophobicContact CD2-CG 3.77Å; L344-L411 HydrophobicContact CD1-CB 4.37Å; L344-L411 HydrophobicContact CD1-CD1 4.49Å; L344-L411 HydrophobicContact CD1-CD2 4.28Å; L344-H412 PolarHBondContact N-O 3.1Å; L344-L413 HydrophobicContact CB-CD2 4.23Å; L344-L413 HydrophobicContact CD1-CD2 4.44Å; L344-K414 WeakPolarHBondContact O-CB 3.37Å; L344-K414 PolarHBondContact O-N 3.27Å
345	D	94.6	Very high	86.9	Confident	60 Å²	60	66.2 Å²	66.2	32%	0.321	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	135.9	170	-74	-68.2	0	0	0	110.3	P347 K414 H417	D345-P347 WeakPolarHBondContact O-CD 3.13Å; D345-K414 WeakPolarHBondContact OD1-CD 3.42Å; D345-K414 IonicContact OD1-NZ 2.9Å; D345-K414 IonicContact OD2-NZ 3.65Å; D345-K414 PolarHBondContact OD2-NZ 3.34Å; D345-H417 IonicContact OD1-NE2 3.64Å
346	I	93.9	Very high	85.2	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-77.3	118.2	169.5	-60.9	173	0	0	0	106.5	R351 R415 V426 T428 V430	I346-R351 HydrophobicContact CG2-CG 4.47Å; I346-R351 PolarHBondContact O-NE 2.74Å; I346-R351 PolarHBondContact O-NH2 2.99Å; I346-R415 HydrophobicContact CD1-CG 4.05Å; I346-V426 HydrophobicContact CB-CG1 4.37Å; I346-V426 HydrophobicContact CD1-CB 4.39Å; I346-V426 HydrophobicContact CD1-CG1 3.8Å; I346-V426 HydrophobicContact CG2-CG1 4.35Å; I346-T428 HydrophobicContact CG2-CG2 4.23Å; I346-V430 HydrophobicContact CD1-CG2 3.98Å; I346-V430 HydrophobicContact CG1-CG2 4.07Å; I346-V430 HydrophobicContact CG2-CG2 4.38Å
347	P	92.1	Very high	83.9	Confident	7 Å²	7	73.4 Å²	73.4	5%	0.045	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-60.1	141.6	-172.2	-23.7	33.1	0	0	0	112.8	D345 Q349 F350	D345-P347 WeakPolarHBondContact O-CD 3.13Å; P347-Q349 HydrophobicContact CB-CG 4.46Å; P347-Q349 PolarHBondContact O-N 3.18Å; P347-F350 HydrophobicContact CB-CD2 3.79Å; P347-F350 HydrophobicContact CB-CE2 4.06Å; P347-F350 HydrophobicContact CG-CD2 4.06Å; P347-F350 HydrophobicContact CG-CE2 4.14Å; P347-F350 PolarHBondContact O-N 3.31Å
348	S	87.6	Confident	82.5	Confident	84 Å²	84	78.1 Å²	78.1	59%	0.587	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-62.3	-29.2	-169.6	62.2	0	0	0	0	113.2	F350 R351	S348-F350 PolarHBondContact O-N 3.18Å; S348-F350 VanDerWaalsContact O-N 3.16Å; S348-R351 WeakPolarHBondContact O-CB 3.17Å; S348-R351 PolarHBondContact O-N 3Å
349	Q	86.8	Confident	81.2	Confident	123 Å²	123	81.8 Å²	81.8	58%	0.575	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-59.4	-24.5	174.9	66.6	-89	29.4	0	0	113.2	P347	P347-Q349 HydrophobicContact CB-CG 4.46Å; P347-Q349 PolarHBondContact O-N 3.18Å
350	F	86.5	Confident	79.7	Confident	36 Å²	36	85.6 Å²	85.6	16%	0.158	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-97	-3.4	177.9	-55.4	-72.3	0	0	0	113.7	P347 S348 P362 C364 D368 T428	P347-F350 HydrophobicContact CB-CD2 3.79Å; P347-F350 HydrophobicContact CB-CE2 4.06Å; P347-F350 HydrophobicContact CG-CD2 4.06Å; P347-F350 HydrophobicContact CG-CE2 4.14Å; P347-F350 PolarHBondContact O-N 3.31Å; S348-F350 PolarHBondContact O-N 3.18Å; S348-F350 VanDerWaalsContact O-N 3.16Å; F350-P362 HydrophobicContact CE1-CB 4.27Å; F350-P362 HydrophobicContact CE1-CG 4.09Å; F350-C364 HydrophobicContact CB-CB 3.71Å; F350-C364 HydrophobicContact CD1-CB 3.8Å; F350-C364 HydrophobicContact CD2-CB 3.86Å; F350-C364 VanDerWaalsContact CD2-SG 3.58Å; F350-C364 HydrophobicContact CE1-CB 4.35Å; F350-C364 HydrophobicContact CE2-CB 4.43Å; F350-C364 HydrophobicContact CG-CB 3.53Å; F350-D368 HydrophobicContact CE2-CB 4.09Å; F350-D368 HydrophobicContact CZ-CB 4.4Å; F350-T428 HydrophobicContact CB-CG2 4.19Å; F350-T428 WeakPolarHBondContact O-CG2 3.4Å; F350-T428 PolarHBondContact O-OG1 3.48Å; F350-T428 VanDerWaalsContact O-OG1 3.07Å
351	R	79.5	Confident	78.4	Confident	79 Å²	79	85 Å²	85	30%	0.298	43%	0.426	S	S	.	.			trans	-85.1	-15.1	-177.8	-61.9	-177	-169.7	-171.5	-1.6	113.7	I346 S348 K353 H417 V426	I346-R351 HydrophobicContact CG2-CG 4.47Å; I346-R351 PolarHBondContact O-NE 2.74Å; I346-R351 PolarHBondContact O-NH2 2.99Å; S348-R351 WeakPolarHBondContact O-CB 3.17Å; S348-R351 PolarHBondContact O-N 3Å; R351-K353 PolarHBondContact O-N 3.29Å; R351-H417 VanDerWaalsContact CZ-NE2 3.31Å; R351-H417 PolarHBondContact NH1-CD2 2.97Å; R351-H417 VanDerWaalsContact NH1-CD2 3.25Å; R351-H417 PolarHBondContact NH1-CE1 3.46Å; R351-H417 PolarHBondContact NH1-NE2 3.24Å; R351-H417 PolarHBondContact NH2-CE1 3.49Å; R351-H417 PolarHBondContact NH2-NE2 2.78Å; R351-V426 HydrophobicContact CG-CG1 4.04Å
352	Q	67.6	Low	77.7	Confident	155 Å²	155	89.2 Å²	89.2	72%	0.724	46%	0.455	S	S	*	.			trans	-68.5	130.1	-169.8	-63.4	-174.5	7.9	0	0	112	R354	Q352-R354 PolarHBondContact O-N 2.75Å
353	K	59	Low	77.3	Confident	211 Å²	211	93.8 Å²	93.8	92%	0.917	48%	0.478	S	S	*	.			trans	-68.7	112	170.2	-91.6	-178.3	175.7	175.7	0	108.5	R351	R351-K353 PolarHBondContact O-N 3.29Å
354	R	60.5	Low	77.2	Confident	126 Å²	126	92.7 Å²	92.7	48%	0.475	47%	0.47	S	S	.	.			trans	-61.7	138.2	174.8	-62.4	-176.7	-174.3	169.5	0.3	110.2	Q352 G361	Q352-R354 PolarHBondContact O-N 2.75Å; R354-G361 PolarHBondContact NH2-O 3.39Å
355	S	57.9	Low	77.2	Confident	72 Å²	72	94.2 Å²	94.2	50%	0.503	48%	0.48	S	S	.	.			trans	-63	151.7	159.9	177.1	0	0	0	0	109	D357 Q358	S355-D357 PolarHBondContact O-N 3.31Å; S355-Q358 PolarHBondContact O-N 3.38Å
356	K	58.2	Low	77.3	Confident	203 Å²	203	91.4 Å²	91.4	88%	0.883	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-19.4	179.7	-95.1	-175.2	172.9	-175.3	0	113.8
357	D	66.3	Low	77.4	Confident	153 Å²	153	95.5 Å²	95.5	82%	0.818	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	16	-169.6	-52.1	-42.1	0	0	0	113.9	S355	S355-D357 PolarHBondContact O-N 3.31Å
358	Q	65.1	Low	77.6	Confident	135 Å²	135	97 Å²	97	63%	0.631	49%	0.488	S	S	*	.	S	Bend	trans	-109.5	132.8	-176	-136	166	51.3	0	0	111.8	S355	S355-Q358 PolarHBondContact O-N 3.38Å
359	E	65.8	Low	78.1	Confident	168 Å²	168	93 Å²	93	79%	0.785	46%	0.46	S	S	*	.			trans	-49.1	143.7	173.5	-75.6	-63.2	118.3	0	0	111.2	G361	E359-G361 PolarHBondContact O-N 2.9Å
360	P	64.6	Low	78.5	Confident	100 Å²	100	87.2 Å²	87.2	65%	0.649	43%	0.433	S	S	*	.			trans	-66.4	102.8	-176.6	24.1	-29.9	0	0	0	110.7
361	G	69.3	Low	79	Confident	30 Å²	30	92 Å²	92	31%	0.309	45%	0.45	S	S	.	.			trans	-58	174.7	171.5	0	0	0	0	0	113.8	R354 E359	R354-G361 PolarHBondContact NH2-O 3.39Å; E359-G361 PolarHBondContact O-N 2.9Å
362	P	83.1	Confident	79.7	Confident	103 Å²	103	90.8 Å²	90.8	67%	0.669	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-60.1	143.9	-175.1	24.8	-33.7	0	0	0	112.1	F350	F350-P362 HydrophobicContact CE1-CB 4.27Å; F350-P362 HydrophobicContact CE1-CG 4.09Å
363	I	89.8	Confident	81	Confident	99 Å²	99	85.3 Å²	85.3	51%	0.508	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-78.5	134.5	174.5	-62.6	169.8	0	0	0	107.8	T365 Y429 E431	I363-T365 PolarHBondContact O-N 3.49Å; I363-Y429 HydrophobicContact CG2-CD1 4.19Å; I363-Y429 HydrophobicContact CG2-CE1 4.34Å; I363-E431 HydrophobicContact CG2-CB 4.02Å
364	C	95.1	Very high	82.7	Confident	2 Å²	2	75.9 Å²	75.9	1%	0.014	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	124.4	174	-174.8	0	0	0	0	109.3	F350 T428 V430 E431	F350-C364 HydrophobicContact CB-CB 3.71Å; F350-C364 HydrophobicContact CD1-CB 3.8Å; F350-C364 HydrophobicContact CD2-CB 3.86Å; F350-C364 VanDerWaalsContact CD2-SG 3.58Å; F350-C364 HydrophobicContact CE1-CB 4.35Å; F350-C364 HydrophobicContact CE2-CB 4.43Å; F350-C364 HydrophobicContact CG-CB 3.53Å; C364-T428 HydrophobicContact CB-CG2 4.36Å; C364-V430 CarbonylContact O-C 3.52Å; C364-V430 VanDerWaalsContact O-CA 3.31Å; C364-V430 WeakPolarHBondContact O-CA 3.13Å; C364-E431 PolarHBondContact O-N 3.1Å
365	T	97.1	Very high	84.3	Confident	33 Å²	33	74.4 Å²	74.4	20%	0.202	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	157.7	174	72.8	0	0	0	0	111	I363 R367 D368 C369 E431	I363-T365 PolarHBondContact O-N 3.49Å; T365-R367 PolarHBondContact O-N 3.38Å; T365-R367 PolarHBondContact OG1-N 2.74Å; T365-D368 WeakPolarHBondContact CB-OD2 3.09Å; T365-D368 PolarHBondContact N-OD2 3.43Å; T365-D368 WeakPolarHBondContact O-CB 3.41Å; T365-D368 PolarHBondContact O-N 3.07Å; T365-D368 PolarHBondContact OG1-N 3.13Å; T365-D368 PolarHBondContact OG1-OD2 3.13Å; T365-C369 PolarHBondContact O-N 3.29Å; T365-E431 CarbonylContact C-O 3.39Å; T365-E431 WeakPolarHBondContact CA-O 3.4Å; T365-E431 HydrophobicContact CG2-CB 4.48Å
366	L	97.7	Very high	86	Confident	1 Å²	1	76 Å²	76	1%	0.005	39%	0.391	C	S	.	.	H	α-helix	trans	-58.4	-31.7	172.5	-178.2	63	0	0	0	111.6	L344 D368 C369 L370 L411 L413 V430 E431 F432 L437 L508 Y510	L344-L366 HydrophobicContact CD1-CD1 3.99Å; L366-D368 VanDerWaalsContact C-N 3.32Å; L366-C369 WeakPolarHBondContact O-CB 3.02Å; L366-C369 PolarHBondContact O-N 2.69Å; L366-L370 HydrophobicContact CG-CD1 4.41Å; L366-L370 WeakPolarHBondContact O-CG 3.4Å; L366-L370 PolarHBondContact O-N 2.85Å; L366-L411 HydrophobicContact CD1-CD1 4.05Å; L366-L411 HydrophobicContact CD2-CD1 3.88Å; L366-L411 HydrophobicContact CG-CD1 4.27Å; L366-L413 HydrophobicContact CD1-CD2 4.25Å; L366-V430 HydrophobicContact CB-CG1 4.38Å; L366-E431 PolarHBondContact N-O 2.85Å; L366-F432 HydrophobicContact CB-CB 4.1Å; L366-F432 HydrophobicContact CD2-CB 4Å; L366-L437 HydrophobicContact CD2-CD1 4.26Å; L366-L437 HydrophobicContact CD2-CD2 4.07Å; L366-L508 HydrophobicContact CD1-CD1 3.98Å; L366-L508 HydrophobicContact CD2-CD1 4.06Å; L366-Y510 HydrophobicContact CD2-CE2 3.65Å; L366-Y510 WeakPolarHBondContact CD2-OH 3.5Å
367	R	96.3	Very high	87.7	Confident	85 Å²	85	70.1 Å²	70.1	32%	0.321	37%	0.367	S	S	.	.	H	α-helix	trans	-66.7	-34.8	175.8	-58.9	-171.5	87.6	116.9	1.2	111.4	T365 L370 R371 D438	T365-R367 PolarHBondContact O-N 3.38Å; T365-R367 PolarHBondContact OG1-N 2.74Å; R367-L370 PolarHBondContact O-N 3.37Å; R367-R371 WeakPolarHBondContact O-CB 3.4Å; R367-R371 VanDerWaalsContact O-CG 3.29Å; R367-R371 WeakPolarHBondContact O-CG 3.36Å; R367-R371 PolarHBondContact O-N 2.73Å; R367-D438 PolarHBondContact NH2-O 3.39Å
368	D	96.1	Very high	89	Confident	39 Å²	39	69.6 Å²	69.6	21%	0.209	36%	0.36	C	S	.	.	H	α-helix	trans	-65.9	-39.6	174.8	-57.7	-47.6	0	0	0	111.5	F350 T365 L366 R371 S372	F350-D368 HydrophobicContact CE2-CB 4.09Å; F350-D368 HydrophobicContact CZ-CB 4.4Å; T365-D368 WeakPolarHBondContact CB-OD2 3.09Å; T365-D368 PolarHBondContact N-OD2 3.43Å; T365-D368 WeakPolarHBondContact O-CB 3.41Å; T365-D368 PolarHBondContact O-N 3.07Å; T365-D368 PolarHBondContact OG1-N 3.13Å; T365-D368 PolarHBondContact OG1-OD2 3.13Å; L366-D368 VanDerWaalsContact C-N 3.32Å; D368-R371 PolarHBondContact O-N 3.19Å; D368-S372 WeakPolarHBondContact O-CB 3.43Å; D368-S372 PolarHBondContact O-N 2.59Å
369	C	97.3	Very high	90.2	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-63.6	-42.2	174	-59.6	0	0	0	0	111.9	L344 T365 L366 F373 L413	L344-C369 HydrophobicContact CB-CB 4.12Å; L344-C369 HydrophobicContact CD1-CB 4.08Å; T365-C369 PolarHBondContact O-N 3.29Å; L366-C369 WeakPolarHBondContact O-CB 3.02Å; L366-C369 PolarHBondContact O-N 2.69Å; C369-F373 WeakPolarHBondContact O-CB 3.18Å; C369-F373 PolarHBondContact O-N 2.96Å; C369-F373 VanDerWaalsContact O-N 3.07Å; C369-L413 HydrophobicContact CB-CD2 4.46Å
370	L	96.8	Very high	91.4	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-67	-41.7	176.7	-74.6	167.2	0	0	0	112.2	L344 L366 R367 F373 T374 L411 L437 M439 F442	L344-L370 HydrophobicContact CD1-CD2 3.79Å; L344-L370 HydrophobicContact CD1-CG 3.99Å; L344-L370 HydrophobicContact CD2-CD2 3.96Å; L366-L370 HydrophobicContact CG-CD1 4.41Å; L366-L370 WeakPolarHBondContact O-CG 3.4Å; L366-L370 PolarHBondContact O-N 2.85Å; R367-L370 PolarHBondContact O-N 3.37Å; L370-F373 WeakPolarHBondContact O-CB 3.32Å; L370-F373 PolarHBondContact O-N 3.11Å; L370-T374 PolarHBondContact O-N 2.99Å; L370-T374 VanDerWaalsContact O-N 3.14Å; L370-T374 PolarHBondContact O-OG1 2.82Å; L370-L411 HydrophobicContact CD2-CD2 4.27Å; L370-L437 HydrophobicContact CD1-CD1 4.38Å; L370-M439 HydrophobicContact CD1-CE 4.17Å; L370-M439 HydrophobicContact CD1-SD 3.78Å; L370-M439 HydrophobicContact CD2-CE 4.05Å; L370-F442 HydrophobicContact CB-CD1 4.17Å; L370-F442 HydrophobicContact CB-CD2 4.29Å; L370-F442 HydrophobicContact CB-CE1 3.66Å; L370-F442 HydrophobicContact CB-CE2 3.81Å; L370-F442 HydrophobicContact CB-CG 4.46Å; L370-F442 HydrophobicContact CB-CZ 3.46Å; L370-F442 VanDerWaalsContact CB-CZ 3.46Å; L370-F442 HydrophobicContact CD1-CD2 4.3Å; L370-F442 HydrophobicContact CD1-CE2 3.77Å; L370-F442 HydrophobicContact CD1-CZ 4.19Å; L370-F442 HydrophobicContact CG-CE2 4.39Å; L370-F442 HydrophobicContact CG-CZ 4.46Å
371	R	95.1	Very high	92.5	Very high	137 Å²	137	63.9 Å²	63.9	52%	0.517	33%	0.328	S	S	.	.	H	α-helix	trans	-58.4	-53.3	174.1	-77.1	176.9	-177.9	168.1	-2	110.7	R367 D368 F373 T374 D375 F442	R367-R371 WeakPolarHBondContact O-CB 3.4Å; R367-R371 VanDerWaalsContact O-CG 3.29Å; R367-R371 WeakPolarHBondContact O-CG 3.36Å; R367-R371 PolarHBondContact O-N 2.73Å; D368-R371 PolarHBondContact O-N 3.19Å; R371-F373 PolarHBondContact O-N 2.88Å; R371-F373 VanDerWaalsContact O-N 3.11Å; R371-T374 CarbonylContact O-C 3.48Å; R371-T374 PolarHBondContact O-N 2.9Å; R371-T374 PolarHBondContact O-OG1 3.27Å; R371-T374 VanDerWaalsContact O-OG1 3.1Å; R371-D375 PolarHBondContact O-N 3.46Å; R371-F442 HydrophobicContact CB-CE1 4.36Å; R371-F442 HydrophobicContact CG-CE1 3.67Å; R371-F442 HydrophobicContact CG-CZ 4.23Å
372	S	95.1	Very high	93.4	Very high	53 Å²	53	68 Å²	68	37%	0.371	35%	0.347	S	S	.	.	H	α-helix	trans	-57.4	-29.5	177.6	-176.4	0	0	0	0	113	D368	D368-S372 WeakPolarHBondContact O-CB 3.43Å; D368-S372 PolarHBondContact O-N 2.59Å
373	F	95.3	Very high	93.7	Very high	40 Å²	40	68.2 Å²	68.2	18%	0.175	34%	0.34	C	S	.	.	H	α-helix	trans	-73.8	-32.6	176	176.9	-92.8	0	0	0	113	L320 L342 L344 C369 L370 R371 F400	L320-F373 HydrophobicContact CD1-CE1 4.48Å; L320-F373 HydrophobicContact CD1-CZ 4.01Å; L320-F373 HydrophobicContact CD2-CE1 3.97Å; L320-F373 HydrophobicContact CD2-CZ 4.33Å; L342-F373 HydrophobicContact CD2-CE1 4.24Å; L342-F373 HydrophobicContact CD2-CZ 4.09Å; L344-F373 HydrophobicContact CD2-CB 3.79Å; L344-F373 HydrophobicContact CD2-CD1 4.37Å; L344-F373 HydrophobicContact CD2-CD2 3.94Å; L344-F373 HydrophobicContact CD2-CG 3.77Å; C369-F373 WeakPolarHBondContact O-CB 3.18Å; C369-F373 PolarHBondContact O-N 2.96Å; C369-F373 VanDerWaalsContact O-N 3.07Å; L370-F373 WeakPolarHBondContact O-CB 3.32Å; L370-F373 PolarHBondContact O-N 3.11Å; R371-F373 PolarHBondContact O-N 2.88Å; R371-F373 VanDerWaalsContact O-N 3.11Å; F373-F400 HydrophobicContact CE1-CB 4.14Å; F373-F400 HydrophobicContact CE1-CG 4.48Å; F373-F400 HydrophobicContact CZ-CD2 4.44Å; F373-F400 HydrophobicContact CZ-CG 4.43Å
374	T	94.5	Very high	93.8	Very high	13 Å²	13	65.5 Å²	65.5	8%	0.08	33%	0.326	C	S	.	.	H	α-helix	trans	-98.5	-3.9	179.9	55.9	0	0	0	0	114.3	L370 R371 K399 F442	L370-T374 PolarHBondContact O-N 2.99Å; L370-T374 VanDerWaalsContact O-N 3.14Å; L370-T374 PolarHBondContact O-OG1 2.82Å; R371-T374 CarbonylContact O-C 3.48Å; R371-T374 PolarHBondContact O-N 2.9Å; R371-T374 PolarHBondContact O-OG1 3.27Å; R371-T374 VanDerWaalsContact O-OG1 3.1Å; T374-K399 WeakPolarHBondContact O-CE 3.35Å; T374-K399 WeakPolarHBondContact O-CG 3.43Å; T374-F442 HydrophobicContact CG2-CB 4.15Å; T374-F442 HydrophobicContact CG2-CD1 4.19Å
375	D	93.9	Very high	93.7	Very high	96 Å²	96	69.2 Å²	69.2	51%	0.513	34%	0.34	S	S	.	.	S	Bend	trans	-65.8	152.3	178.7	-78.4	-19.5	0	0	0	110.9	R371 E377	R371-D375 PolarHBondContact O-N 3.46Å; D375-E377 PolarHBondContact O-N 2.99Å
376	L	93.4	Very high	93.6	Very high	105 Å²	105	73.5 Å²	73.5	55%	0.55	35%	0.353	S	S	.	.			trans	-70.8	118.9	174	-175.6	72.1	0	0	0	108.5	T397 K399	L376-T397 HydrophobicContact CD1-CG2 4.35Å; L376-T397 HydrophobicContact CD2-CG2 4.34Å; L376-T397 HydrophobicContact CG-CG2 4.29Å; L376-K399 HydrophobicContact CB-CD 4.48Å; L376-K399 HydrophobicContact CD1-CB 3.93Å; L376-K399 HydrophobicContact CD1-CD 4.39Å
377	E	93.3	Very high	93.4	Very high	80 Å²	80	73.6 Å²	73.6	37%	0.374	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	139.9	175.2	68.2	-176.5	171.4	0	0	110.6	D375 T397 K398	D375-E377 PolarHBondContact O-N 2.99Å; E377-T397 CarbonylContact O-C 3.59Å; E377-T397 WeakPolarHBondContact O-CA 3.31Å; E377-K398 HydrophobicContact CG-CB 3.89Å; E377-K398 HydrophobicContact CG-CG 4.44Å; E377-K398 WeakPolarHBondContact CG-O 3.11Å; E377-K398 PolarHBondContact N-O 3.38Å; E377-K398 PolarHBondContact O-N 3.44Å; E377-K398 IonicContact OE1-NZ 3.87Å; E377-K398 PolarHBondContact OE1-NZ 2.78Å
378	E	93.8	Very high	93.4	Very high	142 Å²	142	73.8 Å²	73.8	66%	0.664	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	129.6	164.2	-76.2	-174.2	-167.1	0	0	108.6	D380 T397	E378-D380 PolarHBondContact O-N 2.66Å; E378-T397 HydrophobicContact CG-CG2 3.67Å
379	L	92	Very high	93.3	Very high	22 Å²	22	78.8 Å²	78.8	12%	0.115	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-69.1	131	179	-66.3	177	0	0	0	110.7	E383 S396 K398	L379-E383 HydrophobicContact CB-CB 4.34Å; L379-E383 HydrophobicContact CD2-CB 4.34Å; L379-S396 WeakPolarHBondContact CB-O 3.45Å; L379-S396 PolarHBondContact N-O 3.34Å; L379-K398 HydrophobicContact CD2-CB 4.01Å; L379-K398 HydrophobicContact CD2-CD 4.06Å; L379-K398 HydrophobicContact CG-CB 4.26Å
380	D	89.3	Confident	93.2	Very high	109 Å²	109	80.6 Å²	80.6	58%	0.583	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-61.9	163.8	175.6	-74.5	-32.1	0	0	0	112.1	E378 T382 E383 L384	E378-D380 PolarHBondContact O-N 2.66Å; D380-T382 PolarHBondContact O-N 3.21Å; D380-T382 VanDerWaalsContact O-N 3.11Å; D380-E383 CarbonylContact O-C 3.59Å; D380-E383 WeakPolarHBondContact O-CA 3.37Å; D380-E383 PolarHBondContact O-N 3.48Å; D380-L384 PolarHBondContact O-N 2.97Å
381	E	87.5	Confident	93.1	Very high	152 Å²	152	87.4 Å²	87.4	71%	0.71	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.8	-179.2	-60.9	-170.4	160.7	0	0	113.6	E383 L384	E381-E383 VanDerWaalsContact C-N 3.35Å; E381-L384 WeakPolarHBondContact O-CG 3.28Å
382	T	88.5	Confident	93.2	Very high	115 Å²	115	86.8 Å²	86.8	71%	0.706	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-22.2	174	50.6	0	0	0	0	112.8	D380	D380-T382 PolarHBondContact O-N 3.21Å; D380-T382 VanDerWaalsContact O-N 3.11Å
383	E	90.1	Very high	93.2	Very high	109 Å²	109	91.3 Å²	91.3	51%	0.509	43%	0.43	S	S	.	.	S	Bend	trans	-109.4	12.7	-170.8	-58.9	-162.9	133.2	0	0	113.3	L379 D380 E381 Y385	L379-E383 HydrophobicContact CB-CB 4.34Å; L379-E383 HydrophobicContact CD2-CB 4.34Å; D380-E383 CarbonylContact O-C 3.59Å; D380-E383 WeakPolarHBondContact O-CA 3.37Å; D380-E383 PolarHBondContact O-N 3.48Å; E381-E383 VanDerWaalsContact C-N 3.35Å; E383-Y385 PolarHBondContact O-N 3.33Å
384	L	91.9	Very high	93.2	Very high	41 Å²	41	90.3 Å²	90.3	22%	0.215	43%	0.426	C	S	.	.			trans	-47.8	128.3	-179.1	-62.2	177	0	0	0	112.4	D380 E381 R393 K395	D380-L384 PolarHBondContact O-N 2.97Å; E381-L384 WeakPolarHBondContact O-CG 3.28Å; L384-R393 HydrophobicContact CB-CB 3.85Å; L384-R393 VanDerWaalsContact O-CZ 3.31Å; L384-R393 PolarHBondContact O-NE 3.43Å; L384-R393 PolarHBondContact O-NH2 2.97Å; L384-K395 HydrophobicContact CD2-CG 3.93Å
385	Y	92.3	Very high	93.3	Very high	81 Å²	81	95.2 Å²	95.2	32%	0.318	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	138.5	-178.1	179.6	-104.8	0	0	0	111.5	V324 S333 E383 C387 R393 Q394	V324-Y385 HydrophobicContact CG1-CD1 3.72Å; V324-Y385 HydrophobicContact CG1-CD2 4.14Å; V324-Y385 HydrophobicContact CG1-CE1 4.14Å; V324-Y385 HydrophobicContact CG1-CG 3.72Å; S333-Y385 PolarHBondContact OG-OH 3.36Å; E383-Y385 PolarHBondContact O-N 3.33Å; Y385-C387 PolarHBondContact O-N 3.34Å; Y385-R393 CarbonylContact O-C 3.55Å; Y385-R393 VanDerWaalsContact O-CA 3.32Å; Y385-R393 WeakPolarHBondContact O-CA 3.44Å; Y385-Q394 PolarHBondContact N-O 3.49Å; Y385-Q394 PolarHBondContact O-N 3.47Å
386	Y	94.9	Very high	93.4	Very high	123 Å²	123	90.7 Å²	90.7	48%	0.482	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	107.6	175.3	-174.9	-89.9	0	0	0	110.6	K391 R393	Y386-K391 WeakPolarHBondContact CE2-O 3.38Å; Y386-K391 WeakPolarHBondContact OH-CA 3.3Å; Y386-K391 PolarHBondContact OH-O 3.34Å; Y386-R393 HydrophobicContact CD2-CG 4.37Å
387	C	95.3	Very high	93.5	Very high	2 Å²	2	86.3 Å²	86.3	1%	0.014	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	120.4	177.8	176.1	0	0	0	0	110.6	C326 Y385 K389 C390 K391 K392 Q394	C326-C387 HydrophobicContact CB-CB 4.36Å; Y385-C387 PolarHBondContact O-N 3.34Å; C387-K389 VanDerWaalsContact C-N 3.3Å; C387-K389 PolarHBondContact O-N 3.06Å; C387-C390 HydrophobicContact CB-CB 3.98Å; C387-C390 PolarHBondContact O-N 3.16Å; C387-C390 PolarHBondContact SG-N 3.45Å; C387-C390 VanDerWaalsContact SG-N 3.4Å; C387-C390 VanDerWaalsContact SG-SG 3.66Å; C387-K391 WeakPolarHBondContact O-CA 3.4Å; C387-K391 PolarHBondContact O-N 3.25Å; C387-K392 PolarHBondContact N-O 3.47Å; C387-Q394 HydrophobicContact CB-CB 4.35Å; C387-Q394 HydrophobicContact CB-CG 3.99Å
388	H	94.4	Very high	93.6	Very high	90 Å²	90	84.4 Å²	84.4	42%	0.417	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-22.5	-179.1	70.6	-92.2	0	0	0	114.1	T331 K391	T331-H388 WeakPolarHBondContact CG2-CE1 3.07Å; H388-K391 WeakPolarHBondContact O-CD 3.26Å; H388-K391 WeakPolarHBondContact O-CE 3.46Å; H388-K391 PolarHBondContact O-NZ 3.11Å
389	K	95.1	Very high	93.6	Very high	143 Å²	143	80 Å²	80	62%	0.622	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-44.7	172.4	-67.4	-157	-161.6	174.1	0	112.1	T331 C387 K391	T331-K389 HydrophobicContact CG2-CD 4.3Å; T331-K389 HydrophobicContact CG2-CG 4.16Å; T331-K389 WeakPolarHBondContact OG1-CD 3.43Å; T331-K389 VanDerWaalsContact OG1-CE 3.28Å; T331-K389 WeakPolarHBondContact OG1-CE 3.46Å; C387-K389 VanDerWaalsContact C-N 3.3Å; C387-K389 PolarHBondContact O-N 3.06Å; K389-K391 VanDerWaalsContact C-N 3.28Å; K389-K391 PolarHBondContact O-N 3.49Å
390	C	94.8	Very high	93.7	Very high	39 Å²	39	80.7 Å²	80.7	26%	0.264	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-15.9	177.1	-58.1	0	0	0	0	113.7	C387 K392 Q394	C387-C390 HydrophobicContact CB-CB 3.98Å; C387-C390 PolarHBondContact O-N 3.16Å; C387-C390 PolarHBondContact SG-N 3.45Å; C387-C390 VanDerWaalsContact SG-N 3.4Å; C387-C390 VanDerWaalsContact SG-SG 3.66Å; C390-K392 HydrophobicContact CB-CG 4.1Å; C390-K392 PolarHBondContact O-N 3.26Å; C390-Q394 HydrophobicContact CB-CG 3.96Å; C390-Q394 PolarHBondContact SG-NE2 3.44Å; C390-Q394 VanDerWaalsContact SG-NE2 3.41Å
391	K	95.5	Very high	93.8	Very high	144 Å²	144	78.2 Å²	78.2	63%	0.626	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	26.3	-175.2	-55.8	-64.5	-176.7	-163.8	0	114.5	Y386 C387 H388 K389	Y386-K391 WeakPolarHBondContact CE2-O 3.38Å; Y386-K391 WeakPolarHBondContact OH-CA 3.3Å; Y386-K391 PolarHBondContact OH-O 3.34Å; C387-K391 WeakPolarHBondContact O-CA 3.4Å; C387-K391 PolarHBondContact O-N 3.25Å; H388-K391 WeakPolarHBondContact O-CD 3.26Å; H388-K391 WeakPolarHBondContact O-CE 3.46Å; H388-K391 PolarHBondContact O-NZ 3.11Å; K389-K391 VanDerWaalsContact C-N 3.28Å; K389-K391 PolarHBondContact O-N 3.49Å
392	K	95.6	Very high	94.1	Very high	124 Å²	124	71 Å²	71	54%	0.539	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	166.3	177.2	60.8	172	169.2	166.8	0	112	C387 C390 Q394	C387-K392 PolarHBondContact N-O 3.47Å; C390-K392 HydrophobicContact CB-CG 4.1Å; C390-K392 PolarHBondContact O-N 3.26Å; K392-Q394 HydrophobicContact CG-CG 4.12Å
393	R	95.5	Very high	94.2	Very high	148 Å²	148	69.5 Å²	69.5	56%	0.558	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	128	172.3	-60.4	-173.3	79.6	178.4	-0.6	109.5	L384 Y385 Y386	L384-R393 HydrophobicContact CB-CB 3.85Å; L384-R393 VanDerWaalsContact O-CZ 3.31Å; L384-R393 PolarHBondContact O-NE 3.43Å; L384-R393 PolarHBondContact O-NH2 2.97Å; Y385-R393 CarbonylContact O-C 3.55Å; Y385-R393 VanDerWaalsContact O-CA 3.32Å; Y385-R393 WeakPolarHBondContact O-CA 3.44Å; Y386-R393 HydrophobicContact CD2-CG 4.37Å
394	Q	96	Very high	94.3	Very high	19 Å²	19	69.3 Å²	69.3	9%	0.089	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	152.4	-172	-66.1	-75.2	41.1	0	0	111	I328 Y385 C387 C390 K392 S396	I328-Q394 HydrophobicContact CG1-CB 4.28Å; I328-Q394 HydrophobicContact CG1-CG 4.34Å; Y385-Q394 PolarHBondContact N-O 3.49Å; Y385-Q394 PolarHBondContact O-N 3.47Å; C387-Q394 HydrophobicContact CB-CB 4.35Å; C387-Q394 HydrophobicContact CB-CG 3.99Å; C390-Q394 HydrophobicContact CB-CG 3.96Å; C390-Q394 PolarHBondContact SG-NE2 3.44Å; C390-Q394 VanDerWaalsContact SG-NE2 3.41Å; K392-Q394 HydrophobicContact CG-CG 4.12Å; Q394-S396 PolarHBondContact O-N 2.94Å; Q394-S396 PolarHBondContact O-OG 2.94Å; Q394-S396 VanDerWaalsContact O-OG 3.1Å
395	K	95.8	Very high	94.4	Very high	116 Å²	116	68.3 Å²	68.3	50%	0.504	30%	0.297	S	S	.	.			trans	-58.6	128.7	165.8	-65.4	-167.6	175	-165.7	0	108.7	L327 L384	L327-K395 WeakPolarHBondContact CB-O 3.36Å; L327-K395 HydrophobicContact CD1-CB 4.25Å; L327-K395 PolarHBondContact N-O 3.4Å; L384-K395 HydrophobicContact CD2-CG 3.93Å
396	S	96.4	Very high	94.5	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.007	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	150.3	-175.3	-52.3	0	0	0	0	108.7	N325 L379 Q394	N325-S396 CarbonylContact O-C 3.47Å; N325-S396 WeakPolarHBondContact O-CA 3.04Å; N325-S396 VanDerWaalsContact O-CB 3.28Å; N325-S396 WeakPolarHBondContact O-CB 3.37Å; L379-S396 WeakPolarHBondContact CB-O 3.45Å; L379-S396 PolarHBondContact N-O 3.34Å; Q394-S396 PolarHBondContact O-N 2.94Å; Q394-S396 PolarHBondContact O-OG 2.94Å; Q394-S396 VanDerWaalsContact O-OG 3.1Å
397	T	96.4	Very high	94.5	Very high	12 Å²	12	64.3 Å²	64.3	7%	0.074	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	155	166.1	51.7	0	0	0	0	109.9	V324 N325 L327 L376 E377 E378	V324-T397 CarbonylContact C-O 3.58Å; V324-T397 VanDerWaalsContact CA-O 3.26Å; V324-T397 WeakPolarHBondContact CA-O 3.49Å; N325-T397 WeakPolarHBondContact CB-OG1 3.22Å; N325-T397 PolarHBondContact N-O 3.21Å; N325-T397 PolarHBondContact O-N 3Å; L327-T397 HydrophobicContact CD1-CG2 4.32Å; L327-T397 HydrophobicContact CD2-CG2 3.88Å; L327-T397 HydrophobicContact CG-CG2 4.37Å; L376-T397 HydrophobicContact CD1-CG2 4.35Å; L376-T397 HydrophobicContact CD2-CG2 4.34Å; L376-T397 HydrophobicContact CG-CG2 4.29Å; E377-T397 CarbonylContact O-C 3.59Å; E377-T397 WeakPolarHBondContact O-CA 3.31Å; E378-T397 HydrophobicContact CG-CG2 3.67Å
398	K	94.8	Very high	94.6	Very high	40 Å²	40	64.2 Å²	64.2	17%	0.174	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	141.5	176.7	176.6	165.4	155.8	-105.1	0	109.6	N322 E323 V324 E377 L379 F400	N322-K398 WeakPolarHBondContact OD1-CG 3.37Å; E323-K398 CarbonylContact O-C 3.58Å; E323-K398 VanDerWaalsContact O-CA 3.28Å; E323-K398 WeakPolarHBondContact O-CA 3.34Å; V324-K398 HydrophobicContact CG2-CB 4.36Å; V324-K398 HydrophobicContact CG2-CD 4.36Å; V324-K398 HydrophobicContact CG2-CG 4.23Å; E377-K398 HydrophobicContact CG-CB 3.89Å; E377-K398 HydrophobicContact CG-CG 4.44Å; E377-K398 WeakPolarHBondContact CG-O 3.11Å; E377-K398 PolarHBondContact N-O 3.38Å; E377-K398 PolarHBondContact O-N 3.44Å; E377-K398 IonicContact OE1-NZ 3.87Å; E377-K398 PolarHBondContact OE1-NZ 2.78Å; L379-K398 HydrophobicContact CD2-CB 4.01Å; L379-K398 HydrophobicContact CD2-CD 4.06Å; L379-K398 HydrophobicContact CG-CB 4.26Å; K398-F400 VanDerWaalsContact NZ-CE2 3.33Å
399	K	94.5	Very high	94.7	Very high	51 Å²	51	59.9 Å²	59.9	22%	0.222	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	141.4	176.1	-165.9	173.1	-176.1	-178.5	0	110.4	E323 T374 L376 W401	E323-K399 PolarHBondContact N-O 2.88Å; E323-K399 PolarHBondContact O-N 3.31Å; T374-K399 WeakPolarHBondContact O-CE 3.35Å; T374-K399 WeakPolarHBondContact O-CG 3.43Å; L376-K399 HydrophobicContact CB-CD 4.48Å; L376-K399 HydrophobicContact CD1-CB 3.93Å; L376-K399 HydrophobicContact CD1-CD 4.39Å; K399-W401 HydrophobicContact CD-CZ2 3.77Å; K399-W401 VanDerWaalsContact CE-CZ2 3.45Å
400	F	93.5	Very high	94.9	Very high	36 Å²	36	53.1 Å²	53.1	16%	0.158	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	139.6	170.5	-66.7	-72.9	0	0	0	111.1	N322 F373 K398	N322-F400 HydrophobicContact CB-CD1 3.99Å; N322-F400 HydrophobicContact CB-CE1 3.85Å; F373-F400 HydrophobicContact CE1-CB 4.14Å; F373-F400 HydrophobicContact CE1-CG 4.48Å; F373-F400 HydrophobicContact CZ-CD2 4.44Å; F373-F400 HydrophobicContact CZ-CG 4.43Å; K398-F400 VanDerWaalsContact NZ-CE2 3.33Å
401	W	92	Very high	95.1	Very high	56 Å²	56	51.3 Å²	51.3	21%	0.212	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	146.5	167.6	-60.1	98.5	0	0	0	110	L320 Q321 E323 K399 L444	L320-W401 CarbonylContact C-O 3.52Å; L320-W401 WeakPolarHBondContact CA-O 3.34Å; Q321-W401 HydrophobicContact CB-CB 4.35Å; Q321-W401 PolarHBondContact N-O 2.94Å; Q321-W401 PolarHBondContact O-N 2.85Å; E323-W401 PolarHBondContact OE2-NE1 3.35Å; K399-W401 HydrophobicContact CD-CZ2 3.77Å; K399-W401 VanDerWaalsContact CE-CZ2 3.45Å; W401-L444 HydrophobicContact CB-CB 3.95Å; W401-L444 HydrophobicContact CB-CD1 4.2Å; W401-L444 HydrophobicContact CD2-CB 4.49Å; W401-L444 HydrophobicContact CD2-CD1 3.71Å; W401-L444 HydrophobicContact CE3-CD1 4.23Å; W401-L444 HydrophobicContact CG-CB 4.31Å; W401-L444 HydrophobicContact CG-CD1 3.7Å; W401-L444 HydrophobicContact CZ2-CD1 4.45Å
402	I	92.9	Very high	95.2	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	113.6	169.3	-57.4	174.2	0	0	0	107.6	L320 L342 L405 M439 F442 L443 L444	L320-I402 HydrophobicContact CD2-CG1 3.96Å; L342-I402 HydrophobicContact CD1-CD1 4.04Å; I402-L405 HydrophobicContact CD1-CD2 4.42Å; I402-L405 HydrophobicContact CG2-CD2 3.79Å; I402-L405 HydrophobicContact CG2-CG 3.96Å; I402-M439 HydrophobicContact CD1-CE 3.61Å; I402-F442 HydrophobicContact CD1-CB 3.99Å; I402-F442 PolarHBondContact N-O 3.26Å; I402-F442 VanDerWaalsContact N-O 3.15Å; I402-L443 HydrophobicContact CB-CD2 4Å; I402-L443 HydrophobicContact CG2-CD2 3.83Å; I402-L443 WeakPolarHBondContact O-CA 3.37Å; I402-L443 VanDerWaalsContact O-CD2 3.31Å; I402-L443 WeakPolarHBondContact O-CD2 3.4Å; I402-L444 PolarHBondContact O-N 3.12Å; I402-L444 VanDerWaalsContact O-N 3.15Å
403	Q	91	Very high	95.3	Very high	83 Å²	83	39.2 Å²	39.2	39%	0.388	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-40	178.3	-171.3	-172.6	19.5	0	0	111.6	I319 Q321 F336	I319-Q403 HydrophobicContact CB-CB 4.47Å; I319-Q403 HydrophobicContact CG2-CB 4.34Å; I319-Q403 PolarHBondContact O-N 3.06Å; Q321-Q403 HydrophobicContact CB-CB 4.5Å; F336-Q403 VanDerWaalsContact CE1-CD 3.5Å
404	K	91.4	Very high	95.3	Very high	105 Å²	105	35.6 Å²	35.6	46%	0.457	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	123.4	177.3	-177.7	-173.9	173.4	-170.5	0	109.8	G318 I319	G318-K404 CarbonylContact C-O 3.53Å; G318-K404 WeakPolarHBondContact CA-O 3.04Å; I319-K404 HydrophobicContact CB-CB 3.91Å; I319-K404 HydrophobicContact CD1-CB 4.22Å; I319-K404 HydrophobicContact CD1-CD 4.14Å; I319-K404 HydrophobicContact CG1-CB 4.04Å; I319-K404 HydrophobicContact CG1-CD 4.32Å; I319-K404 PolarHBondContact N-O 3.29Å; I319-K404 PolarHBondContact O-N 3.49Å; I319-K404 VanDerWaalsContact O-N 3.11Å
405	L	93.8	Very high	95.1	Very high	20 Å²	20	34.8 Å²	34.8	11%	0.105	15%	0.154	C	C	.	.			trans	-82	145.1	173.1	-77.4	165.4	0	0	0	111.9	I402 M439 L443 Y456	I402-L405 HydrophobicContact CD1-CD2 4.42Å; I402-L405 HydrophobicContact CG2-CD2 3.79Å; I402-L405 HydrophobicContact CG2-CG 3.96Å; L405-M439 HydrophobicContact CD1-CB 3.9Å; L405-M439 HydrophobicContact CD2-CB 4.02Å; L405-M439 HydrophobicContact CD2-CE 4.27Å; L405-M439 HydrophobicContact CD2-CG 4.23Å; L405-L443 HydrophobicContact CD1-CD1 4.13Å; L405-L443 HydrophobicContact CD1-CD2 3.71Å; L405-L443 HydrophobicContact CD1-CG 4.25Å; L405-L443 HydrophobicContact CG-CD2 3.76Å; L405-Y456 WeakPolarHBondContact CB-OH 3.46Å; L405-Y456 HydrophobicContact CD1-CE2 4.26Å; L405-Y456 HydrophobicContact CD2-CE2 4.49Å
406	P	95.2	Very high	94.7	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.019	13%	0.134	C	C	.	.			trans	-82.4	159.7	172.1	34.9	-36.1	0	0	0	111.9	F316 F339 V408 L409 Y456	F316-P406 VanDerWaalsContact C-CB 3.42Å; F316-P406 VanDerWaalsContact O-CB 3.29Å; F316-P406 WeakPolarHBondContact O-CB 3.31Å; F339-P406 HydrophobicContact CE2-CG 4.27Å; P406-V408 WeakPolarHBondContact CG-O 3.49Å; P406-V408 PolarHBondContact O-N 2.91Å; P406-L409 HydrophobicContact CG-CB 4.12Å; P406-L409 HydrophobicContact CG-CD1 3.95Å; P406-Y456 WeakPolarHBondContact O-CE1 3.32Å; P406-Y456 PolarHBondContact O-OH 3.19Å
407	K	94.7	Very high	93.7	Very high	117 Å²	117	32.4 Å²	32.4	51%	0.509	14%	0.144	S	C	.	.	S	Bend	trans	-64.4	-32	171.4	-67.2	-174.4	174.6	-172.4	0	112	V315 E512	V315-K407 PolarHBondContact O-N 3.49Å; V315-K407 VanDerWaalsContact O-N 3.07Å; K407-E512 WeakPolarHBondContact O-CB 3.16Å; K407-E512 PolarHBondContact O-N 3.28Å
408	V	97.2	Very high	92.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	108.9	173.9	-175.8	0	0	0	0	108.5	I181 Q183 V315 F316 P406 Y510 V511	I181-V408 HydrophobicContact CD1-CG1 4.2Å; I181-V408 HydrophobicContact CG2-CB 4.49Å; I181-V408 HydrophobicContact CG2-CG1 4.1Å; I181-V408 HydrophobicContact CG2-CG2 3.73Å; Q183-V408 HydrophobicContact CB-CG2 4.38Å; V315-V408 HydrophobicContact CG1-CB 3.83Å; V315-V408 HydrophobicContact CG1-CG2 3.43Å; V315-V408 VanDerWaalsContact CG1-CG2 3.43Å; V315-V408 PolarHBondContact O-N 3.43Å; F316-V408 HydrophobicContact CD1-CB 3.87Å; F316-V408 HydrophobicContact CD1-CG1 3.89Å; F316-V408 HydrophobicContact CE1-CB 3.8Å; F316-V408 HydrophobicContact CE1-CG1 3.45Å; F316-V408 VanDerWaalsContact CE1-CG1 3.45Å; F316-V408 HydrophobicContact CZ-CG1 4.33Å; P406-V408 WeakPolarHBondContact CG-O 3.49Å; P406-V408 PolarHBondContact O-N 2.91Å; V408-Y510 CarbonylContact C-O 3.58Å; V408-Y510 VanDerWaalsContact CA-O 3.23Å; V408-Y510 WeakPolarHBondContact CA-O 3.39Å; V408-V511 HydrophobicContact CG1-CG2 4.42Å; V408-V511 HydrophobicContact CG2-CG2 4.15Å
409	L	97.8	Very high	91.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	112.4	177.8	-178.7	65.7	0	0	0	109.8	F339 L342 P406 L411 L437 M439 Y456 Y510	F339-L409 HydrophobicContact CE2-CD1 4.34Å; L342-L409 HydrophobicContact CD1-CD1 4.12Å; P406-L409 HydrophobicContact CG-CB 4.12Å; P406-L409 HydrophobicContact CG-CD1 3.95Å; L409-L411 HydrophobicContact CD1-CD2 3.93Å; L409-L411 HydrophobicContact CD2-CD1 4.19Å; L409-L411 HydrophobicContact CD2-CD2 3.97Å; L409-L411 HydrophobicContact CD2-CG 4.19Å; L409-L411 HydrophobicContact CG-CD1 4.5Å; L409-L411 HydrophobicContact CG-CD2 3.74Å; L409-L411 HydrophobicContact CG-CG 3.98Å; L409-L437 HydrophobicContact CD2-CD2 4.47Å; L409-M439 HydrophobicContact CD2-CE 3.69Å; L409-M439 HydrophobicContact CD2-CG 3.96Å; L409-M439 HydrophobicContact CD2-SD 3.66Å; L409-Y456 HydrophobicContact CB-CD1 3.98Å; L409-Y456 HydrophobicContact CB-CE1 3.82Å; L409-Y510 PolarHBondContact N-O 2.86Å; L409-Y510 PolarHBondContact O-N 3.27Å
410	C	98.4	Very high	90.4	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.007	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	117.6	173.6	179.5	0	0	0	0	110.1	M266 F316 D341 L342 F509	M266-C410 VanDerWaalsContact CE-SG 3.52Å; F316-C410 HydrophobicContact CD1-CB 4.49Å; D341-C410 CarbonylContact C-O 3.46Å; D341-C410 VanDerWaalsContact CA-O 3.31Å; D341-C410 WeakPolarHBondContact CA-O 3.15Å; D341-C410 HydrophobicContact CB-CB 4Å; L342-C410 PolarHBondContact N-O 2.97Å; C410-F509 HydrophobicContact CB-CD1 4.19Å; C410-F509 HydrophobicContact CB-CE1 4.21Å
411	L	98.6	Very high	89.1	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	121.5	178.3	-56	177.8	0	0	0	109.8	L342 L344 L366 L370 L409 L437 I507 L508 Y510	L342-L411 HydrophobicContact CB-CD2 3.87Å; L342-L411 HydrophobicContact CD1-CD2 4.07Å; L342-L411 HydrophobicContact CG-CD2 4.35Å; L344-L411 HydrophobicContact CD1-CB 4.37Å; L344-L411 HydrophobicContact CD1-CD1 4.49Å; L344-L411 HydrophobicContact CD1-CD2 4.28Å; L366-L411 HydrophobicContact CD1-CD1 4.05Å; L366-L411 HydrophobicContact CD2-CD1 3.88Å; L366-L411 HydrophobicContact CG-CD1 4.27Å; L370-L411 HydrophobicContact CD2-CD2 4.27Å; L409-L411 HydrophobicContact CD1-CD2 3.93Å; L409-L411 HydrophobicContact CD2-CD1 4.19Å; L409-L411 HydrophobicContact CD2-CD2 3.97Å; L409-L411 HydrophobicContact CD2-CG 4.19Å; L409-L411 HydrophobicContact CG-CD1 4.5Å; L409-L411 HydrophobicContact CG-CD2 3.74Å; L409-L411 HydrophobicContact CG-CG 3.98Å; L411-L437 HydrophobicContact CD1-CD2 4.18Å; L411-I507 CarbonylContact O-C 3.57Å; L411-I507 WeakPolarHBondContact O-CA 3.47Å; L411-L508 HydrophobicContact CB-CB 4.33Å; L411-L508 PolarHBondContact N-O 3.14Å; L411-L508 PolarHBondContact O-N 3.38Å; L411-Y510 HydrophobicContact CD1-CD2 3.99Å; L411-Y510 HydrophobicContact CD1-CE2 4.09Å
412	H	98.4	Very high	88.1	Confident	14 Å²	14	54.2 Å²	54.2	7%	0.065	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.1	175.3	162.2	-129.1	0	0	0	109.4	H263 L342 S343 L344 Y506	H263-H412 VanDerWaalsContact CD2-CB 3.44Å; H263-H412 WeakPolarHBondContact CD2-CB 3.17Å; H263-H412 AromaticContact CD2-CG 3.44Å; H263-H412 VanDerWaalsContact CD2-CG 3.44Å; H263-H412 AromaticContact CD2-ND1 3.68Å; H263-H412 AromaticContact CE1-CE1 3.98Å; H263-H412 AromaticContact CE1-CG 3.95Å; H263-H412 AromaticContact CE1-ND1 3.38Å; H263-H412 PolarHBondContact CE1-ND1 3.36Å; H263-H412 AromaticContact CG-CD2 3.95Å; H263-H412 AromaticContact CG-CE1 3.89Å; H263-H412 AromaticContact CG-CG 3.66Å; H263-H412 AromaticContact CG-ND1 3.64Å; H263-H412 AromaticContact ND1-CE1 3.69Å; H263-H412 AromaticContact ND1-ND1 3.5Å; H263-H412 AromaticContact NE2-CG 3.63Å; H263-H412 AromaticContact NE2-ND1 3.5Å; L342-H412 PolarHBondContact O-N 2.83Å; S343-H412 CarbonylContact C-O 3.55Å; S343-H412 WeakPolarHBondContact CA-O 3.25Å; S343-H412 PolarHBondContact OG-ND1 3.46Å; L344-H412 PolarHBondContact N-O 3.1Å; H412-Y506 AromaticContact CD2-CE2 3.73Å; H412-Y506 AromaticContact CD2-CZ 3.84Å; H412-Y506 AromaticContact NE2-CE2 3.4Å; H412-Y506 WeakPolarHBondContact NE2-CE2 3.32Å; H412-Y506 AromaticContact NE2-CZ 3.5Å; H412-Y506 PolarHBondContact NE2-OH 3.4Å
413	L	97.6	Very high	87.3	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	113.9	173.7	-66.4	176.5	0	0	0	109.1	L344 L366 C369 R415 V430 A505 Y506 L508	L344-L413 HydrophobicContact CB-CD2 4.23Å; L344-L413 HydrophobicContact CD1-CD2 4.44Å; L366-L413 HydrophobicContact CD1-CD2 4.25Å; C369-L413 HydrophobicContact CB-CD2 4.46Å; L413-R415 VanDerWaalsContact C-N 3.29Å; L413-R415 HydrophobicContact CB-CG 4.42Å; L413-R415 WeakPolarHBondContact O-CG 3.42Å; L413-R415 PolarHBondContact O-N 3.01Å; L413-V430 HydrophobicContact CD1-CB 3.96Å; L413-V430 HydrophobicContact CD1-CG1 4.17Å; L413-V430 HydrophobicContact CD1-CG2 4.07Å; L413-A505 HydrophobicContact CD1-CB 4.4Å; L413-A505 WeakPolarHBondContact CD1-O 3.46Å; L413-Y506 PolarHBondContact N-O 3.32Å; L413-L508 HydrophobicContact CD1-CD1 4.46Å
414	K	94.4	Very high	86.8	Confident	72 Å²	72	63.1 Å²	63.1	31%	0.313	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	85.7	178.9	-69.1	173.6	179.3	173.7	0	110.5	S343 L344 D345 H417	S343-K414 WeakPolarHBondContact O-CE 3.48Å; L344-K414 WeakPolarHBondContact O-CB 3.37Å; L344-K414 PolarHBondContact O-N 3.27Å; D345-K414 WeakPolarHBondContact OD1-CD 3.42Å; D345-K414 IonicContact OD1-NZ 2.9Å; D345-K414 IonicContact OD2-NZ 3.65Å; D345-K414 PolarHBondContact OD2-NZ 3.34Å; K414-H417 PolarHBondContact O-CE1 2.99Å
415	R	91.7	Very high	86.7	Confident	3 Å²	3	59.7 Å²	59.7	1%	0.011	29%	0.286	C	S	.	.			trans	-86.5	-18.8	-179	-70.6	-175.6	-179.4	-74.5	-3.7	113	I346 L413 K425 V426 T428 A505 Y506	I346-R415 HydrophobicContact CD1-CG 4.05Å; L413-R415 VanDerWaalsContact C-N 3.29Å; L413-R415 HydrophobicContact CB-CG 4.42Å; L413-R415 WeakPolarHBondContact O-CG 3.42Å; L413-R415 PolarHBondContact O-N 3.01Å; R415-K425 CarbonylContact O-C 3.49Å; R415-K425 WeakPolarHBondContact O-CA 3.35Å; R415-V426 PolarHBondContact NH1-O 3.13Å; R415-V426 VanDerWaalsContact NH1-O 3.12Å; R415-V426 PolarHBondContact O-N 3.41Å; R415-T428 PolarHBondContact NH1-O 3.32Å; R415-A505 PolarHBondContact NE-O 3.49Å; R415-A505 PolarHBondContact NH2-O 2.93Å; R415-Y506 HydrophobicContact CB-CD2 4.37Å; R415-Y506 HydrophobicContact CB-CE2 4.46Å; R415-Y506 HydrophobicContact CG-CD2 4.35Å
416	F	87.1	Confident	86.4	Confident	18 Å²	18	59.5 Å²	59.5	8%	0.079	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	122.8	-179.1	-56.8	-72.5	0	0	0	110.1	W418 K425 H464 V469 Y506	F416-W418 HydrophobicContact CB-CH2 4.18Å; F416-W418 HydrophobicContact CB-CZ2 4.18Å; F416-K425 HydrophobicContact CD1-CB 4.14Å; F416-K425 HydrophobicContact CD1-CG 4.22Å; F416-K425 HydrophobicContact CE1-CB 4.11Å; F416-K425 HydrophobicContact CE1-CD 4.03Å; F416-K425 HydrophobicContact CE1-CG 3.92Å; F416-H464 AromaticContact CE1-CE1 3.98Å; F416-H464 AromaticContact CE1-ND1 4Å; F416-H464 AromaticContact CZ-CE1 3.55Å; F416-H464 AromaticContact CZ-ND1 3.37Å; F416-H464 WeakPolarHBondContact CZ-ND1 3.29Å; F416-V469 HydrophobicContact CB-CG1 4.19Å; F416-V469 HydrophobicContact CD1-CB 4.19Å; F416-V469 HydrophobicContact CD1-CG1 3.65Å; F416-V469 HydrophobicContact CD1-CG2 4.11Å; F416-V469 HydrophobicContact CE1-CG1 4.25Å; F416-V469 HydrophobicContact CG-CG1 4.11Å; F416-Y506 HydrophobicContact CD2-CE2 4.1Å; F416-Y506 AromaticContact CE2-CE2 3.84Å; F416-Y506 HydrophobicContact CE2-CE2 3.84Å; F416-Y506 AromaticContact CE2-CZ 3.97Å
417	H	76.5	Confident	86	Confident	49 Å²	49	63.3 Å²	63.3	23%	0.227	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.4	176.5	-74.2	74.4	0	0	0	109.6	D345 R351 K414 N424 V426	D345-H417 IonicContact OD1-NE2 3.64Å; R351-H417 VanDerWaalsContact CZ-NE2 3.31Å; R351-H417 PolarHBondContact NH1-CD2 2.97Å; R351-H417 VanDerWaalsContact NH1-CD2 3.25Å; R351-H417 PolarHBondContact NH1-CE1 3.46Å; R351-H417 PolarHBondContact NH1-NE2 3.24Å; R351-H417 PolarHBondContact NH2-CE1 3.49Å; R351-H417 PolarHBondContact NH2-NE2 2.78Å; K414-H417 PolarHBondContact O-CE1 2.99Å; H417-N424 PolarHBondContact N-O 2.82Å; H417-N424 PolarHBondContact O-N 2.73Å; H417-N424 VanDerWaalsContact O-N 3.11Å; H417-V426 WeakPolarHBondContact ND1-CG2 3.41Å
418	W	75.6	Confident	85.9	Confident	174 Å²	174	59.1 Å²	59.1	66%	0.659	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106	122.3	175.7	-57.4	-91.3	0	0	0	108.7	F416	F416-W418 HydrophobicContact CB-CH2 4.18Å; F416-W418 HydrophobicContact CB-CZ2 4.18Å
419	T	69.9	Low	85.7	Confident	88 Å²	88	62.6 Å²	62.6	54%	0.54	30%	0.304	S	S	.	.			trans	-108.6	167.2	160.5	68.1	0	0	0	0	108.5	F421 L422	T419-F421 PolarHBondContact O-N 2.98Å; T419-L422 PolarHBondContact N-O 3.22Å; T419-L422 PolarHBondContact O-N 3.38Å; T419-L422 PolarHBondContact OG1-N 3.37Å; T419-L422 VanDerWaalsContact OG1-N 3.11Å; T419-L422 PolarHBondContact OG1-O 3.31Å
420	A	70.1	Confident	85.7	Confident	94 Å²	94	62.6 Å²	62.6	78%	0.777	30%	0.304	S	S	*	.	S	Bend	trans	-54.5	-22.1	179.7	0	0	0	0	0	113.7
421	F	67.6	Low	85.6	Confident	197 Å²	197	67 Å²	67	86%	0.864	32%	0.324	S	S	*	.	S	Bend	trans	-121.5	-21.6	-173.2	-52.9	-72.7	0	0	0	114.1	T419	T419-F421 PolarHBondContact O-N 2.98Å
422	L	71.3	Confident	85.6	Confident	99 Å²	99	67.3 Å²	67.3	52%	0.518	33%	0.325	S	S	.	.			trans	-138.2	137.2	-170.9	-76.5	148.5	0	0	0	111.5	T419	T419-L422 PolarHBondContact N-O 3.22Å; T419-L422 PolarHBondContact O-N 3.38Å; T419-L422 PolarHBondContact OG1-N 3.37Å; T419-L422 VanDerWaalsContact OG1-N 3.11Å; T419-L422 PolarHBondContact OG1-O 3.31Å
423	R	75.4	Confident	85.6	Confident	182 Å²	182	68.8 Å²	68.8	69%	0.687	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	109.8	168.7	-58.8	-171.6	179	179.8	-1.2	107.9	V469	R423-V469 HydrophobicContact CB-CB 4.15Å; R423-V469 HydrophobicContact CB-CG2 3.6Å; R423-V469 WeakPolarHBondContact O-CG2 3.36Å
424	N	80.9	Confident	85.5	Confident	89 Å²	89	69.3 Å²	69.3	48%	0.476	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	137.5	-174.9	-74.1	-22.8	0	0	0	111.2	H417	H417-N424 PolarHBondContact N-O 2.82Å; H417-N424 PolarHBondContact O-N 2.73Å; H417-N424 VanDerWaalsContact O-N 3.11Å
425	K	87.8	Confident	85.6	Confident	33 Å²	33	72.4 Å²	72.4	14%	0.143	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	126.6	167.7	-176.9	-179.5	173.2	-178.1	0	109.4	R415 F416 D427 H464 G466	R415-K425 CarbonylContact O-C 3.49Å; R415-K425 WeakPolarHBondContact O-CA 3.35Å; F416-K425 HydrophobicContact CD1-CB 4.14Å; F416-K425 HydrophobicContact CD1-CG 4.22Å; F416-K425 HydrophobicContact CE1-CB 4.11Å; F416-K425 HydrophobicContact CE1-CD 4.03Å; F416-K425 HydrophobicContact CE1-CG 3.92Å; K425-D427 PolarHBondContact O-N 2.84Å; K425-H464 WeakPolarHBondContact CE-ND1 3.5Å; K425-H464 PolarHBondContact NZ-ND1 2.67Å; K425-H464 PolarHBondContact NZ-O 3.13Å; K425-G466 WeakPolarHBondContact CD-O 3.38Å; K425-G466 PolarHBondContact NZ-O 2.79Å
426	V	87.7	Confident	85.7	Confident	16 Å²	16	73.5 Å²	73.5	10%	0.097	37%	0.365	C	S	.	.			trans	-79.6	102.7	171	-177	0	0	0	0	108.1	I346 R351 R415 H417 T428	I346-V426 HydrophobicContact CB-CG1 4.37Å; I346-V426 HydrophobicContact CD1-CB 4.39Å; I346-V426 HydrophobicContact CD1-CG1 3.8Å; I346-V426 HydrophobicContact CG2-CG1 4.35Å; R351-V426 HydrophobicContact CG-CG1 4.04Å; R415-V426 PolarHBondContact NH1-O 3.13Å; R415-V426 VanDerWaalsContact NH1-O 3.12Å; R415-V426 PolarHBondContact O-N 3.41Å; H417-V426 WeakPolarHBondContact ND1-CG2 3.41Å; V426-T428 VanDerWaalsContact C-N 3.32Å
427	D	88	Confident	86.2	Confident	84 Å²	84	72.6 Å²	72.6	45%	0.449	36%	0.361	S	S	.	.			trans	-91.5	5.7	-176.9	-161.9	41.8	0	0	0	113.1	K425 Y429 K504	K425-D427 PolarHBondContact O-N 2.84Å; D427-Y429 PolarHBondContact O-N 2.85Å; D427-K504 WeakPolarHBondContact O-CE 3.47Å; D427-K504 WeakPolarHBondContact OD1-CD 3.43Å; D427-K504 IonicContact OD1-NZ 2.77Å; D427-K504 PolarHBondContact OD1-NZ 2.9Å; D427-K504 IonicContact OD2-NZ 2.69Å; D427-K504 PolarHBondContact OD2-NZ 3.26Å
428	T	90.9	Very high	87	Confident	29 Å²	29	72.4 Å²	72.4	18%	0.178	36%	0.361	C	S	.	.			trans	-55.1	126.9	176	-60.7	0	0	0	0	110.7	I346 F350 C364 R415 V426	I346-T428 HydrophobicContact CG2-CG2 4.23Å; F350-T428 HydrophobicContact CB-CG2 4.19Å; F350-T428 WeakPolarHBondContact O-CG2 3.4Å; F350-T428 PolarHBondContact O-OG1 3.48Å; F350-T428 VanDerWaalsContact O-OG1 3.07Å; C364-T428 HydrophobicContact CB-CG2 4.36Å; R415-T428 PolarHBondContact NH1-O 3.32Å; V426-T428 VanDerWaalsContact C-N 3.32Å
429	Y	94.5	Very high	87.9	Confident	73 Å²	73	64.1 Å²	64.1	29%	0.286	33%	0.33	S	S	.	.			trans	-68.8	134	171	175.2	-105.6	0	0	0	109.8	I363 D427 E431 K501	I363-Y429 HydrophobicContact CG2-CD1 4.19Å; I363-Y429 HydrophobicContact CG2-CE1 4.34Å; D427-Y429 PolarHBondContact O-N 2.85Å; Y429-E431 HydrophobicContact CE1-CB 3.95Å; Y429-K501 WeakPolarHBondContact CE2-O 3.31Å; Y429-K501 PolarHBondContact OH-O 2.86Å
430	V	96.9	Very high	88.9	Confident	0 Å²	0	67 Å²	67	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	117.5	175.3	178.4	0	0	0	0	106.1	I346 C364 L366 L413 F432	I346-V430 HydrophobicContact CD1-CG2 3.98Å; I346-V430 HydrophobicContact CG1-CG2 4.07Å; I346-V430 HydrophobicContact CG2-CG2 4.38Å; C364-V430 CarbonylContact O-C 3.52Å; C364-V430 VanDerWaalsContact O-CA 3.31Å; C364-V430 WeakPolarHBondContact O-CA 3.13Å; L366-V430 HydrophobicContact CB-CG1 4.38Å; L413-V430 HydrophobicContact CD1-CB 3.96Å; L413-V430 HydrophobicContact CD1-CG1 4.17Å; L413-V430 HydrophobicContact CD1-CG2 4.07Å; V430-F432 WeakPolarHBondContact O-CD1 3.45Å
431	E	97.7	Very high	89.8	Confident	93 Å²	93	65.6 Å²	65.6	44%	0.435	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	133.2	176.8	-176.5	179.7	-110.2	0	0	109.9	I363 C364 T365 L366 Y429	I363-E431 HydrophobicContact CG2-CB 4.02Å; C364-E431 PolarHBondContact O-N 3.1Å; T365-E431 CarbonylContact C-O 3.39Å; T365-E431 WeakPolarHBondContact CA-O 3.4Å; T365-E431 HydrophobicContact CG2-CB 4.48Å; L366-E431 PolarHBondContact N-O 2.85Å; Y429-E431 HydrophobicContact CE1-CB 3.95Å
432	F	98.1	Very high	91	Very high	6 Å²	6	56.6 Å²	56.6	3%	0.026	29%	0.286	C	S	.	.			trans	-136.6	141.6	179.3	57.8	-93.1	0	0	0	111.1	L366 V430 L434 L458 V461 V500 A503 A505 L508	L366-F432 HydrophobicContact CB-CB 4.1Å; L366-F432 HydrophobicContact CD2-CB 4Å; V430-F432 WeakPolarHBondContact O-CD1 3.45Å; F432-L434 HydrophobicContact CE2-CD2 4.13Å; F432-L458 HydrophobicContact CD2-CD2 3.78Å; F432-L458 HydrophobicContact CE2-CD2 3.56Å; F432-V461 HydrophobicContact CE2-CG2 4.2Å; F432-V461 HydrophobicContact CZ-CG1 4.44Å; F432-V461 HydrophobicContact CZ-CG2 4.41Å; F432-V500 VanDerWaalsContact CZ-O 3.31Å; F432-V500 WeakPolarHBondContact CZ-O 3.43Å; F432-A503 WeakPolarHBondContact CE1-O 3.33Å; F432-A505 HydrophobicContact CD1-CB 4.01Å; F432-A505 HydrophobicContact CE1-CB 3.63Å; F432-A505 HydrophobicContact CZ-CB 4.25Å; F432-L508 HydrophobicContact CB-CD1 4.36Å; F432-L508 HydrophobicContact CD1-CD2 4.18Å; F432-L508 HydrophobicContact CD2-CD2 3.78Å; F432-L508 HydrophobicContact CE1-CD2 4.38Å; F432-L508 HydrophobicContact CE2-CD2 3.99Å; F432-L508 HydrophobicContact CG-CD1 4.44Å; F432-L508 HydrophobicContact CG-CD2 3.89Å; F432-L508 HydrophobicContact CZ-CD2 4.27Å
433	P	97.3	Very high	91.8	Very high	45 Å²	45	52.4 Å²	52.4	29%	0.292	26%	0.264	S	S	.	.			trans	-77.3	138.7	179.1	31.7	-35.2	0	0	0	111.3	K435 L437 Y510	P433-K435 VanDerWaalsContact C-N 3.33Å; P433-L437 HydrophobicContact CG-CB 3.95Å; P433-L437 HydrophobicContact CG-CD1 4.01Å; P433-Y510 WeakPolarHBondContact O-CE1 3.48Å; P433-Y510 PolarHBondContact O-OH 3.42Å
434	L	96.9	Very high	92	Very high	12 Å²	12	46.2 Å²	46.2	6%	0.063	25%	0.245	C	C	.	.	S	Bend	trans	-73.7	-29.2	170.6	-61.9	-171.8	0	0	0	112.4	F432 L458 W484 E497 V500 K501	F432-L434 HydrophobicContact CE2-CD2 4.13Å; L434-L458 HydrophobicContact CD2-CD2 3.46Å; L434-L458 VanDerWaalsContact CD2-CD2 3.46Å; L434-L458 WeakPolarHBondContact O-CB 3.46Å; L434-L458 PolarHBondContact O-N 3.41Å; L434-W484 HydrophobicContact CD2-CZ2 4.3Å; L434-E497 HydrophobicContact CD1-CB 3.45Å; L434-E497 VanDerWaalsContact CD1-CB 3.45Å; L434-E497 HydrophobicContact CD1-CG 3.55Å; L434-V500 HydrophobicContact CD2-CB 4.4Å; L434-V500 HydrophobicContact CD2-CG1 3.91Å; L434-K501 HydrophobicContact CD1-CD 4.31Å; L434-K501 VanDerWaalsContact CD1-CE 3.45Å; L434-K501 HydrophobicContact CD1-CG 3.95Å; L434-K501 HydrophobicContact CD2-CG 4.09Å; L434-K501 HydrophobicContact CG-CD 4.4Å; L434-K501 HydrophobicContact CG-CG 3.79Å
435	K	95.9	Very high	91.3	Very high	136 Å²	136	50.7 Å²	50.7	59%	0.591	26%	0.263	S	S	*	.	S	Bend	trans	-137.7	147.3	-177	-69.6	-179	-178.9	171.7	0	110.7	P433 D457	P433-K435 VanDerWaalsContact C-N 3.33Å; K435-D457 WeakPolarHBondContact CA-OD1 3.45Å; K435-D457 WeakPolarHBondContact CB-OD1 3.47Å
436	G	94.5	Very high	89.7	Confident	26 Å²	26	51.6 Å²	51.6	27%	0.268	27%	0.272	S	S	.	.			trans	69.3	38.1	172.2	0	0	0	0	0	114.4	D438 Y456 D457	G436-D438 PolarHBondContact O-N 3.31Å; G436-D438 VanDerWaalsContact O-N 3.12Å; G436-Y456 PolarHBondContact N-O 3.03Å; G436-Y456 VanDerWaalsContact N-O 3.07Å; G436-D457 PolarHBondContact N-OD1 3.39Å
437	L	96.6	Very high	88	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	109.3	164.5	177.1	65.5	0	0	0	108.5	L366 L370 L409 L411 P433 M439 L455 Y456 Y510	L366-L437 HydrophobicContact CD2-CD1 4.26Å; L366-L437 HydrophobicContact CD2-CD2 4.07Å; L370-L437 HydrophobicContact CD1-CD1 4.38Å; L409-L437 HydrophobicContact CD2-CD2 4.47Å; L411-L437 HydrophobicContact CD1-CD2 4.18Å; P433-L437 HydrophobicContact CG-CB 3.95Å; P433-L437 HydrophobicContact CG-CD1 4.01Å; L437-M439 HydrophobicContact CD2-SD 4.06Å; L437-M439 HydrophobicContact CG-SD 4.1Å; L437-L455 WeakPolarHBondContact O-CA 3.32Å; L437-Y456 PolarHBondContact N-O 3.14Å; L437-Y456 PolarHBondContact O-N 2.91Å; L437-Y510 HydrophobicContact CB-CD1 3.98Å; L437-Y510 HydrophobicContact CB-CE1 3.76Å; L437-Y510 HydrophobicContact CD2-CD1 3.81Å; L437-Y510 HydrophobicContact CD2-CD2 3.78Å; L437-Y510 HydrophobicContact CD2-CE1 3.78Å; L437-Y510 HydrophobicContact CD2-CE2 3.75Å; L437-Y510 HydrophobicContact CD2-CG 3.8Å; L437-Y510 HydrophobicContact CG-CE1 4.39Å
438	D	94.4	Very high	86.2	Confident	45 Å²	45	63.8 Å²	63.8	24%	0.241	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	117.1	-179.8	178.1	15	0	0	0	111.2	R367 G436 R440 L455	R367-D438 PolarHBondContact NH2-O 3.39Å; G436-D438 PolarHBondContact O-N 3.31Å; G436-D438 VanDerWaalsContact O-N 3.12Å; D438-R440 WeakPolarHBondContact OD1-CB 3.29Å; D438-R440 PolarHBondContact OD1-N 3.47Å; D438-L455 HydrophobicContact CB-CD2 3.76Å
439	M	94.5	Very high	84.6	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.354	C	S	.	.			trans	-93.6	-4.1	-178.6	-64.9	-59.9	-63.9	0	0	114	L370 I402 L405 L409 L437 G441 F442 C454 Y456	L370-M439 HydrophobicContact CD1-CE 4.17Å; L370-M439 HydrophobicContact CD1-SD 3.78Å; L370-M439 HydrophobicContact CD2-CE 4.05Å; I402-M439 HydrophobicContact CD1-CE 3.61Å; L405-M439 HydrophobicContact CD1-CB 3.9Å; L405-M439 HydrophobicContact CD2-CB 4.02Å; L405-M439 HydrophobicContact CD2-CE 4.27Å; L405-M439 HydrophobicContact CD2-CG 4.23Å; L409-M439 HydrophobicContact CD2-CE 3.69Å; L409-M439 HydrophobicContact CD2-CG 3.96Å; L409-M439 HydrophobicContact CD2-SD 3.66Å; L437-M439 HydrophobicContact CD2-SD 4.06Å; L437-M439 HydrophobicContact CG-SD 4.1Å; M439-G441 VanDerWaalsContact C-N 3.3Å; M439-G441 PolarHBondContact O-N 3.2Å; M439-F442 HydrophobicContact CE-CD2 3.93Å; M439-F442 PolarHBondContact O-N 3.35Å; M439-F442 HydrophobicContact SD-CD2 4.08Å; M439-F442 HydrophobicContact SD-CE2 4.4Å; M439-C454 PolarHBondContact N-O 3.42Å; M439-Y456 HydrophobicContact CB-CE2 4.39Å; M439-Y456 HydrophobicContact CG-CD2 3.79Å; M439-Y456 HydrophobicContact CG-CE2 3.91Å
440	R	90.3	Very high	82.9	Confident	147 Å²	147	69.2 Å²	69.2	56%	0.555	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-55.5	-42.4	-172.7	-175.1	178.1	-64	177	0.1	113.1	D438 F442 L443 L450 C454	D438-R440 WeakPolarHBondContact OD1-CB 3.29Å; D438-R440 PolarHBondContact OD1-N 3.47Å; R440-F442 PolarHBondContact O-N 2.85Å; R440-F442 VanDerWaalsContact O-N 3.09Å; R440-L443 WeakPolarHBondContact O-CB 3.27Å; R440-L443 PolarHBondContact O-N 2.85Å; R440-L450 HydrophobicContact CG-CD2 4.43Å; R440-C454 HydrophobicContact CB-CB 4.22Å
441	G	89.5	Confident	81.4	Confident	65 Å²	65	71.7 Å²	71.7	67%	0.67	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-69	-2.9	-178.6	0	0	0	0	0	115.6	M439	M439-G441 VanDerWaalsContact C-N 3.3Å; M439-G441 PolarHBondContact O-N 3.2Å
442	F	91.1	Very high	79.8	Confident	9 Å²	9	71.2 Å²	71.2	4%	0.039	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-112	-4	178	-50.9	-65	0	0	0	112.5	L370 R371 T374 I402 M439 R440	L370-F442 HydrophobicContact CB-CD1 4.17Å; L370-F442 HydrophobicContact CB-CD2 4.29Å; L370-F442 HydrophobicContact CB-CE1 3.66Å; L370-F442 HydrophobicContact CB-CE2 3.81Å; L370-F442 HydrophobicContact CB-CG 4.46Å; L370-F442 HydrophobicContact CB-CZ 3.46Å; L370-F442 VanDerWaalsContact CB-CZ 3.46Å; L370-F442 HydrophobicContact CD1-CD2 4.3Å; L370-F442 HydrophobicContact CD1-CE2 3.77Å; L370-F442 HydrophobicContact CD1-CZ 4.19Å; L370-F442 HydrophobicContact CG-CE2 4.39Å; L370-F442 HydrophobicContact CG-CZ 4.46Å; R371-F442 HydrophobicContact CB-CE1 4.36Å; R371-F442 HydrophobicContact CG-CE1 3.67Å; R371-F442 HydrophobicContact CG-CZ 4.23Å; T374-F442 HydrophobicContact CG2-CB 4.15Å; T374-F442 HydrophobicContact CG2-CD1 4.19Å; I402-F442 HydrophobicContact CD1-CB 3.99Å; I402-F442 PolarHBondContact N-O 3.26Å; I402-F442 VanDerWaalsContact N-O 3.15Å; M439-F442 HydrophobicContact CE-CD2 3.93Å; M439-F442 PolarHBondContact O-N 3.35Å; M439-F442 HydrophobicContact SD-CD2 4.08Å; M439-F442 HydrophobicContact SD-CE2 4.4Å; R440-F442 PolarHBondContact O-N 2.85Å; R440-F442 VanDerWaalsContact O-N 3.09Å
443	L	88.8	Confident	78.9	Confident	10 Å²	10	71.5 Å²	71.5	5%	0.052	41%	0.406	C	S	.	.	B	Isolated β-bridge	trans	-76.3	147.3	175.2	-66.4	178	0	0	0	110	I402 L405 R440 E445 P451	I402-L443 HydrophobicContact CB-CD2 4Å; I402-L443 HydrophobicContact CG2-CD2 3.83Å; I402-L443 WeakPolarHBondContact O-CA 3.37Å; I402-L443 VanDerWaalsContact O-CD2 3.31Å; I402-L443 WeakPolarHBondContact O-CD2 3.4Å; L405-L443 HydrophobicContact CD1-CD1 4.13Å; L405-L443 HydrophobicContact CD1-CD2 3.71Å; L405-L443 HydrophobicContact CD1-CG 4.25Å; L405-L443 HydrophobicContact CG-CD2 3.76Å; R440-L443 WeakPolarHBondContact O-CB 3.27Å; R440-L443 PolarHBondContact O-N 2.85Å; L443-E445 PolarHBondContact O-N 2.95Å; L443-P451 HydrophobicContact CD1-CG 3.93Å
444	L	79.6	Confident	78.6	Confident	52 Å²	52	69.6 Å²	69.6	27%	0.272	39%	0.393	S	S	.	.			trans	-64.2	117.2	160.4	-172.6	73	0	0	0	106.9	W401 I402 P446	W401-L444 HydrophobicContact CB-CB 3.95Å; W401-L444 HydrophobicContact CB-CD1 4.2Å; W401-L444 HydrophobicContact CD2-CB 4.49Å; W401-L444 HydrophobicContact CD2-CD1 3.71Å; W401-L444 HydrophobicContact CE3-CD1 4.23Å; W401-L444 HydrophobicContact CG-CB 4.31Å; W401-L444 HydrophobicContact CG-CD1 3.7Å; W401-L444 HydrophobicContact CZ2-CD1 4.45Å; I402-L444 PolarHBondContact O-N 3.12Å; I402-L444 VanDerWaalsContact O-N 3.15Å; L444-P446 WeakPolarHBondContact O-CD 3.31Å; L444-P446 WeakPolarHBondContact O-CG 3.34Å; L444-P446 VanDerWaalsContact O-N 3.09Å
445	E	65.8	Low	78.5	Confident	184 Å²	184	72 Å²	72	86%	0.86	41%	0.406	S	S	*	.			trans	-59	109.9	174.7	-69	-175.7	165.1	0	0	109.3	L443	L443-E445 PolarHBondContact O-N 2.95Å
446	P	55	Low	78.5	Confident	52 Å²	52	65.6 Å²	65.6	34%	0.338	38%	0.378	S	S	.	.			trans	-94.5	134	174.6	6.7	15.6	0	0	0	107.9	L444 N448 T449	L444-P446 WeakPolarHBondContact O-CD 3.31Å; L444-P446 WeakPolarHBondContact O-CG 3.34Å; L444-P446 VanDerWaalsContact O-N 3.09Å; P446-N448 PolarHBondContact O-N 2.68Å; P446-T449 WeakPolarHBondContact CB-OG1 3.42Å
447	E	51.1	Low	78.6	Confident	193 Å²	193	66.3 Å²	66.3	90%	0.902	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-9.8	179.7	-99.9	171.2	160.1	0	0	116
448	N	50.1	Low	78.7	Confident	163 Å²	163	66.7 Å²	66.7	87%	0.872	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-165.1	24.1	173.5	-88.6	-47.6	0	0	0	116.9	P446	P446-N448 PolarHBondContact O-N 2.68Å
449	T	57.2	Low	78.9	Confident	109 Å²	109	65 Å²	65	67%	0.669	37%	0.371	S	S	*	.			trans	-144	54.4	-174.5	46.8	0	0	0	0	114.8	P446	P446-T449 WeakPolarHBondContact CB-OG1 3.42Å
450	L	60.4	Low	79	Confident	106 Å²	106	65 Å²	65	56%	0.555	37%	0.371	S	S	*	.			trans	-64.2	138.8	169.3	-78.2	158.4	0	0	0	110.7	R440	R440-L450 HydrophobicContact CG-CD2 4.43Å
451	P	65.2	Low	79.4	Confident	52 Å²	52	58 Å²	58	34%	0.338	34%	0.344	S	S	.	.			trans	-57.6	147	172.6	-20.8	30.9	0	0	0	111.7	L443 S453	L443-P451 HydrophobicContact CD1-CG 3.93Å; P451-S453 PolarHBondContact O-N 2.67Å
452	G	63.5	Low	79.9	Confident	83 Å²	83	55 Å²	55	86%	0.856	31%	0.312	S	S	*	.	S	Bend	trans	-60.4	-25.3	178.2	0	0	0	0	0	114.1
453	S	79.3	Confident	80.2	Confident	13 Å²	13	54.7 Å²	54.7	9%	0.091	31%	0.311	C	S	.	.			trans	-141.2	142.3	169	-173.9	0	0	0	0	110.5	P451 L455 R513	P451-S453 PolarHBondContact O-N 2.67Å; S453-L455 PolarHBondContact OG-N 2.68Å; S453-R513 VanDerWaalsContact CB-O 3.29Å; S453-R513 WeakPolarHBondContact CB-O 3.01Å; S453-R513 PolarHBondContact OG-O 3.44Å
454	C	90.1	Very high	80.5	Confident	4 Å²	4	54.9 Å²	54.9	3%	0.027	31%	0.312	C	S	.	.			trans	-126.5	10.1	171.8	-60.8	0	0	0	0	111.4	M439 R440	M439-C454 PolarHBondContact N-O 3.42Å; R440-C454 HydrophobicContact CB-CB 4.22Å
455	L	95	Very high	81	Confident	64 Å²	64	56.1 Å²	56.1	34%	0.335	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	134.3	-178.1	-66.9	178.9	0	0	0	109.2	L437 D438 S453 R513	L437-L455 WeakPolarHBondContact O-CA 3.32Å; D438-L455 HydrophobicContact CB-CD2 3.76Å; S453-L455 PolarHBondContact OG-N 2.68Å; L455-R513 HydrophobicContact CB-CB 4.29Å; L455-R513 WeakPolarHBondContact O-CB 3.36Å; L455-R513 PolarHBondContact O-N 3.4Å
456	Y	96.8	Very high	82	Confident	1 Å²	1	49.3 Å²	49.3	0%	0.004	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146.3	179	-70	-104.6	0	0	0	112	L405 P406 L409 G436 L437 M439 V511 E512	L405-Y456 WeakPolarHBondContact CB-OH 3.46Å; L405-Y456 HydrophobicContact CD1-CE2 4.26Å; L405-Y456 HydrophobicContact CD2-CE2 4.49Å; P406-Y456 WeakPolarHBondContact O-CE1 3.32Å; P406-Y456 PolarHBondContact O-OH 3.19Å; L409-Y456 HydrophobicContact CB-CD1 3.98Å; L409-Y456 HydrophobicContact CB-CE1 3.82Å; G436-Y456 PolarHBondContact N-O 3.03Å; G436-Y456 VanDerWaalsContact N-O 3.07Å; L437-Y456 PolarHBondContact N-O 3.14Å; L437-Y456 PolarHBondContact O-N 2.91Å; M439-Y456 HydrophobicContact CB-CE2 4.39Å; M439-Y456 HydrophobicContact CG-CD2 3.79Å; M439-Y456 HydrophobicContact CG-CE2 3.91Å; Y456-V511 CarbonylContact C-O 3.51Å; Y456-V511 VanDerWaalsContact CA-O 3.27Å; Y456-V511 WeakPolarHBondContact CA-O 3.45Å; Y456-E512 HydrophobicContact CD1-CB 4.21Å; Y456-E512 VanDerWaalsContact CD1-N 3.27Å; Y456-E512 HydrophobicContact CE1-CB 3.72Å
457	D	97.1	Very high	82.7	Confident	40 Å²	40	51 Å²	51	21%	0.214	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	141.8	173.8	-65.3	-30.2	0	0	0	110.2	K435 G436 A459 Y510 V511 R513	K435-D457 WeakPolarHBondContact CA-OD1 3.45Å; K435-D457 WeakPolarHBondContact CB-OD1 3.47Å; G436-D457 PolarHBondContact N-OD1 3.39Å; D457-A459 PolarHBondContact O-N 3.32Å; D457-Y510 CarbonylContact O-C 3.55Å; D457-Y510 WeakPolarHBondContact O-CA 3.48Å; D457-V511 PolarHBondContact N-O 3.4Å; D457-V511 PolarHBondContact O-N 3.5Å; D457-R513 VanDerWaalsContact CG-NH2 3.3Å; D457-R513 IonicContact OD1-CZ 3.77Å; D457-R513 IonicContact OD1-NE 2.66Å; D457-R513 IonicContact OD1-NH2 3.47Å; D457-R513 PolarHBondContact OD1-NH2 3.15Å; D457-R513 IonicContact OD2-CZ 3.77Å; D457-R513 IonicContact OD2-NE 3.11Å; D457-R513 PolarHBondContact OD2-NE 2.87Å; D457-R513 IonicContact OD2-NH2 3.37Å; D457-R513 PolarHBondContact OD2-NH2 2.96Å; D457-R513 VanDerWaalsContact OD2-NH2 3.11Å
458	L	97.9	Very high	83.5	Confident	8 Å²	8	42.9 Å²	42.9	4%	0.042	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	124.6	-176	-171.5	70.6	0	0	0	110	F432 L434 V461 W484 V500 L508 Y510	F432-L458 HydrophobicContact CD2-CD2 3.78Å; F432-L458 HydrophobicContact CE2-CD2 3.56Å; L434-L458 HydrophobicContact CD2-CD2 3.46Å; L434-L458 VanDerWaalsContact CD2-CD2 3.46Å; L434-L458 WeakPolarHBondContact O-CB 3.46Å; L434-L458 PolarHBondContact O-N 3.41Å; L458-V461 HydrophobicContact CD1-CG2 4.14Å; L458-V461 HydrophobicContact CD2-CG2 3.45Å; L458-V461 VanDerWaalsContact CD2-CG2 3.45Å; L458-V461 HydrophobicContact CG-CG2 4.03Å; L458-W484 HydrophobicContact CB-CH2 4.32Å; L458-W484 HydrophobicContact CD2-CH2 3.97Å; L458-W484 HydrophobicContact CD2-CZ2 4.45Å; L458-W484 HydrophobicContact CG-CH2 3.96Å; L458-W484 WeakPolarHBondContact O-CH2 3.24Å; L458-W484 WeakPolarHBondContact O-CZ2 3.35Å; L458-V500 HydrophobicContact CD2-CG1 4.47Å; L458-L508 HydrophobicContact CD1-CB 4.1Å; L458-L508 HydrophobicContact CD1-CD2 3.66Å; L458-L508 HydrophobicContact CD2-CD2 4.38Å; L458-Y510 HydrophobicContact CB-CD1 4.18Å; L458-Y510 HydrophobicContact CB-CE1 3.82Å; L458-Y510 HydrophobicContact CD1-CD1 4.22Å; L458-Y510 HydrophobicContact CD1-CD2 4.01Å; L458-Y510 HydrophobicContact CD1-CE1 3.89Å; L458-Y510 HydrophobicContact CD1-CE2 3.67Å; L458-Y510 HydrophobicContact CD1-CG 4.27Å; L458-Y510 HydrophobicContact CG-CE1 4.45Å
459	A	97.6	Very high	84.4	Confident	11 Å²	11	37.2 Å²	37.2	9%	0.091	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-36	177.4	0	0	0	0	0	112.6	I181 D457 G478 S479 F509 V511	I181-A459 HydrophobicContact CG1-CB 4.46Å; D457-A459 PolarHBondContact O-N 3.32Å; A459-G478 WeakPolarHBondContact O-CA 3.4Å; A459-S479 PolarHBondContact O-N 3.32Å; A459-F509 PolarHBondContact N-O 3.28Å; A459-V511 HydrophobicContact CB-CG2 3.54Å
460	A	98.3	Very high	84.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	153.4	179.5	0	0	0	0	0	113.4	Y477 F509	A460-Y477 CarbonylContact C-O 3.6Å; A460-Y477 WeakPolarHBondContact CA-O 3.32Å; A460-Y477 WeakPolarHBondContact CB-O 3.33Å; A460-F509 HydrophobicContact CB-CB 4.21Å; A460-F509 HydrophobicContact CB-CD2 3.89Å; A460-F509 HydrophobicContact CB-CG 4.46Å; A460-F509 PolarHBondContact N-O 2.78Å; A460-F509 PolarHBondContact O-N 3.21Å
461	V	98.6	Very high	85.7	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	122.5	177.4	-169.3	0	0	0	0	109.7	F432 L458 V463 A476 Y477 V500 A505 I507 L508	F432-V461 HydrophobicContact CE2-CG2 4.2Å; F432-V461 HydrophobicContact CZ-CG1 4.44Å; F432-V461 HydrophobicContact CZ-CG2 4.41Å; L458-V461 HydrophobicContact CD1-CG2 4.14Å; L458-V461 HydrophobicContact CD2-CG2 3.45Å; L458-V461 VanDerWaalsContact CD2-CG2 3.45Å; L458-V461 HydrophobicContact CG-CG2 4.03Å; V461-V463 HydrophobicContact CG1-CG2 4.11Å; V461-A476 CarbonylContact O-C 3.58Å; V461-A476 VanDerWaalsContact O-CA 3.26Å; V461-A476 WeakPolarHBondContact O-CA 3.49Å; V461-Y477 HydrophobicContact CB-CD2 4.45Å; V461-Y477 PolarHBondContact N-O 3.18Å; V461-Y477 PolarHBondContact O-N 3.28Å; V461-V500 HydrophobicContact CG2-CG1 4.02Å; V461-A505 HydrophobicContact CG1-CB 3.62Å; V461-I507 CarbonylContact C-O 3.56Å; V461-I507 WeakPolarHBondContact CA-O 3.46Å; V461-L508 HydrophobicContact CB-CD2 4.44Å; V461-L508 HydrophobicContact CG1-CD2 3.94Å; V461-L508 HydrophobicContact CG2-CD2 3.91Å
462	V	98.6	Very high	86.7	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	135.8	168.4	-179.1	0	0	0	0	108.4	A173 I174 S177 A262 Y474 Y506 I507 F509	A173-V462 HydrophobicContact CB-CG1 4.08Å; I174-V462 HydrophobicContact CD1-CG2 3.94Å; S177-V462 WeakPolarHBondContact OG-CG2 3.27Å; A262-V462 HydrophobicContact CB-CG1 4.43Å; V462-Y474 HydrophobicContact CG1-CD1 3.96Å; V462-Y506 HydrophobicContact CG1-CD1 4.46Å; V462-Y506 WeakPolarHBondContact O-CA 3.47Å; V462-Y506 WeakPolarHBondContact O-CB 3.47Å; V462-Y506 PolarHBondContact O-N 2.83Å; V462-I507 HydrophobicContact CB-CB 3.96Å; V462-I507 HydrophobicContact CB-CD1 4.42Å; V462-I507 HydrophobicContact CB-CG1 4.42Å; V462-I507 HydrophobicContact CG2-CB 4.12Å; V462-I507 HydrophobicContact CG2-CD1 4.45Å; V462-I507 PolarHBondContact N-O 3.4Å; V462-I507 PolarHBondContact O-N 2.85Å; V462-F509 HydrophobicContact CG2-CE2 4.09Å
463	V	97.7	Very high	88.1	Confident	4 Å²	4	30.2 Å²	30.2	2%	0.024	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134.2	-179.4	-178.5	0	0	0	0	109.2	V461 Y474 T475 Y477 A503	V461-V463 HydrophobicContact CG1-CG2 4.11Å; V463-Y474 VanDerWaalsContact O-CA 3.31Å; V463-Y474 WeakPolarHBondContact O-CA 3.34Å; V463-T475 PolarHBondContact N-O 2.99Å; V463-T475 PolarHBondContact O-N 3.45Å; V463-Y477 HydrophobicContact CG2-CD2 4.05Å; V463-Y477 HydrophobicContact CG2-CE2 3.96Å; V463-A503 HydrophobicContact CG2-CB 3.85Å
464	H	95.2	Very high	88.9	Confident	13 Å²	13	30.3 Å²	30.3	6%	0.06	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	114.5	171	179.2	-115.2	0	0	0	110.4	F416 K425 G472 Y474 Y506	F416-H464 AromaticContact CE1-CE1 3.98Å; F416-H464 AromaticContact CE1-ND1 4Å; F416-H464 AromaticContact CZ-CE1 3.55Å; F416-H464 AromaticContact CZ-ND1 3.37Å; F416-H464 WeakPolarHBondContact CZ-ND1 3.29Å; K425-H464 WeakPolarHBondContact CE-ND1 3.5Å; K425-H464 PolarHBondContact NZ-ND1 2.67Å; K425-H464 PolarHBondContact NZ-O 3.13Å; H464-G472 WeakPolarHBondContact NE2-CA 3.43Å; H464-Y474 HydrophobicContact CB-CD1 3.95Å; H464-Y474 HydrophobicContact CB-CE1 3.59Å; H464-Y474 AromaticContact CD2-CE1 3.66Å; H464-Y474 AromaticContact CD2-CE2 3.65Å; H464-Y474 AromaticContact CD2-CZ 3.44Å; H464-Y474 VanDerWaalsContact CD2-CZ 3.44Å; H464-Y474 AromaticContact CG-CE1 3.89Å; H464-Y506 HydrophobicContact CB-CG 4.42Å
465	H	91.3	Very high	89.3	Confident	79 Å²	79	30.2 Å²	30.2	37%	0.366	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	144.7	172	-55	-75.2	0	0	0	110.2	G472 H473 T475	H465-G472 CarbonylContact O-C 3.55Å; H465-G472 WeakPolarHBondContact O-CA 3.3Å; H465-H473 HydrophobicContact CB-CB 4.41Å; H465-H473 WeakPolarHBondContact CB-O 3.44Å; H465-H473 PolarHBondContact CD2-O 3.41Å; H465-H473 PolarHBondContact N-O 3.28Å; H465-H473 PolarHBondContact O-N 3.45Å; H465-T475 PolarHBondContact NE2-OG1 2.69Å
466	G	85.4	Confident	89.5	Confident	41 Å²	41	27.2 Å²	27.2	42%	0.423	19%	0.191	S	C	.	.	S	Bend	trans	123.1	155	179.3	0	0	0	0	0	113	K425	K425-G466 WeakPolarHBondContact CD-O 3.38Å; K425-G466 PolarHBondContact NZ-O 2.79Å
467	S	71.3	Confident	89.6	Confident	86 Å²	86	28.2 Å²	28.2	60%	0.601	20%	0.195	S	C	*	.	S	Bend	trans	-91.6	-9	-172.9	59.3	0	0	0	0	114.3	R132	R132-S467 PolarHBondContact NH2-OG 3.08Å
468	G	67.6	Low	89.6	Confident	23 Å²	23	26.3 Å²	26.3	24%	0.237	18%	0.184	C	C	.	.	S	Bend	trans	-131.1	173.9	-168.4	0	0	0	0	0	114
469	V	68.3	Low	89.4	Confident	45 Å²	45	27.5 Å²	27.5	27%	0.273	19%	0.193	S	C	.	.	S	Bend	trans	-92.2	-15.8	-177.5	-157.3	0	0	0	0	111.9	F416 R423	F416-V469 HydrophobicContact CB-CG1 4.19Å; F416-V469 HydrophobicContact CD1-CB 4.19Å; F416-V469 HydrophobicContact CD1-CG1 3.65Å; F416-V469 HydrophobicContact CD1-CG2 4.11Å; F416-V469 HydrophobicContact CE1-CG1 4.25Å; F416-V469 HydrophobicContact CG-CG1 4.11Å; R423-V469 HydrophobicContact CB-CB 4.15Å; R423-V469 HydrophobicContact CB-CG2 3.6Å; R423-V469 WeakPolarHBondContact O-CG2 3.36Å
470	G	67.4	Low	89	Confident	72 Å²	72	28.4 Å²	28.4	74%	0.742	20%	0.195	S	C	*	.	S	Bend	trans	-117	11.7	177.8	0	0	0	0	0	114.1	Q259	Q259-G470 PolarHBondContact OE1-O 3.44Å
471	S	77.3	Confident	88.5	Confident	60 Å²	60	35.6 Å²	35.6	42%	0.42	23%	0.229	S	C	.	.			trans	-153.9	123.3	176.7	-172.2	0	0	0	0	110.7
472	G	86.3	Confident	87.9	Confident	18 Å²	18	38.7 Å²	38.7	19%	0.186	26%	0.261	C	S	.	.			trans	-177.4	-172.1	169.8	0	0	0	0	0	113.8	H464 H465	H464-G472 WeakPolarHBondContact NE2-CA 3.43Å; H465-G472 CarbonylContact O-C 3.55Å; H465-G472 WeakPolarHBondContact O-CA 3.3Å
473	H	93.1	Very high	87.6	Confident	53 Å²	53	43.6 Å²	43.6	25%	0.245	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	131.8	-176.6	-177.6	51.1	0	0	0	110.4	C169 H465 N488 D489	C169-H473 VanDerWaalsContact CB-CE1 3.41Å; C169-H473 WeakPolarHBondContact CB-CE1 3.22Å; C169-H473 WeakPolarHBondContact CB-ND1 3.49Å; C169-H473 PolarHBondContact SG-ND1 3.43Å; C169-H473 VanDerWaalsContact SG-ND1 3.37Å; H465-H473 HydrophobicContact CB-CB 4.41Å; H465-H473 WeakPolarHBondContact CB-O 3.44Å; H465-H473 PolarHBondContact CD2-O 3.41Å; H465-H473 PolarHBondContact N-O 3.28Å; H465-H473 PolarHBondContact O-N 3.45Å; H473-N488 PolarHBondContact NE2-OD1 2.61Å; H473-D489 IonicContact CE1-OD2 3.76Å; H473-D489 PolarHBondContact CE1-OD2 3.24Å; H473-D489 VanDerWaalsContact CE1-OD2 3.25Å
474	Y	97.1	Very high	87.5	Confident	14 Å²	14	44.1 Å²	44.1	6%	0.055	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	133.4	178.6	-70	-87	0	0	0	110.8	F170 A262 V462 V463 H464 Y506	F170-Y474 HydrophobicContact CB-CD2 3.56Å; F170-Y474 HydrophobicContact CB-CE2 3.83Å; F170-Y474 HydrophobicContact CB-CG 4.21Å; A262-Y474 HydrophobicContact CB-CD1 3.75Å; A262-Y474 HydrophobicContact CB-CE1 3.54Å; A262-Y474 HydrophobicContact CB-CE2 4.38Å; A262-Y474 HydrophobicContact CB-CG 4.24Å; V462-Y474 HydrophobicContact CG1-CD1 3.96Å; V463-Y474 VanDerWaalsContact O-CA 3.31Å; V463-Y474 WeakPolarHBondContact O-CA 3.34Å; H464-Y474 HydrophobicContact CB-CD1 3.95Å; H464-Y474 HydrophobicContact CB-CE1 3.59Å; H464-Y474 AromaticContact CD2-CE1 3.66Å; H464-Y474 AromaticContact CD2-CE2 3.65Å; H464-Y474 AromaticContact CD2-CZ 3.44Å; H464-Y474 VanDerWaalsContact CD2-CZ 3.44Å; H464-Y474 AromaticContact CG-CE1 3.89Å; Y474-Y506 HydrophobicContact CD1-CD1 4.42Å; Y474-Y506 AromaticContact CE1-CD1 3.66Å; Y474-Y506 HydrophobicContact CE1-CD1 3.66Å; Y474-Y506 AromaticContact CE1-CE1 3.83Å; Y474-Y506 HydrophobicContact CE1-CE1 3.83Å
475	T	98.1	Very high	87.6	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.018	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	163.1	169.5	62.5	0	0	0	0	109.3	V463 H465 H486 N488	V463-T475 PolarHBondContact N-O 2.99Å; V463-T475 PolarHBondContact O-N 3.45Å; H465-T475 PolarHBondContact NE2-OG1 2.69Å; T475-H486 WeakPolarHBondContact CB-NE2 3.4Å; T475-N488 HydrophobicContact CG2-CB 4.08Å
476	A	98.4	Very high	87.9	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	147.7	174.9	0	0	0	0	0	111.8	A173 Q176 V461 F487	A173-A476 HydrophobicContact CB-CB 4.16Å; A173-A476 WeakPolarHBondContact O-CB 3.49Å; Q176-A476 HydrophobicContact CB-CB 4.46Å; V461-A476 CarbonylContact O-C 3.58Å; V461-A476 VanDerWaalsContact O-CA 3.26Å; V461-A476 WeakPolarHBondContact O-CA 3.49Å; A476-F487 HydrophobicContact CB-CB 4.38Å; A476-F487 PolarHBondContact N-O 3.36Å; A476-F487 PolarHBondContact O-N 2.91Å
477	Y	98.4	Very high	88.5	Confident	23 Å²	23	40.6 Å²	40.6	9%	0.09	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	135.4	160.6	-64.2	-81.8	0	0	0	108	A460 V461 V463 Y485 H486 T495 T499 V500 A503	A460-Y477 CarbonylContact C-O 3.6Å; A460-Y477 WeakPolarHBondContact CA-O 3.32Å; A460-Y477 WeakPolarHBondContact CB-O 3.33Å; V461-Y477 HydrophobicContact CB-CD2 4.45Å; V461-Y477 PolarHBondContact N-O 3.18Å; V461-Y477 PolarHBondContact O-N 3.28Å; V463-Y477 HydrophobicContact CG2-CD2 4.05Å; V463-Y477 HydrophobicContact CG2-CE2 3.96Å; Y477-Y485 CarbonylContact C-O 2.78Å; Y477-Y485 VanDerWaalsContact CA-O 3.25Å; Y477-Y485 WeakPolarHBondContact CA-O 3.44Å; Y477-H486 HydrophobicContact CD1-CB 3.81Å; Y477-H486 AromaticContact CD1-CD2 3.78Å; Y477-H486 HydrophobicContact CE1-CB 3.61Å; Y477-H486 AromaticContact CE1-CD2 3.34Å; Y477-H486 WeakPolarHBondContact CE1-CD2 3.41Å; Y477-H486 AromaticContact CE1-CG 3.63Å; Y477-H486 AromaticContact CZ-CD2 3.46Å; Y477-H486 VanDerWaalsContact CZ-CD2 3.46Å; Y477-T495 HydrophobicContact CD1-CG2 3.78Å; Y477-T495 HydrophobicContact CE1-CG2 3.95Å; Y477-T499 HydrophobicContact CE1-CG2 4.4Å; Y477-V500 HydrophobicContact CD1-CG2 3.84Å; Y477-V500 HydrophobicContact CE1-CG2 4.4Å; Y477-V500 HydrophobicContact CG-CG1 4.43Å; Y477-V500 HydrophobicContact CG-CG2 4.11Å; Y477-A503 HydrophobicContact CD2-CB 4.29Å; Y477-A503 HydrophobicContact CE2-CB 3.85Å
478	G	96.9	Very high	89.6	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	140.4	176	0	0	0	0	0	111	A459 Y485	A459-G478 WeakPolarHBondContact O-CA 3.4Å; G478-Y485 PolarHBondContact N-O 2.77Å; G478-Y485 PolarHBondContact O-N 2.84Å
479	S	94.5	Very high	90.9	Very high	33 Å²	33	39 Å²	39	23%	0.231	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	126.1	173.6	175.6	0	0	0	0	109.4	A459 H483	A459-S479 PolarHBondContact O-N 3.32Å; S479-H483 WeakPolarHBondContact CA-O 3.13Å
480	H	90.1	Very high	92.1	Very high	29 Å²	29	39.1 Å²	39.1	13%	0.134	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	129.9	173.9	-170.5	62.1	0	0	0	109.3	W231 G482 H483 Y485	W231-H480 AromaticContact CD2-NE2 3.99Å; W231-H480 AromaticContact CE3-CD2 3.64Å; W231-H480 AromaticContact CE3-NE2 3.74Å; W231-H480 HydrophobicContact CH2-CB 3.51Å; W231-H480 AromaticContact CH2-CD2 3.34Å; W231-H480 WeakPolarHBondContact CH2-CD2 3.47Å; W231-H480 AromaticContact CH2-CG 3.47Å; W231-H480 VanDerWaalsContact CH2-CG 3.47Å; W231-H480 HydrophobicContact CZ2-CB 3.83Å; W231-H480 AromaticContact CZ2-CD2 3.86Å; W231-H480 AromaticContact CZ2-CG 3.69Å; W231-H480 HydrophobicContact CZ3-CB 4.28Å; W231-H480 AromaticContact CZ3-CD2 3.2Å; W231-H480 WeakPolarHBondContact CZ3-CD2 3.41Å; W231-H480 AromaticContact CZ3-CG 3.86Å; W231-H480 AromaticContact CZ3-NE2 3.82Å; H480-G482 PolarHBondContact O-N 2.97Å; H480-G482 VanDerWaalsContact O-N 3.11Å; H480-H483 PolarHBondContact N-O 3.33Å; H480-H483 PolarHBondContact O-N 2.94Å; H480-Y485 HydrophobicContact CB-CD2 4.18Å; H480-Y485 HydrophobicContact CB-CE2 3.9Å
481	E	87	Confident	93.2	Very high	151 Å²	151	39.5 Å²	39.5	71%	0.706	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.8	40.4	-179	-60	-174.8	162.3	0	0	113.6	H483	E481-H483 VanDerWaalsContact C-N 3.25Å; E481-H483 PolarHBondContact O-N 3.04Å; E481-H483 PolarHBondContact O-ND1 2.75Å
482	G	85.6	Confident	94.1	Very high	66 Å²	66	37.6 Å²	37.6	68%	0.68	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.8	1.3	179.3	0	0	0	0	0	115.7	H480	H480-G482 PolarHBondContact O-N 2.97Å; H480-G482 VanDerWaalsContact O-N 3.11Å
483	H	92.5	Very high	94.4	Very high	102 Å²	102	39.4 Å²	39.4	47%	0.472	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	145.1	178.8	-62.1	87.9	0	0	0	111.3	S479 H480 E481 Y485 L494	S479-H483 WeakPolarHBondContact CA-O 3.13Å; H480-H483 PolarHBondContact N-O 3.33Å; H480-H483 PolarHBondContact O-N 2.94Å; E481-H483 VanDerWaalsContact C-N 3.25Å; E481-H483 PolarHBondContact O-N 3.04Å; E481-H483 PolarHBondContact O-ND1 2.75Å; H483-Y485 HydrophobicContact CB-CE2 3.79Å; H483-L494 HydrophobicContact CB-CD1 3.98Å
484	W	96.3	Very high	94.5	Very high	15 Å²	15	41.3 Å²	41.3	6%	0.057	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	131.9	176.1	-76.8	94.6	0	0	0	111.4	L434 L458 L494 T495 V500	L434-W484 HydrophobicContact CD2-CZ2 4.3Å; L458-W484 HydrophobicContact CB-CH2 4.32Å; L458-W484 HydrophobicContact CD2-CH2 3.97Å; L458-W484 HydrophobicContact CD2-CZ2 4.45Å; L458-W484 HydrophobicContact CG-CH2 3.96Å; L458-W484 WeakPolarHBondContact O-CH2 3.24Å; L458-W484 WeakPolarHBondContact O-CZ2 3.35Å; W484-L494 WeakPolarHBondContact O-CD1 3.28Å; W484-T495 HydrophobicContact CB-CG2 3.69Å; W484-T495 PolarHBondContact O-N 2.91Å; W484-V500 HydrophobicContact CB-CG2 4.12Å; W484-V500 HydrophobicContact CD2-CG1 4.44Å; W484-V500 HydrophobicContact CD2-CG2 3.82Å; W484-V500 HydrophobicContact CE3-CG1 4.15Å; W484-V500 HydrophobicContact CE3-CG2 3.86Å; W484-V500 HydrophobicContact CG-CG2 3.95Å; W484-V500 HydrophobicContact CH2-CG1 4.28Å; W484-V500 HydrophobicContact CZ3-CG1 4.07Å
485	Y	96.5	Very high	94.4	Very high	20 Å²	20	42 Å²	42	8%	0.078	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	137.9	176.6	-61	-91.9	0	0	0	109.4	A156 A159 W231 Y477 G478 H480 H483 F487 V492 L494	A156-Y485 HydrophobicContact CB-CD1 3.6Å; A156-Y485 HydrophobicContact CB-CE1 3.58Å; A159-Y485 HydrophobicContact CB-CD1 4.3Å; A159-Y485 HydrophobicContact CB-CE1 4.4Å; W231-Y485 HydrophobicContact CH2-CD2 4.28Å; W231-Y485 HydrophobicContact CH2-CE2 4.26Å; Y477-Y485 CarbonylContact C-O 2.78Å; Y477-Y485 VanDerWaalsContact CA-O 3.25Å; Y477-Y485 WeakPolarHBondContact CA-O 3.44Å; G478-Y485 PolarHBondContact N-O 2.77Å; G478-Y485 PolarHBondContact O-N 2.84Å; H480-Y485 HydrophobicContact CB-CD2 4.18Å; H480-Y485 HydrophobicContact CB-CE2 3.9Å; H483-Y485 HydrophobicContact CB-CE2 3.79Å; Y485-F487 HydrophobicContact CG-CZ 4.27Å; Y485-V492 HydrophobicContact CD1-CG1 4.17Å; Y485-L494 HydrophobicContact CD1-CD1 4.36Å; Y485-L494 HydrophobicContact CE1-CD1 4.02Å
486	H	97.8	Very high	94.3	Very high	34 Å²	34	46 Å²	46	16%	0.157	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	117.6	169.6	178.3	-124.3	0	0	0	109.2	T475 Y477 V492 T493 T495	T475-H486 WeakPolarHBondContact CB-NE2 3.4Å; Y477-H486 HydrophobicContact CD1-CB 3.81Å; Y477-H486 AromaticContact CD1-CD2 3.78Å; Y477-H486 HydrophobicContact CE1-CB 3.61Å; Y477-H486 AromaticContact CE1-CD2 3.34Å; Y477-H486 WeakPolarHBondContact CE1-CD2 3.41Å; Y477-H486 AromaticContact CE1-CG 3.63Å; Y477-H486 AromaticContact CZ-CD2 3.46Å; Y477-H486 VanDerWaalsContact CZ-CD2 3.46Å; H486-V492 WeakPolarHBondContact O-CA 3.35Å; H486-T493 PolarHBondContact N-O 3.28Å; H486-T493 PolarHBondContact O-N 3.28Å; H486-T495 HydrophobicContact CB-CG2 4.33Å
487	F	97.3	Very high	94.2	Very high	5 Å²	5	49.5 Å²	49.5	2%	0.022	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	110.8	179.6	-56.3	-85.9	0	0	0	109.4	A159 Q176 N180 W231 A476 Y485 V492	A159-F487 HydrophobicContact CB-CE1 4.47Å; Q176-F487 HydrophobicContact CB-CB 4.04Å; Q176-F487 HydrophobicContact CB-CD1 4.23Å; Q176-F487 HydrophobicContact CB-CD2 4.15Å; Q176-F487 HydrophobicContact CB-CG 3.88Å; Q176-F487 VanDerWaalsContact CD-CD1 3.41Å; Q176-F487 HydrophobicContact CG-CB 3.9Å; Q176-F487 HydrophobicContact CG-CD1 3.95Å; Q176-F487 HydrophobicContact CG-CG 3.94Å; N180-F487 WeakPolarHBondContact ND2-CE2 3.35Å; N180-F487 WeakPolarHBondContact ND2-CZ 3.48Å; W231-F487 HydrophobicContact CH2-CZ 4.43Å; W231-F487 HydrophobicContact CZ2-CZ 4.26Å; A476-F487 HydrophobicContact CB-CB 4.38Å; A476-F487 PolarHBondContact N-O 3.36Å; A476-F487 PolarHBondContact O-N 2.91Å; Y485-F487 HydrophobicContact CG-CZ 4.27Å; F487-V492 HydrophobicContact CD1-CB 4.44Å; F487-V492 HydrophobicContact CD1-CG1 3.83Å; F487-V492 HydrophobicContact CD1-CG2 3.83Å; F487-V492 HydrophobicContact CE1-CG1 3.72Å; F487-V492 HydrophobicContact CE1-CG2 4.22Å; F487-V492 HydrophobicContact CZ-CG1 4.48Å
488	N	96	Very high	94.1	Very high	56 Å²	56	52.8 Å²	52.8	30%	0.299	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	83.3	175.5	-177.9	10.8	0	0	0	109.1	H473 T475 S490 T491	H473-N488 PolarHBondContact NE2-OD1 2.61Å; T475-N488 HydrophobicContact CG2-CB 4.08Å; N488-S490 PolarHBondContact O-N 3.19Å; N488-T491 CarbonylContact C-O 3.46Å; N488-T491 PolarHBondContact N-O 3.25Å; N488-T491 PolarHBondContact O-N 3.23Å
489	D	94.8	Very high	94.1	Very high	21 Å²	21	55.4 Å²	55.4	11%	0.112	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	49	-111.6	-173	-65.7	-39.2	0	0	0	111.5	G161 L162 N164 C169 N172 H473 T491	G161-D489 CarbonylContact C-O 3.54Å; G161-D489 VanDerWaalsContact CA-O 3.23Å; G161-D489 WeakPolarHBondContact CA-O 3.39Å; L162-D489 PolarHBondContact N-O 3.37Å; L162-D489 CarbonylContact O-C 3.5Å; L162-D489 WeakPolarHBondContact O-CA 3.47Å; L162-D489 WeakPolarHBondContact O-CB 3.34Å; L162-D489 VanDerWaalsContact O-O 3.12Å; N164-D489 HydrophobicContact CB-CB 4.02Å; N164-D489 WeakPolarHBondContact CB-OD2 3.42Å; N164-D489 PolarHBondContact ND2-OD2 3.02Å; C169-D489 WeakPolarHBondContact CA-OD1 3.12Å; N172-D489 PolarHBondContact ND2-OD1 2.67Å; H473-D489 IonicContact CE1-OD2 3.76Å; H473-D489 PolarHBondContact CE1-OD2 3.24Å; H473-D489 VanDerWaalsContact CE1-OD2 3.25Å; D489-T491 PolarHBondContact O-N 3.08Å
490	S	91.8	Very high	94.2	Very high	46 Å²	46	53.8 Å²	53.8	32%	0.322	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-12.9	-176.5	-54.5	0	0	0	0	113.2	L162 R163 N488	L162-S490 PolarHBondContact O-N 3.02Å; R163-S490 WeakPolarHBondContact CA-OG 3.35Å; N488-S490 PolarHBondContact O-N 3.19Å
491	T	92.2	Very high	94.5	Very high	80 Å²	80	56 Å²	56	49%	0.491	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.7	-174.6	-47.8	0	0	0	0	109.2	N488 D489 T493	N488-T491 CarbonylContact C-O 3.46Å; N488-T491 PolarHBondContact N-O 3.25Å; N488-T491 PolarHBondContact O-N 3.23Å; D489-T491 PolarHBondContact O-N 3.08Å; T491-T493 HydrophobicContact CG2-CG2 4.05Å
492	V	94.9	Very high	94.9	Very high	21 Å²	21	56.4 Å²	56.4	13%	0.127	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.5	171.8	-170.6	0	0	0	0	108	A156 A159 Y485 H486 F487	A156-V492 HydrophobicContact CB-CB 4.3Å; A156-V492 HydrophobicContact CB-CG1 3.78Å; A159-V492 HydrophobicContact CB-CG1 3.86Å; Y485-V492 HydrophobicContact CD1-CG1 4.17Å; H486-V492 WeakPolarHBondContact O-CA 3.35Å; F487-V492 HydrophobicContact CD1-CB 4.44Å; F487-V492 HydrophobicContact CD1-CG1 3.83Å; F487-V492 HydrophobicContact CD1-CG2 3.83Å; F487-V492 HydrophobicContact CE1-CG1 3.72Å; F487-V492 HydrophobicContact CE1-CG2 4.22Å; F487-V492 HydrophobicContact CZ-CG1 4.48Å
493	T	94.1	Very high	95.4	Very high	56 Å²	56	53.7 Å²	53.7	34%	0.344	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	138.4	178.5	55.3	0	0	0	0	110.1	H486 T491	H486-T493 PolarHBondContact N-O 3.28Å; H486-T493 PolarHBondContact O-N 3.28Å; T491-T493 HydrophobicContact CG2-CG2 4.05Å
494	L	94.8	Very high	95.5	Very high	92 Å²	92	52.6 Å²	52.6	48%	0.482	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	141.4	167.2	-168.6	71.7	0	0	0	109.5	H483 W484 Y485	H483-L494 HydrophobicContact CB-CD1 3.98Å; W484-L494 WeakPolarHBondContact O-CD1 3.28Å; Y485-L494 HydrophobicContact CD1-CD1 4.36Å; Y485-L494 HydrophobicContact CE1-CD1 4.02Å
495	T	95	Very high	95.6	Very high	29 Å²	29	51.9 Å²	51.9	18%	0.178	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	164	177.9	-165.5	0	0	0	0	111.3	Y477 W484 H486 T499 V500	Y477-T495 HydrophobicContact CD1-CG2 3.78Å; Y477-T495 HydrophobicContact CE1-CG2 3.95Å; W484-T495 HydrophobicContact CB-CG2 3.69Å; W484-T495 PolarHBondContact O-N 2.91Å; H486-T495 HydrophobicContact CB-CG2 4.33Å; T495-T499 WeakPolarHBondContact OG1-CB 3.21Å; T495-V500 HydrophobicContact CG2-CG2 3.95Å
496	N	94.9	Very high	95.6	Very high	88 Å²	88	51 Å²	51	47%	0.471	27%	0.268	S	S	.	.			trans	-98.4	159.8	177.9	60.8	35.5	0	0	0	111.8	D498 T499 V500	N496-D498 PolarHBondContact O-N 2.78Å; N496-T499 PolarHBondContact O-N 3.06Å; N496-T499 VanDerWaalsContact OD1-CB 3.31Å; N496-T499 WeakPolarHBondContact OD1-CB 3.39Å; N496-T499 PolarHBondContact OD1-N 3.45Å; N496-T499 PolarHBondContact OD1-OG1 3.16Å; N496-V500 PolarHBondContact O-N 3.03Å
497	E	96.6	Very high	95.7	Very high	73 Å²	73	49.4 Å²	49.4	34%	0.341	26%	0.26	S	S	.	.	H	α-helix	trans	-55.6	-36.5	178.6	-74.4	-164.2	174	0	0	113.2	L434 T499 V500 K501	L434-E497 HydrophobicContact CD1-CB 3.45Å; L434-E497 VanDerWaalsContact CD1-CB 3.45Å; L434-E497 HydrophobicContact CD1-CG 3.55Å; E497-T499 VanDerWaalsContact C-N 3.31Å; E497-T499 PolarHBondContact O-N 3.32Å; E497-V500 PolarHBondContact O-N 3.09Å; E497-K501 WeakPolarHBondContact O-CG 3.33Å; E497-K501 PolarHBondContact O-N 3.32Å; E497-K501 IonicContact OE2-NZ 3.63Å
498	D	96.3	Very high	95.8	Very high	91 Å²	91	49.2 Å²	49.2	49%	0.487	26%	0.259	S	S	.	.	H	α-helix	trans	-66.5	-33.7	-178.1	-65.4	-35.4	0	0	0	112.7	N496 K501 K502	N496-D498 PolarHBondContact O-N 2.78Å; D498-K501 IonicContact OD1-NZ 2.81Å; D498-K502 WeakPolarHBondContact O-CD 3.47Å; D498-K502 VanDerWaalsContact O-CG 3.31Å; D498-K502 WeakPolarHBondContact O-CG 3.44Å; D498-K502 PolarHBondContact O-N 3.06Å
499	T	96.5	Very high	95.9	Very high	55 Å²	55	46.5 Å²	46.5	34%	0.337	25%	0.245	S	C	.	.	H	α-helix	trans	-68.7	-41.4	174.1	-59.2	0	0	0	0	110.5	Y477 T495 N496 E497 K502 A503	Y477-T499 HydrophobicContact CE1-CG2 4.4Å; T495-T499 WeakPolarHBondContact OG1-CB 3.21Å; N496-T499 PolarHBondContact O-N 3.06Å; N496-T499 VanDerWaalsContact OD1-CB 3.31Å; N496-T499 WeakPolarHBondContact OD1-CB 3.39Å; N496-T499 PolarHBondContact OD1-N 3.45Å; N496-T499 PolarHBondContact OD1-OG1 3.16Å; E497-T499 VanDerWaalsContact C-N 3.31Å; E497-T499 PolarHBondContact O-N 3.32Å; T499-K502 PolarHBondContact O-N 3.33Å; T499-A503 PolarHBondContact O-N 2.87Å
500	V	97.4	Very high	96	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.7	-47.2	177.1	-176.9	0	0	0	0	110.5	F432 L434 L458 V461 Y477 W484 T495 N496 E497 K502 A503	F432-V500 VanDerWaalsContact CZ-O 3.31Å; F432-V500 WeakPolarHBondContact CZ-O 3.43Å; L434-V500 HydrophobicContact CD2-CB 4.4Å; L434-V500 HydrophobicContact CD2-CG1 3.91Å; L458-V500 HydrophobicContact CD2-CG1 4.47Å; V461-V500 HydrophobicContact CG2-CG1 4.02Å; Y477-V500 HydrophobicContact CD1-CG2 3.84Å; Y477-V500 HydrophobicContact CE1-CG2 4.4Å; Y477-V500 HydrophobicContact CG-CG1 4.43Å; Y477-V500 HydrophobicContact CG-CG2 4.11Å; W484-V500 HydrophobicContact CB-CG2 4.12Å; W484-V500 HydrophobicContact CD2-CG1 4.44Å; W484-V500 HydrophobicContact CD2-CG2 3.82Å; W484-V500 HydrophobicContact CE3-CG1 4.15Å; W484-V500 HydrophobicContact CE3-CG2 3.86Å; W484-V500 HydrophobicContact CG-CG2 3.95Å; W484-V500 HydrophobicContact CH2-CG1 4.28Å; W484-V500 HydrophobicContact CZ3-CG1 4.07Å; T495-V500 HydrophobicContact CG2-CG2 3.95Å; N496-V500 PolarHBondContact O-N 3.03Å; E497-V500 PolarHBondContact O-N 3.09Å; V500-K502 PolarHBondContact O-N 3.41Å; V500-A503 WeakPolarHBondContact O-CB 3.5Å; V500-A503 PolarHBondContact O-N 3.2Å
501	K	96.6	Very high	96.3	Very high	75 Å²	75	44.3 Å²	44.3	33%	0.326	23%	0.23	S	C	.	.	H	α-helix	trans	-56.6	-36.7	178.3	-71.8	170.3	-168.4	163.3	0	112.7	Y429 L434 E497 D498 A503	Y429-K501 WeakPolarHBondContact CE2-O 3.31Å; Y429-K501 PolarHBondContact OH-O 2.86Å; L434-K501 HydrophobicContact CD1-CD 4.31Å; L434-K501 VanDerWaalsContact CD1-CE 3.45Å; L434-K501 HydrophobicContact CD1-CG 3.95Å; L434-K501 HydrophobicContact CD2-CG 4.09Å; L434-K501 HydrophobicContact CG-CD 4.4Å; L434-K501 HydrophobicContact CG-CG 3.79Å; E497-K501 WeakPolarHBondContact O-CG 3.33Å; E497-K501 PolarHBondContact O-N 3.32Å; E497-K501 IonicContact OE2-NZ 3.63Å; D498-K501 IonicContact OD1-NZ 2.81Å; K501-A503 PolarHBondContact O-N 3.21Å
502	K	95.8	Very high	96.4	Very high	159 Å²	159	43 Å²	43	69%	0.691	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-6.4	-179.6	-69.7	170.3	-173.7	172.4	0	113.6	D498 T499 V500	D498-K502 WeakPolarHBondContact O-CD 3.47Å; D498-K502 VanDerWaalsContact O-CG 3.31Å; D498-K502 WeakPolarHBondContact O-CG 3.44Å; D498-K502 PolarHBondContact O-N 3.06Å; T499-K502 PolarHBondContact O-N 3.33Å; V500-K502 PolarHBondContact O-N 3.41Å
503	A	95.6	Very high	96.2	Very high	10 Å²	10	46.3 Å²	46.3	8%	0.083	23%	0.229	C	C	.	.	S	Bend	trans	-67.1	142.9	-178	0	0	0	0	0	112.3	F432 V463 Y477 T499 V500 K501 A505	F432-A503 WeakPolarHBondContact CE1-O 3.33Å; V463-A503 HydrophobicContact CG2-CB 3.85Å; Y477-A503 HydrophobicContact CD2-CB 4.29Å; Y477-A503 HydrophobicContact CE2-CB 3.85Å; T499-A503 PolarHBondContact O-N 2.87Å; V500-A503 WeakPolarHBondContact O-CB 3.5Å; V500-A503 PolarHBondContact O-N 3.2Å; K501-A503 PolarHBondContact O-N 3.21Å; A503-A505 VanDerWaalsContact C-N 3.27Å; A503-A505 PolarHBondContact O-N 3.25Å
504	K	95	Very high	95.6	Very high	78 Å²	78	48.8 Å²	48.8	34%	0.339	24%	0.244	S	C	.	.			trans	-81.7	76.2	170.8	-69.9	177.8	175.3	173.7	0	109.9	D427 Y506	D427-K504 WeakPolarHBondContact O-CE 3.47Å; D427-K504 WeakPolarHBondContact OD1-CD 3.43Å; D427-K504 IonicContact OD1-NZ 2.77Å; D427-K504 PolarHBondContact OD1-NZ 2.9Å; D427-K504 IonicContact OD2-NZ 2.69Å; D427-K504 PolarHBondContact OD2-NZ 3.26Å; K504-Y506 PolarHBondContact O-N 2.93Å
505	A	97.4	Very high	94.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	132.8	-174.7	0	0	0	0	0	112.4	L413 R415 F432 V461 A503 L508	L413-A505 HydrophobicContact CD1-CB 4.4Å; L413-A505 WeakPolarHBondContact CD1-O 3.46Å; R415-A505 PolarHBondContact NE-O 3.49Å; R415-A505 PolarHBondContact NH2-O 2.93Å; F432-A505 HydrophobicContact CD1-CB 4.01Å; F432-A505 HydrophobicContact CE1-CB 3.63Å; F432-A505 HydrophobicContact CZ-CB 4.25Å; V461-A505 HydrophobicContact CG1-CB 3.62Å; A503-A505 VanDerWaalsContact C-N 3.27Å; A503-A505 PolarHBondContact O-N 3.25Å; A505-L508 HydrophobicContact CB-CD1 4.11Å; A505-L508 HydrophobicContact CB-CD2 3.72Å; A505-L508 HydrophobicContact CB-CG 3.87Å
506	Y	97.8	Very high	91.9	Very high	3 Å²	3	55.9 Å²	55.9	1%	0.012	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-48.8	172.4	-178.1	-124.7	0	0	0	110.8	D261 A262 H263 H412 L413 R415 F416 V462 H464 Y474 K504	D261-Y506 PolarHBondContact OD1-OH 3.06Å; D261-Y506 PolarHBondContact OD2-OH 2.94Å; A262-Y506 HydrophobicContact CB-CD1 4.49Å; A262-Y506 HydrophobicContact CB-CE1 4.23Å; H263-Y506 HydrophobicContact CB-CE1 4.16Å; H412-Y506 AromaticContact CD2-CE2 3.73Å; H412-Y506 AromaticContact CD2-CZ 3.84Å; H412-Y506 AromaticContact NE2-CE2 3.4Å; H412-Y506 WeakPolarHBondContact NE2-CE2 3.32Å; H412-Y506 AromaticContact NE2-CZ 3.5Å; H412-Y506 PolarHBondContact NE2-OH 3.4Å; L413-Y506 PolarHBondContact N-O 3.32Å; R415-Y506 HydrophobicContact CB-CD2 4.37Å; R415-Y506 HydrophobicContact CB-CE2 4.46Å; R415-Y506 HydrophobicContact CG-CD2 4.35Å; F416-Y506 HydrophobicContact CD2-CE2 4.1Å; F416-Y506 AromaticContact CE2-CE2 3.84Å; F416-Y506 HydrophobicContact CE2-CE2 3.84Å; F416-Y506 AromaticContact CE2-CZ 3.97Å; V462-Y506 HydrophobicContact CG1-CD1 4.46Å; V462-Y506 WeakPolarHBondContact O-CA 3.47Å; V462-Y506 WeakPolarHBondContact O-CB 3.47Å; V462-Y506 PolarHBondContact O-N 2.83Å; H464-Y506 HydrophobicContact CB-CG 4.42Å; Y474-Y506 HydrophobicContact CD1-CD1 4.42Å; Y474-Y506 AromaticContact CE1-CD1 3.66Å; Y474-Y506 HydrophobicContact CE1-CD1 3.66Å; Y474-Y506 AromaticContact CE1-CE1 3.83Å; Y474-Y506 HydrophobicContact CE1-CE1 3.83Å; K504-Y506 PolarHBondContact O-N 2.93Å
507	I	98.7	Very high	89.2	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.7	173.4	-53.4	164.7	0	0	0	107.9	I174 A262 H263 M266 L411 V461 V462 F509	I174-I507 HydrophobicContact CD1-CD1 3.81Å; A262-I507 HydrophobicContact CB-CD1 4.4Å; H263-I507 HydrophobicContact CB-CD1 3.95Å; H263-I507 HydrophobicContact CB-CG1 4.49Å; M266-I507 HydrophobicContact SD-CD1 4.49Å; M266-I507 HydrophobicContact SD-CG2 4.3Å; L411-I507 CarbonylContact O-C 3.57Å; L411-I507 WeakPolarHBondContact O-CA 3.47Å; V461-I507 CarbonylContact C-O 3.56Å; V461-I507 WeakPolarHBondContact CA-O 3.46Å; V462-I507 HydrophobicContact CB-CB 3.96Å; V462-I507 HydrophobicContact CB-CD1 4.42Å; V462-I507 HydrophobicContact CB-CG1 4.42Å; V462-I507 HydrophobicContact CG2-CB 4.12Å; V462-I507 HydrophobicContact CG2-CD1 4.45Å; V462-I507 PolarHBondContact N-O 3.4Å; V462-I507 PolarHBondContact O-N 2.85Å; I507-F509 HydrophobicContact CG2-CD2 4.36Å; I507-F509 HydrophobicContact CG2-CE1 4.44Å; I507-F509 HydrophobicContact CG2-CE2 3.79Å; I507-F509 HydrophobicContact CG2-CZ 3.86Å
508	L	98.8	Very high	86.3	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.2	178.4	-65.8	152.5	0	0	0	108.6	L366 L411 L413 F432 L458 V461 A505 Y510	L366-L508 HydrophobicContact CD1-CD1 3.98Å; L366-L508 HydrophobicContact CD2-CD1 4.06Å; L411-L508 HydrophobicContact CB-CB 4.33Å; L411-L508 PolarHBondContact N-O 3.14Å; L411-L508 PolarHBondContact O-N 3.38Å; L413-L508 HydrophobicContact CD1-CD1 4.46Å; F432-L508 HydrophobicContact CB-CD1 4.36Å; F432-L508 HydrophobicContact CD1-CD2 4.18Å; F432-L508 HydrophobicContact CD2-CD2 3.78Å; F432-L508 HydrophobicContact CE1-CD2 4.38Å; F432-L508 HydrophobicContact CE2-CD2 3.99Å; F432-L508 HydrophobicContact CG-CD1 4.44Å; F432-L508 HydrophobicContact CG-CD2 3.89Å; F432-L508 HydrophobicContact CZ-CD2 4.27Å; L458-L508 HydrophobicContact CD1-CB 4.1Å; L458-L508 HydrophobicContact CD1-CD2 3.66Å; L458-L508 HydrophobicContact CD2-CD2 4.38Å; V461-L508 HydrophobicContact CB-CD2 4.44Å; V461-L508 HydrophobicContact CG1-CD2 3.94Å; V461-L508 HydrophobicContact CG2-CD2 3.91Å; A505-L508 HydrophobicContact CB-CD1 4.11Å; A505-L508 HydrophobicContact CB-CD2 3.72Å; A505-L508 HydrophobicContact CB-CG 3.87Å; L508-Y510 HydrophobicContact CB-CD2 4.05Å; L508-Y510 HydrophobicContact CB-CE2 3.73Å; L508-Y510 HydrophobicContact CD1-CE2 4.29Å; L508-Y510 HydrophobicContact CD2-CE2 4.43Å; L508-Y510 HydrophobicContact CG-CE2 4.37Å
509	F	98.6	Very high	83.4	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	114.5	173.4	-62.9	-85	0	0	0	109.4	L178 I181 M266 F316 C410 A459 A460 V462 I507	L178-F509 HydrophobicContact CD2-CE1 4.24Å; L178-F509 HydrophobicContact CD2-CZ 4.45Å; I181-F509 HydrophobicContact CD1-CB 3.85Å; I181-F509 HydrophobicContact CD1-CD1 3.6Å; I181-F509 HydrophobicContact CD1-CD2 4.49Å; I181-F509 HydrophobicContact CD1-CE1 4.22Å; I181-F509 HydrophobicContact CD1-CG 3.73Å; I181-F509 HydrophobicContact CG1-CB 4.43Å; M266-F509 HydrophobicContact SD-CE1 3.75Å; M266-F509 HydrophobicContact SD-CZ 3.48Å; M266-F509 WeakPolarHBondContact SD-CZ 3.43Å; F316-F509 HydrophobicContact CE1-CD1 4.12Å; F316-F509 HydrophobicContact CE1-CE1 4.28Å; C410-F509 HydrophobicContact CB-CD1 4.19Å; C410-F509 HydrophobicContact CB-CE1 4.21Å; A459-F509 PolarHBondContact N-O 3.28Å; A460-F509 HydrophobicContact CB-CB 4.21Å; A460-F509 HydrophobicContact CB-CD2 3.89Å; A460-F509 HydrophobicContact CB-CG 4.46Å; A460-F509 PolarHBondContact N-O 2.78Å; A460-F509 PolarHBondContact O-N 3.21Å; V462-F509 HydrophobicContact CG2-CE2 4.09Å; I507-F509 HydrophobicContact CG2-CD2 4.36Å; I507-F509 HydrophobicContact CG2-CE1 4.44Å; I507-F509 HydrophobicContact CG2-CE2 3.79Å; I507-F509 HydrophobicContact CG2-CZ 3.86Å
510	Y	98.1	Very high	80.3	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.4	-179.9	-84.9	-79.9	0	0	0	109.5	L366 V408 L409 L411 P433 L437 D457 L458 L508	L366-Y510 HydrophobicContact CD2-CE2 3.65Å; L366-Y510 WeakPolarHBondContact CD2-OH 3.5Å; V408-Y510 CarbonylContact C-O 3.58Å; V408-Y510 VanDerWaalsContact CA-O 3.23Å; V408-Y510 WeakPolarHBondContact CA-O 3.39Å; L409-Y510 PolarHBondContact N-O 2.86Å; L409-Y510 PolarHBondContact O-N 3.27Å; L411-Y510 HydrophobicContact CD1-CD2 3.99Å; L411-Y510 HydrophobicContact CD1-CE2 4.09Å; P433-Y510 WeakPolarHBondContact O-CE1 3.48Å; P433-Y510 PolarHBondContact O-OH 3.42Å; L437-Y510 HydrophobicContact CB-CD1 3.98Å; L437-Y510 HydrophobicContact CB-CE1 3.76Å; L437-Y510 HydrophobicContact CD2-CD1 3.81Å; L437-Y510 HydrophobicContact CD2-CD2 3.78Å; L437-Y510 HydrophobicContact CD2-CE1 3.78Å; L437-Y510 HydrophobicContact CD2-CE2 3.75Å; L437-Y510 HydrophobicContact CD2-CG 3.8Å; L437-Y510 HydrophobicContact CG-CE1 4.39Å; D457-Y510 CarbonylContact O-C 3.55Å; D457-Y510 WeakPolarHBondContact O-CA 3.48Å; L458-Y510 HydrophobicContact CB-CD1 4.18Å; L458-Y510 HydrophobicContact CB-CE1 3.82Å; L458-Y510 HydrophobicContact CD1-CD1 4.22Å; L458-Y510 HydrophobicContact CD1-CD2 4.01Å; L458-Y510 HydrophobicContact CD1-CE1 3.89Å; L458-Y510 HydrophobicContact CD1-CE2 3.67Å; L458-Y510 HydrophobicContact CD1-CG 4.27Å; L458-Y510 HydrophobicContact CG-CE1 4.45Å; L508-Y510 HydrophobicContact CB-CD2 4.05Å; L508-Y510 HydrophobicContact CB-CE2 3.73Å; L508-Y510 HydrophobicContact CD1-CE2 4.29Å; L508-Y510 HydrophobicContact CD2-CE2 4.43Å; L508-Y510 HydrophobicContact CG-CE2 4.37Å
511	V	96.7	Very high	77.1	Confident	20 Å²	20	72.2 Å²	72.2	12%	0.121	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	133.4	178.9	173.4	0	0	0	0	109	I181 V408 Y456 D457 A459 R513	I181-V511 HydrophobicContact CG2-CG2 4.48Å; V408-V511 HydrophobicContact CG1-CG2 4.42Å; V408-V511 HydrophobicContact CG2-CG2 4.15Å; Y456-V511 CarbonylContact C-O 3.51Å; Y456-V511 VanDerWaalsContact CA-O 3.27Å; Y456-V511 WeakPolarHBondContact CA-O 3.45Å; D457-V511 PolarHBondContact N-O 3.4Å; D457-V511 PolarHBondContact O-N 3.5Å; A459-V511 HydrophobicContact CB-CG2 3.54Å; V511-R513 PolarHBondContact O-N 3.2Å
512	E	95	Very high	74.1	Confident	52 Å²	52	75.4 Å²	75.4	24%	0.243	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	127.4	176.3	-177.2	-175.4	-166.4	0	0	109.9	K407 Y456 T514	K407-E512 WeakPolarHBondContact O-CB 3.16Å; K407-E512 PolarHBondContact O-N 3.28Å; Y456-E512 HydrophobicContact CD1-CB 4.21Å; Y456-E512 VanDerWaalsContact CD1-N 3.27Å; Y456-E512 HydrophobicContact CE1-CB 3.72Å; E512-T514 PolarHBondContact O-N 3.42Å
513	R	91.4	Very high	71.1	Confident	92 Å²	92	72.8 Å²	72.8	35%	0.347	40%	0.399	S	S	.	.			trans	-74.7	111	174	-173.1	-176.8	-67.5	174.2	-0.4	108.4	S453 L455 D457 V511 V515	S453-R513 VanDerWaalsContact CB-O 3.29Å; S453-R513 WeakPolarHBondContact CB-O 3.01Å; S453-R513 PolarHBondContact OG-O 3.44Å; L455-R513 HydrophobicContact CB-CB 4.29Å; L455-R513 WeakPolarHBondContact O-CB 3.36Å; L455-R513 PolarHBondContact O-N 3.4Å; D457-R513 VanDerWaalsContact CG-NH2 3.3Å; D457-R513 IonicContact OD1-CZ 3.77Å; D457-R513 IonicContact OD1-NE 2.66Å; D457-R513 IonicContact OD1-NH2 3.47Å; D457-R513 PolarHBondContact OD1-NH2 3.15Å; D457-R513 IonicContact OD2-CZ 3.77Å; D457-R513 IonicContact OD2-NE 3.11Å; D457-R513 PolarHBondContact OD2-NE 2.87Å; D457-R513 IonicContact OD2-NH2 3.37Å; D457-R513 PolarHBondContact OD2-NH2 2.96Å; D457-R513 VanDerWaalsContact OD2-NH2 3.11Å; V511-R513 PolarHBondContact O-N 3.2Å; R513-V515 PolarHBondContact O-N 2.91Å
514	T	81.4	Confident	68	Low	107 Å²	107	77.6 Å²	77.6	66%	0.656	43%	0.428	S	S	*	.			trans	-71.9	124	167.2	49.5	0	0	0	0	108.6	E512 Q516	E512-T514 PolarHBondContact O-N 3.42Å; T514-Q516 VanDerWaalsContact C-N 3.35Å; T514-Q516 PolarHBondContact O-N 3.01Å
515	V	64.3	Low	65	Low	111 Å²	111	78.4 Å²	78.4	67%	0.673	45%	0.448	S	S	*	.			trans	-67.8	100.7	168.1	-176.6	0	0	0	0	105.9	R513 E517	R513-V515 PolarHBondContact O-N 2.91Å; V515-E517 PolarHBondContact O-N 3.46Å; V515-E517 VanDerWaalsContact O-N 3.1Å
516	Q	46.3	Very low	61.6	Low	160 Å²	160	84.7 Å²	84.7	75%	0.748	49%	0.487	S	S	*	.			trans	-65.3	110.5	165.2	-161.8	74.8	25.5	0	0	105.2	T514 A518	T514-Q516 VanDerWaalsContact C-N 3.35Å; T514-Q516 PolarHBondContact O-N 3.01Å; Q516-A518 VanDerWaalsContact C-N 3.27Å; Q516-A518 PolarHBondContact O-N 3.33Å
517	E	39.8	Very low	58.4	Low	160 Å²	160	90.7 Å²	90.7	75%	0.748	52%	0.524	S	S	*	.			trans	-57.5	101.6	162.2	-74.2	-179.4	172.3	0	0	106	V515 L519	V515-E517 PolarHBondContact O-N 3.46Å; V515-E517 VanDerWaalsContact O-N 3.1Å; E517-L519 PolarHBondContact O-N 3.14Å
518	A	34.7	Very low	55.2	Low	79 Å²	79	99.3 Å²	99.3	65%	0.653	56%	0.564	S	S	*	*			trans	-67.7	83.3	167.7	0	0	0	0	0	106.9	Q516 D520	Q516-A518 VanDerWaalsContact C-N 3.27Å; Q516-A518 PolarHBondContact O-N 3.33Å; A518-D520 PolarHBondContact O-N 3.05Å
519	L	36.3	Very low	51.8	Low	143 Å²	143	105.1 Å²	105.1	75%	0.749	60%	0.603	S	S	*	*			trans	-73.2	79.8	153.4	-73.2	170.3	0	0	0	106.4	E517 T521	E517-L519 PolarHBondContact O-N 3.14Å; L519-T521 PolarHBondContact O-N 3.41Å
520	D	30.8	Very low	48.4	Very low	151 Å²	151	108.9 Å²	108.9	81%	0.807	64%	0.641	S	S	*	*			trans	-67.5	83.8	157.7	-75.4	-29.9	0	0	0	107.1	A518 D522	A518-D520 PolarHBondContact O-N 3.05Å; D520-D522 VanDerWaalsContact C-N 3.29Å; D520-D522 PolarHBondContact O-N 2.89Å
521	T	31	Very low	45.1	Very low	116 Å²	116	115.3 Å²	115.3	71%	0.712	68%	0.68	S	S	*	*			trans	-66.7	97.4	156.4	34	0	0	0	0	107.5	L519 S523	L519-T521 PolarHBondContact O-N 3.41Å; T521-S523 VanDerWaalsContact C-N 3.29Å; T521-S523 PolarHBondContact O-N 2.93Å; T521-S523 PolarHBondContact O-OG 3.36Å
522	D	32.7	Very low	41.8	Very low	143 Å²	143	121.9 Å²	121.9	77%	0.765	71%	0.714	S	S	*	*			trans	-50.6	93.1	162.9	-166.8	18.7	0	0	0	109.3	D520 T524	D520-D522 VanDerWaalsContact C-N 3.29Å; D520-D522 PolarHBondContact O-N 2.89Å; D522-T524 PolarHBondContact O-N 2.95Å
523	S	32.6	Very low	38.6	Very low	103 Å²	103	125.5 Å²	125.5	72%	0.72	74%	0.74	S	S	*	*			trans	-90.9	88	173.9	-64.5	0	0	0	0	107.5	T521 A525	T521-S523 VanDerWaalsContact C-N 3.29Å; T521-S523 PolarHBondContact O-N 2.93Å; T521-S523 PolarHBondContact O-OG 3.36Å; S523-A525 PolarHBondContact O-N 3.14Å
524	T	31	Very low	35.6	Very low	112 Å²	112	125.6 Å²	125.6	69%	0.687	76%	0.76	S	S	*	*			trans	-55	116.2	164.9	33.3	0	0	0	0	109.6	D522 T526	D522-T524 PolarHBondContact O-N 2.95Å; T524-T526 PolarHBondContact O-N 2.96Å; T524-T526 VanDerWaalsContact O-N 3.1Å
525	A	31.6	Very low	33	Very low	94 Å²	94	124.8 Å²	124.8	78%	0.777	77%	0.765	S	S	*	*			trans	-62.6	107.6	171.5	0	0	0	0	0	109.8	S523 T527	S523-A525 PolarHBondContact O-N 3.14Å; A525-T527 PolarHBondContact O-N 3.37Å
526	T	27.1	Very low	31.2	Very low	133 Å²	133	125.1 Å²	125.1	82%	0.816	77%	0.767	S	S	*	*			trans	-83.8	102.4	167.4	-56.1	0	0	0	0	108.1	T524	T524-T526 PolarHBondContact O-N 2.96Å; T524-T526 VanDerWaalsContact O-N 3.1Å
527	T	30.1	Very low	30.2	Very low	129 Å²	129	124.5 Å²	124.5	79%	0.791	77%	0.769	S	S	*	*			trans	-105.4	124.3	163	-48.2	0	0	0	0	107.7	A525	A525-T527 PolarHBondContact O-N 3.37Å
528	Q	30.2	Very low	29.6	Very low	180 Å²	180	121.9 Å²	121.9	84%	0.841	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-56.5	145	-180	-64.9	-179.1	-22.4	0	0	112.6
529	P	28.4	Very low	29.2	Very low	123 Å²	123	124.2 Å²	124.2	80%	0.799	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-97.6	136.1	154.6	18.7	-1.2	0	0	0	110.9
530	G	26.8	Very low	28.7	Very low	78 Å²	78	122 Å²	122	80%	0.804	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-64.9	148.5	172.4	0	0	0	0	0	112.6
531	V	28.5	Very low	28.5	Very low	135 Å²	135	121.3 Å²	121.3	82%	0.818	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-72.1	124.7	169.3	175.8	0	0	0	0	108
532	D	28.3	Very low	28.3	Very low	159 Å²	159	123.9 Å²	123.9	85%	0.85	78%	0.775	S	S	*	*			trans	-152.1	138.7	143.4	-94.4	-29.2	0	0	0	111.4
533	T	27.4	Very low	27.9	Very low	127 Å²	127	123.2 Å²	123.2	78%	0.779	78%	0.776	S	S	*	*			trans	-60.6	139.7	-176	40.5	0	0	0	0	115.2
534	A	27.4	Very low	27.7	Very low	94 Å²	94	124.7 Å²	124.7	78%	0.777	78%	0.781	S	S	*	*				154.9	126.2	108.4	0	0	0	0	0	113.9
535	A	27	Very low	27.4	Very low	90 Å²	90	124.9 Å²	124.9	74%	0.744	79%	0.786	S	S	*	*			trans	78.8	127.6	136.6	0	0	0	0	0	122.5
536	T	27.8	Very low	27.2	Very low	118 Å²	118	129 Å²	129	72%	0.724	79%	0.789	S	S	*	*			trans	85.8	115	140.4	17.5	0	0	0	0	120.1
537	D	25.7	Very low	27.1	Very low	147 Å²	147	130 Å²	130	79%	0.786	79%	0.79	S	S	*	*			trans	56.6	138.6	132.4	-66.8	-6.6	0	0	0	118.8
538	C	26.3	Very low	27	Very low	106 Å²	106	131.8 Å²	131.8	72%	0.716	79%	0.789	S	S	*	*			cis	-175.6	145.4	12.3	44.7	0	0	0	0	108.2
539	V	27.2	Very low	26.9	Very low	127 Å²	127	128.6 Å²	128.6	77%	0.77	78%	0.782	S	S	*	*			trans	67.5	117.3	130	174.4	0	0	0	0	120.6
540	S	25.6	Very low	26.8	Very low	98 Å²	98	129.2 Å²	129.2	69%	0.685	78%	0.783	S	S	*	*			trans	70.1	146.1	138.6	-55.9	0	0	0	0	118.9
541	T	25.6	Very low	27	Very low	135 Å²	135	129.7 Å²	129.7	83%	0.828	78%	0.78	S	S	*	*			cis	-166.9	158.3	19.8	-0.8	0	0	0	0	109.4
542	E	26.5	Very low	26.8	Very low	171 Å²	171	131 Å²	131	80%	0.799	78%	0.782	S	S	*	*			trans	-64.2	168.4	175.1	-58.3	176.8	134.3	0	0	115.3
543	T	25.5	Very low	26.8	Very low	128 Å²	128	127.3 Å²	127.3	79%	0.785	77%	0.773	S	S	*	*			trans	142.1	110.9	136.4	48.4	0	0	0	0	108.7
544	V	26.9	Very low	26.7	Very low	135 Å²	135	129.5 Å²	129.5	82%	0.818	78%	0.775	S	S	*	*				57.1	109.4	58.6	-172.2	0	0	0	0	113.2
545	S	25.2	Very low	26.7	Very low	115 Å²	115	130.6 Å²	130.6	80%	0.804	77%	0.772	S	S	*	*				-176.5	141	117.2	51.5	0	0	0	0	112.9
546	Q	28.3	Very low	26.7	Very low	180 Å²	180	131.1 Å²	131.1	84%	0.841	77%	0.769	S	S	*	*			trans	-77.3	168.6	169.2	-65.3	168.1	-25.3	0	0	111.5
547	D	24.3	Very low	26.6	Very low	156 Å²	156	133.5 Å²	133.5	83%	0.834	78%	0.776	S	S	*	*			trans	171.9	161.3	144.9	-88.1	-15.5	0	0	0	107.4
548	E	28.6	Very low	26.8	Very low	166 Å²	166	129.9 Å²	129.9	78%	0.776	77%	0.767	S	S	*	*			cis	-167	148	-45.5	-134.7	-156.5	175.5	0	0	104.8
549	V	27.6	Very low	26.8	Very low	112 Å²	112	132.9 Å²	132.9	68%	0.679	78%	0.776	S	S	*	*			trans	38.5	140.9	153.2	-135.9	0	0	0	0	124.3
550	V	26.6	Very low	26.7	Very low	136 Å²	136	130.3 Å²	130.3	82%	0.824	78%	0.775	S	S	*	*				150.7	134.7	115.5	-174.8	0	0	0	0	112.8
551	A	30.5	Very low	26.8	Very low	89 Å²	89	131 Å²	131	74%	0.736	79%	0.787	S	S	*	*			trans	-77.6	164.1	-179.4	0	0	0	0	0	114.8
552	D	24.7	Very low	26.8	Very low	163 Å²	163	128.9 Å²	128.9	87%	0.872	78%	0.783	S	S	*	*			trans	-158.9	154.6	136.4	-139.9	-6.6	0	0	0	113.5
553	A	29.1	Very low	26.8	Very low	80 Å²	80	127.9 Å²	127.9	66%	0.661	79%	0.789	S	S	*	*			trans	-126.2	148	-174.2	0	0	0	0	0	111.8
554	Q	25.4	Very low	26.8	Very low	174 Å²	174	130.8 Å²	130.8	81%	0.813	79%	0.794	S	S	*	*			trans	-175.5	112.3	151.7	-114	150.2	-4.9	0	0	109.5
555	T	26.3	Very low	26.8	Very low	117 Å²	117	128.6 Å²	128.6	72%	0.718	79%	0.79	S	S	*	*				48.1	131.3	86.7	58.3	0	0	0	0	113.9
556	C	26.5	Very low	26.8	Very low	100 Å²	100	131 Å²	131	68%	0.676	79%	0.794	S	S	*	*				-173.7	135.3	68.3	-62.5	0	0	0	0	111.8
557	L	26.9	Very low	26.9	Very low	168 Å²	168	129.8 Å²	129.8	88%	0.88	79%	0.791	S	S	*	*				74.1	149.2	113.7	-59.4	173.3	0	0	0	117.9
558	A	29.6	Very low	27.4	Very low	72 Å²	72	128.2 Å²	128.2	60%	0.595	79%	0.789	S	S	*	*			cis	-179.4	175.1	-18.5	0	0	0	0	0	108
559	D	25.4	Very low	27.3	Very low	168 Å²	168	127.6 Å²	127.6	90%	0.898	79%	0.791	S	S	*	*			trans	86.6	128.8	165.3	-59.8	-15.2	0	0	0	118
560	G	26.1	Very low	27.3	Very low	74 Å²	74	131.5 Å²	131.5	76%	0.763	80%	0.802	S	S	*	*			cis	141.9	126.6	4.1	0	0	0	0	0	110.3
561	A	26.9	Very low	27.3	Very low	111 Å²	111	134.8 Å²	134.8	92%	0.917	81%	0.805	S	S	*	*			trans	172.3	126	141.6	0	0	0	0	0	111.8
562	A	26.6	Very low	27.1	Very low	92 Å²	92	135.5 Å²	135.5	76%	0.76	81%	0.812	S	S	*	*			trans	-99.7	161.9	176.1	0	0	0	0	0	111.5
563	T	26.5	Very low	27.2	Very low	149 Å²	149	136.8 Å²	136.8	91%	0.914	81%	0.812	S	S	*	*			trans	-153.6	126.4	143.8	-22.8	0	0	0	0	111.6
564	Q	25.4	Very low	27.1	Very low	190 Å²	190	142.4 Å²	142.4	89%	0.888	83%	0.825	S	S	*	*			trans	-94.6	155.2	170	-76.9	173.5	-24.3	0	0	110.7
565	A	26.2	Very low	27.2	Very low	89 Å²	89	141.8 Å²	141.8	74%	0.736	83%	0.827	S	S	*	*			trans	179.4	108.8	139.8	0	0	0	0	0	108.1
566	N	25.4	Very low	27.3	Very low	166 Å²	166	140.7 Å²	140.7	89%	0.888	83%	0.83	S	S	*	*				96.8	125.2	87.6	-90.4	-10.8	0	0	0	113.9
567	I	29.7	Very low	27.1	Very low	153 Å²	153	141.4 Å²	141.4	79%	0.785	84%	0.836	S	S	*	*			trans	-85.6	156.8	172.9	-60.4	161.5	0	0	0	108.6
568	P	36	Very low	27.2	Very low	123 Å²	123	141.4 Å²	141.4	80%	0.799	84%	0.836	S	S	*	*				-137.5	147.4	118.8	27.3	-9.4	0	0	0	114.8
569	D	26.9	Very low	27	Very low	153 Å²	153	145 Å²	145	82%	0.818	85%	0.845	S	S	*	*			trans	-64	147.5	164	-107	-41.6	0	0	0	112.1
570	E	27	Very low	27	Very low	195 Å²	195	145.8 Å²	145.8	91%	0.911	85%	0.845	S	S	*	*			trans	-152.4	129.3	147.3	-129.2	178.3	-177.7	0	0	111.8
571	K	26.5	Very low	27.1	Very low	204 Å²	204	146.6 Å²	146.6	89%	0.887	85%	0.845	S	S	*	*			trans	-88.8	145.9	171.2	-83.2	178.8	170.2	-178.2	0	110.1
572	A	26.7	Very low	27.2	Very low	105 Å²	105	147.3 Å²	147.3	87%	0.868	84%	0.84	S	S	*	*			trans	-159.8	137.7	142.8	0	0	0	0	0	111.7
573	E	26.3	Very low	27.2	Very low	189 Å²	189	151.7 Å²	151.7	88%	0.883	85%	0.849	S	S	*	*			trans	-76.3	154.8	173.5	-63	165	143.9	0	0	111.5
574	E	27.7	Very low	27.2	Very low	199 Å²	199	153.6 Å²	153.6	93%	0.93	85%	0.845	S	S	*	*				-178.3	146.7	121.5	-110.6	-178.1	164.3	0	0	113.4
575	D	25.6	Very low	27.2	Very low	160 Å²	160	153.4 Å²	153.4	86%	0.856	84%	0.844	S	S	*	*			trans	-58.5	150.5	177.4	-79.5	-48.1	0	0	0	115.4
576	A	28.7	Very low	27.2	Very low	95 Å²	95	154 Å²	154	79%	0.785	85%	0.849	S	S	*	*			trans	-165.1	103.6	135.8	0	0	0	0	0	111.7
577	S	23.3	Very low	27.3	Very low	115 Å²	115	154 Å²	154	80%	0.804	85%	0.849	S	S	*	*			trans	-64	129.1	157.5	48.9	0	0	0	0	111.8
578	I	29.4	Very low	27.1	Very low	168 Å²	168	154.8 Å²	154.8	86%	0.862	85%	0.852	S	S	*	*			trans	-138.7	123.9	151.7	-60.2	-176.7	0	0	0	109.9
579	D	24.6	Very low	26.6	Very low	148 Å²	148	153.3 Å²	153.3	79%	0.791	85%	0.85	S	S	*	*			trans	-80.5	139.3	175.4	-148.8	-8.1	0	0	0	110.5
580	M	26.5	Very low	26.6	Very low	184 Å²	184	151.5 Å²	151.5	91%	0.906	85%	0.849	S	S	*	*			trans	172.3	108.4	139.8	-99.9	-170.5	-173.6	0	0	113.6
581	A	28.1	Very low	26.5	Very low	91 Å²	91	151.1 Å²	151.1	75%	0.752	85%	0.847	S	S	*	*				52.8	146	128.9	0	0	0	0	0	123.2
582	P	28.1	Very low	26.6	Very low	126 Å²	126	150.9 Å²	150.9	82%	0.818	85%	0.85	S	S	*	*			trans	-94.3	146.3	-167	37.6	-31.9	0	0	0	113.6
583	L	26.3	Very low	26.6	Very low	183 Å²	183	150.4 Å²	150.4	96%	0.958	85%	0.846	S	S	*	*			trans	-114.9	130.8	167.9	-87	159	0	0	0	111.1
584	K	26.3	Very low	26.5	Very low	189 Å²	189	146.3 Å²	146.3	82%	0.822	84%	0.844	S	S	*	*			trans	-73	147	-175.1	-71.2	174.9	171.7	-179.3	0	113.1
585	E	26.3	Very low	26.5	Very low	186 Å²	186	142 Å²	142	87%	0.869	84%	0.843	S	S	*	*			trans	38.6	123.6	142.4	-65.2	179.2	150.2	0	0	120.8
586	A	26.5	Very low	26.5	Very low	102 Å²	102	142 Å²	142	84%	0.843	84%	0.843	S	S	*	*				-156.3	117.3	129.3	0	0	0	0	0	110.5
587	N	26.1	Very low	26.7	Very low	165 Å²	165	149.5 Å²	149.5	88%	0.882	85%	0.851	S	S	*	*			trans	-85.8	121.7	175.7	-156.1	5.9	0	0	0	107.8
588	M	25.8	Very low	26.9	Very low	170 Å²	170	151 Å²	151	84%	0.837	85%	0.849	S	S	*	*			trans	-128.6	103.5	169	-83.7	-165.8	73.5	0	0	110.2
589	A	25.8	Very low	26.9	Very low	92 Å²	92	148.8 Å²	148.8	76%	0.76	84%	0.844	S	S	*	*			trans	-80.1	129.1	161.8	0	0	0	0	0	108.9
590	S	27.9	Very low	27.2	Very low	115 Å²	115	147.6 Å²	147.6	80%	0.804	85%	0.847	S	S	*	*			trans	-104.1	99.9	170.3	-49.3	0	0	0	0	108.5
591	Q	24.8	Very low	27.4	Very low	187 Å²	187	148.1 Å²	148.1	87%	0.874	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-77.4	126.1	157.4	-73.9	173.6	-17.5	0	0	107.6
592	E	27	Very low	27.6	Very low	200 Å²	200	153.4 Å²	153.4	94%	0.935	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-101.1	116.7	159.7	-87.1	-173.8	158	0	0	109
593	A	26.8	Very low	27.7	Very low	95 Å²	95	151.5 Å²	151.5	79%	0.785	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-88.3	147.9	-178.4	0	0	0	0	0	111.2
594	A	25.1	Very low	27.8	Very low	103 Å²	103	151.2 Å²	151.2	85%	0.851	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-55.1	138.1	165.9	0	0	0	0	0	111.9
595	A	28.5	Very low	28.2	Very low	109 Å²	109	151.2 Å²	151.2	90%	0.901	85%	0.853	S	S	*	*			trans	-111.2	106.5	166.8	0	0	0	0	0	109
596	D	25.5	Very low	28.5	Very low	160 Å²	160	149 Å²	149	86%	0.856	85%	0.852	S	S	*	*			trans	-114	121.3	165.3	-149.3	4.9	0	0	0	105
597	R	31	Very low	28.9	Very low	252 Å²	252	149 Å²	149	95%	0.951	85%	0.852	S	S	*	*			trans	-148.5	119.3	169.4	-95.7	-168.5	178	177.2	-0.8	110.8
598	D	28.1	Very low	29.3	Very low	146 Å²	146	145.8 Å²	145.8	78%	0.781	85%	0.849	S	S	*	*			trans	-112.6	152.8	172.3	-149.7	-6.7	0	0	0	109.3
599	T	30.8	Very low	30.5	Very low	122 Å²	122	147.3 Å²	147.3	75%	0.748	87%	0.871	S	S	*	*			trans	70.5	118	160.9	60.7	0	0	0	0	122.4
600	S	29.2	Very low	30.7	Very low	123 Å²	123	150.1 Å²	150.1	86%	0.86	88%	0.877	S	S	*	*				-170.1	117.1	114.7	57.7	0	0	0	0	111.5
601	E	32.2	Very low	30.9	Very low	195 Å²	195	151.9 Å²	151.9	91%	0.911	88%	0.881	S	S	*	*			trans	-76	144.7	162.4	-75	174.9	122.7	0	0	110.6
602	E	30.5	Very low	31.2	Very low	202 Å²	202	150 Å²	150	94%	0.944	88%	0.881	S	S	*	*			trans	-161.3	152.4	135.7	-118.7	-175.4	168.2	0	0	111.9
603	A	32.1	Very low	31.5	Very low	86 Å²	86	147.1 Å²	147.1	71%	0.711	88%	0.878	S	S	*	*			trans	-86.5	159.5	-157.1	0	0	0	0	0	115.5
604	L	28.4	Very low	31.7	Very low	177 Å²	177	150.3 Å²	150.3	93%	0.927	88%	0.884	S	S	*	*			trans	-152.7	123	141.9	-117.7	121.4	0	0	0	111.5
605	Q	33	Very low	32.2	Very low	189 Å²	189	153.5 Å²	153.5	88%	0.883	89%	0.886	S	S	*	*			trans	-115.1	123.3	-175.9	-157.3	156.5	13.2	0	0	107.4
606	T	32.5	Very low	32.4	Very low	139 Å²	139	156.6 Å²	156.6	85%	0.853	89%	0.885	S	S	*	*			trans	-99.7	123.8	177.4	46.5	0	0	0	0	110.3
607	A	36.3	Very low	33	Very low	101 Å²	101	156.4 Å²	156.4	84%	0.835	89%	0.887	S	S	*	*			trans	-142.9	128.1	163.8	0	0	0	0	0	109.7
608	A	34.8	Very low	33.1	Very low	99 Å²	99	148.4 Å²	148.4	82%	0.818	88%	0.882	S	S	*	*			trans	-175.9	154.7	149.4	0	0	0	0	0	108.5
609	P	49.9	Very low	33.6	Very low	202 Å²	202	148.6 Å²	148.6	100%	1.312	89%	0.891	S	S	*	*			cis	-107.4	0	1.1	35.9	-24.6	0	0	0	114.9

Retrieved 609 of 609 residues in 279.9 ms (Link to these results)

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