A0A096MSQ4_PAPAN Loading...

DnaJ homolog subfamily B member 13

Functions as part of axonemal radial spoke complexes that play an important part in the motility of sperm and cilia.

AlphaFold DB (A0A2K5YMB5), UniProt , Accession A0A096MSQ4, Species PAPAN (Papio anubis, Olive baboon), Gene DNAJB13, Length 316 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	52.4	Low	82.6	Confident	237 Å²	237	60 Å²	60	100%	1.167	33%	0.332	S	S	*	.				0	119.5	0	-75.2	-172.7	179.6	0	0	106.5
2	G	63.5	Low	83.3	Confident	42 Å²	42	62.9 Å²	62.9	43%	0.433	35%	0.353	S	S	.	.			trans	-65.3	151.5	178.6	0	0	0	0	0	112.4	E69	G2-E69 WeakPolarHBondContact CA-OE2 3.34Å
3	Q	73.5	Confident	83.5	Confident	69 Å²	69	70.7 Å²	70.7	32%	0.322	37%	0.373	S	S	.	.			trans	-65	133.7	171.4	-80.6	-178.6	-10.3	0	0	110.5	Y5 Y64 E69	Q3-Y5 PolarHBondContact O-N 2.61Å; Q3-Y64 PolarHBondContact O-OH 2.81Å; Q3-E69 PolarHBondContact N-OE2 3.45Å
4	D	88.7	Confident	83.8	Confident	49 Å²	49	76.6 Å²	76.6	26%	0.262	41%	0.405	S	S	.	.			trans	-85.7	101.3	171.6	-176.6	11.3	0	0	0	109.8	Y6 S7 V8 Y64	D4-Y6 PolarHBondContact O-N 2.96Å; D4-Y6 PolarHBondContact OD1-N 2.78Å; D4-S7 WeakPolarHBondContact O-CB 3.38Å; D4-S7 PolarHBondContact O-N 3.39Å; D4-S7 PolarHBondContact OD2-OG 3.43Å; D4-V8 WeakPolarHBondContact O-CG2 3.25Å; D4-V8 PolarHBondContact O-N 3Å; D4-Y64 VanDerWaalsContact CA-OH 3.26Å; D4-Y64 WeakPolarHBondContact CA-OH 3.44Å
5	Y	89.5	Confident	84.1	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-61.4	-29.2	-177.1	-66.8	-43.2	0	0	0	112.4	Q3 V8 L9 E50 A51 V54 Y64 L72	Q3-Y5 PolarHBondContact O-N 2.61Å; Y5-V8 PolarHBondContact O-N 3.18Å; Y5-L9 PolarHBondContact O-N 3.25Å; Y5-L9 VanDerWaalsContact O-N 3.11Å; Y5-E50 HydrophobicContact CE1-CG 3.96Å; Y5-E50 PolarHBondContact OH-OE1 3.33Å; Y5-A51 HydrophobicContact CD1-CB 3.68Å; Y5-A51 HydrophobicContact CG-CB 4.06Å; Y5-V54 HydrophobicContact CD2-CB 4.12Å; Y5-V54 HydrophobicContact CD2-CG1 3.87Å; Y5-V54 HydrophobicContact CD2-CG2 4.41Å; Y5-V54 HydrophobicContact CE2-CB 4.07Å; Y5-V54 HydrophobicContact CE2-CG1 3.89Å; Y5-V54 HydrophobicContact CE2-CG2 3.87Å; Y5-Y64 HydrophobicContact CD2-CD1 4.13Å; Y5-Y64 AromaticContact CD2-CD2 3.55Å; Y5-Y64 HydrophobicContact CD2-CD2 3.55Å; Y5-Y64 AromaticContact CD2-CE1 3.85Å; Y5-Y64 HydrophobicContact CD2-CE1 3.85Å; Y5-Y64 AromaticContact CD2-CE2 3.24Å; Y5-Y64 HydrophobicContact CD2-CE2 3.24Å; Y5-Y64 AromaticContact CD2-CG 3.98Å; Y5-Y64 HydrophobicContact CD2-CG 3.98Å; Y5-Y64 AromaticContact CD2-CZ 3.39Å; Y5-Y64 AromaticContact CE2-CD2 3.67Å; Y5-Y64 HydrophobicContact CE2-CD2 3.67Å; Y5-Y64 AromaticContact CE2-CE2 3.52Å; Y5-Y64 HydrophobicContact CE2-CE2 3.52Å; Y5-Y64 HydrophobicContact CE2-CG 4.4Å; Y5-Y64 HydrophobicContact CG-CE1 4.38Å; Y5-Y64 HydrophobicContact CG-CE2 4.15Å; Y5-Y64 AromaticContact CG-CZ 3.94Å; Y5-Y64 PolarHBondContact N-OH 3.32Å; Y5-L72 HydrophobicContact CE2-CD2 3.88Å
6	Y	91	Very high	84.3	Confident	3 Å²	3	76.1 Å²	76.1	1%	0.012	40%	0.397	C	S	.	.	H	α-helix	trans	-69	-41.4	174	-66.5	-78.4	0	0	0	111.5	D4 L9 Q10 I11 T12 R13 L55 R61 Y64 D65	D4-Y6 PolarHBondContact O-N 2.96Å; D4-Y6 PolarHBondContact OD1-N 2.78Å; Y6-L9 CarbonylContact O-C 3.59Å; Y6-L9 PolarHBondContact O-N 2.68Å; Y6-Q10 PolarHBondContact O-N 3.04Å; Y6-I11 CarbonylContact C-O 3.57Å; Y6-I11 HydrophobicContact CD1-CD1 4.02Å; Y6-I11 HydrophobicContact CD1-CG1 4.07Å; Y6-I11 WeakPolarHBondContact O-CG1 3.38Å; Y6-I11 PolarHBondContact O-N 3.27Å; Y6-T12 WeakPolarHBondContact CD1-O 3.48Å; Y6-R13 HydrophobicContact CD2-CB 4.42Å; Y6-R13 HydrophobicContact CD2-CG 3.69Å; Y6-R13 HydrophobicContact CE2-CB 4.33Å; Y6-R13 HydrophobicContact CE2-CG 3.96Å; Y6-R13 HydrophobicContact CG-CG 3.99Å; Y6-L55 HydrophobicContact CD1-CD1 4.05Å; Y6-L55 HydrophobicContact CD1-CD2 4.47Å; Y6-L55 HydrophobicContact CE1-CD1 4.15Å; Y6-L55 HydrophobicContact CE1-CD2 3.86Å; Y6-L55 HydrophobicContact CE2-CD2 3.93Å; Y6-L55 HydrophobicContact CG-CD1 4.39Å; Y6-R61 PolarHBondContact OH-NE 2.81Å; Y6-R61 VanDerWaalsContact OH-NE 3.08Å; Y6-Y64 AromaticContact CD2-CE1 3.92Å; Y6-Y64 HydrophobicContact CD2-CE1 3.92Å; Y6-Y64 HydrophobicContact CE2-CD1 4.04Å; Y6-Y64 AromaticContact CE2-CE1 3.77Å; Y6-Y64 HydrophobicContact CE2-CE1 3.77Å; Y6-D65 VanDerWaalsContact CE2-OD1 3.26Å; Y6-D65 WeakPolarHBondContact CE2-OD1 3.23Å; Y6-D65 VanDerWaalsContact OH-CG 3.29Å; Y6-D65 PolarHBondContact OH-OD1 3.14Å; Y6-D65 PolarHBondContact OH-OD2 3.21Å
7	S	90.4	Very high	84.4	Confident	78 Å²	78	75.5 Å²	75.5	55%	0.545	40%	0.395	S	S	.	.	H	α-helix	trans	-65.9	-37.8	174.7	-68	0	0	0	0	112	D4 Q10	D4-S7 WeakPolarHBondContact O-CB 3.38Å; D4-S7 PolarHBondContact O-N 3.39Å; D4-S7 PolarHBondContact OD2-OG 3.43Å; S7-Q10 PolarHBondContact O-N 3.03Å; S7-Q10 VanDerWaalsContact O-N 3.09Å
8	V	89.9	Confident	84.2	Confident	32 Å²	32	73.6 Å²	73.6	19%	0.194	39%	0.392	C	S	.	.	H	α-helix	trans	-61.2	-43.6	175	173.2	0	0	0	0	111.4	D4 Y5 Q10 Q47 I48 A51	D4-V8 WeakPolarHBondContact O-CG2 3.25Å; D4-V8 PolarHBondContact O-N 3Å; Y5-V8 PolarHBondContact O-N 3.18Å; V8-Q10 PolarHBondContact O-N 2.83Å; V8-Q47 HydrophobicContact CG1-CB 4.12Å; V8-I48 HydrophobicContact CG1-CG1 4.26Å; V8-A51 HydrophobicContact CB-CB 4.16Å; V8-A51 HydrophobicContact CG1-CB 3.93Å
9	L	88.6	Confident	84.3	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-1.7	175.7	-67.8	-175.1	0	0	0	113.8	Y5 Y6 I11 I20 A23 Y24 L27 I48 A51 L55	Y5-L9 PolarHBondContact O-N 3.25Å; Y5-L9 VanDerWaalsContact O-N 3.11Å; Y6-L9 CarbonylContact O-C 3.59Å; Y6-L9 PolarHBondContact O-N 2.68Å; L9-I11 VanDerWaalsContact C-N 3.33Å; L9-I11 HydrophobicContact CB-CD1 3.96Å; L9-I11 HydrophobicContact CB-CG1 3.82Å; L9-I11 HydrophobicContact CD1-CD1 4.18Å; L9-I11 PolarHBondContact O-N 3.31Å; L9-I20 HydrophobicContact CD1-CG2 3.98Å; L9-A23 HydrophobicContact CB-CB 4.43Å; L9-A23 WeakPolarHBondContact O-CB 3.36Å; L9-Y24 HydrophobicContact CD2-CD2 4.41Å; L9-L27 HydrophobicContact CD2-CD1 4.34Å; L9-L27 WeakPolarHBondContact O-CD1 3.4Å; L9-I48 HydrophobicContact CD2-CG2 3.94Å; L9-A51 HydrophobicContact CD1-CB 4.37Å; L9-A51 HydrophobicContact CD2-CB 4.27Å; L9-A51 HydrophobicContact CG-CB 3.92Å; L9-L55 HydrophobicContact CD1-CD1 3.81Å
10	Q	89.6	Confident	84.4	Confident	120 Å²	120	70.8 Å²	70.8	56%	0.561	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	41.9	-177.4	-54.7	174.9	-1.3	0	0	113	Y6 S7 V8 L27	Y6-Q10 PolarHBondContact O-N 3.04Å; S7-Q10 PolarHBondContact O-N 3.03Å; S7-Q10 VanDerWaalsContact O-N 3.09Å; V8-Q10 PolarHBondContact O-N 2.83Å; Q10-L27 HydrophobicContact CG-CD1 4.4Å
11	I	91.3	Very high	84.5	Confident	30 Å²	30	69.2 Å²	69.2	15%	0.154	36%	0.364	C	S	.	.			trans	-129.2	169	-178.7	58	171.2	0	0	0	111.1	Y6 L9 I20 A23 L55	Y6-I11 CarbonylContact C-O 3.57Å; Y6-I11 HydrophobicContact CD1-CD1 4.02Å; Y6-I11 HydrophobicContact CD1-CG1 4.07Å; Y6-I11 WeakPolarHBondContact O-CG1 3.38Å; Y6-I11 PolarHBondContact O-N 3.27Å; L9-I11 VanDerWaalsContact C-N 3.33Å; L9-I11 HydrophobicContact CB-CD1 3.96Å; L9-I11 HydrophobicContact CB-CG1 3.82Å; L9-I11 HydrophobicContact CD1-CD1 4.18Å; L9-I11 PolarHBondContact O-N 3.31Å; I11-I20 HydrophobicContact CD1-CB 4.32Å; I11-I20 HydrophobicContact CD1-CG1 3.54Å; I11-A23 HydrophobicContact CG2-CB 3.46Å; I11-A23 VanDerWaalsContact CG2-CB 3.46Å; I11-L55 HydrophobicContact CD1-CD1 4.47Å
12	T	90.6	Very high	85.9	Confident	95 Å²	95	61.4 Å²	61.4	58%	0.583	33%	0.325	S	S	*	.			trans	-92.1	159.4	177.5	72.7	0	0	0	0	111.6	Y6 N14 S15	Y6-T12 WeakPolarHBondContact CD1-O 3.48Å; T12-N14 PolarHBondContact O-N 3.39Å; T12-S15 PolarHBondContact N-OG 3.01Å; T12-S15 VanDerWaalsContact N-OG 3.12Å; T12-S15 VanDerWaalsContact O-CB 3.28Å; T12-S15 WeakPolarHBondContact O-CB 3.43Å; T12-S15 PolarHBondContact O-N 2.99Å; T12-S15 VanDerWaalsContact O-N 3.08Å; T12-S15 PolarHBondContact O-OG 2.74Å; T12-S15 PolarHBondContact OG1-OG 2.85Å
13	R	86.9	Confident	87	Confident	164 Å²	164	59.8 Å²	59.8	62%	0.619	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-26.5	178.2	-64	-170.7	177.2	-176.3	-1.6	114	Y6 S15 R61	Y6-R13 HydrophobicContact CD2-CB 4.42Å; Y6-R13 HydrophobicContact CD2-CG 3.69Å; Y6-R13 HydrophobicContact CE2-CB 4.33Å; Y6-R13 HydrophobicContact CE2-CG 3.96Å; Y6-R13 HydrophobicContact CG-CG 3.99Å; R13-S15 VanDerWaalsContact C-N 3.26Å; R13-S15 PolarHBondContact O-N 2.8Å; R13-R61 PolarHBondContact O-NH2 3.04Å; R13-R61 VanDerWaalsContact O-NH2 3.14Å
14	N	86.8	Confident	87.7	Confident	153 Å²	153	56.5 Å²	56.5	82%	0.818	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	9.2	178.7	-69.4	-2.3	0	0	0	113.5	T12	T12-N14 PolarHBondContact O-N 3.39Å
15	S	87.9	Confident	87.4	Confident	5 Å²	5	55.2 Å²	55.2	4%	0.035	28%	0.283	C	S	.	.			trans	-69.3	138.8	-174.6	-53.7	0	0	0	0	111.9	T12 R13 Q19 R61	T12-S15 PolarHBondContact N-OG 3.01Å; T12-S15 VanDerWaalsContact N-OG 3.12Å; T12-S15 VanDerWaalsContact O-CB 3.28Å; T12-S15 WeakPolarHBondContact O-CB 3.43Å; T12-S15 PolarHBondContact O-N 2.99Å; T12-S15 VanDerWaalsContact O-N 3.08Å; T12-S15 PolarHBondContact O-OG 2.74Å; T12-S15 PolarHBondContact OG1-OG 2.85Å; R13-S15 VanDerWaalsContact C-N 3.26Å; R13-S15 PolarHBondContact O-N 2.8Å; S15-Q19 VanDerWaalsContact CB-OE1 3.31Å; S15-R61 PolarHBondContact O-NH1 3.36Å; S15-R61 VanDerWaalsContact O-NH1 3.13Å; S15-R61 PolarHBondContact O-NH2 2.87Å
16	E	88.3	Confident	87.1	Confident	140 Å²	140	59.5 Å²	59.5	65%	0.654	30%	0.299	S	S	*	.			trans	-73.1	161.8	175.1	-65	-176	174.5	0	0	111.4	A18 Q19 I20	E16-A18 PolarHBondContact O-N 2.8Å; E16-Q19 VanDerWaalsContact N-OE1 3.16Å; E16-Q19 WeakPolarHBondContact O-CB 3.24Å; E16-Q19 PolarHBondContact O-N 2.87Å; E16-I20 PolarHBondContact O-N 3.22Å; E16-I20 VanDerWaalsContact O-N 3.09Å
17	D	84.9	Confident	86.9	Confident	67 Å²	67	59.5 Å²	59.5	36%	0.358	30%	0.3	S	S	.	.	H	α-helix	trans	-53.8	-40.8	178.7	-178.5	62.8	0	0	0	112.5	Q19 I20 K21	D17-Q19 VanDerWaalsContact C-N 3.31Å; D17-Q19 PolarHBondContact O-N 2.99Å; D17-I20 PolarHBondContact O-N 3.03Å; D17-K21 WeakPolarHBondContact O-CG 3.37Å; D17-K21 PolarHBondContact O-N 3.4Å; D17-K21 WeakPolarHBondContact OD2-CE 3.18Å; D17-K21 IonicContact OD2-NZ 3.36Å; D17-K21 PolarHBondContact OD2-NZ 3.37Å
18	A	82.3	Confident	86.7	Confident	41 Å²	41	55.8 Å²	55.8	34%	0.339	27%	0.274	S	S	.	.	H	α-helix	trans	-59.7	-39.7	176.6	0	0	0	0	0	112.6	E16 Q22 Y171	E16-A18 PolarHBondContact O-N 2.8Å; A18-Q22 VanDerWaalsContact O-CB 3.24Å; A18-Q22 WeakPolarHBondContact O-CB 3.48Å; A18-Q22 PolarHBondContact O-N 2.9Å; A18-Y171 HydrophobicContact CB-CE2 4.32Å
19	Q	84.6	Confident	86.2	Confident	91 Å²	91	54.8 Å²	54.8	43%	0.425	27%	0.267	S	S	.	.	H	α-helix	trans	-71.2	-37.2	178.6	-67.8	175.8	-24.8	0	0	111.7	S15 E16 D17 Q22 A23	S15-Q19 VanDerWaalsContact CB-OE1 3.31Å; E16-Q19 VanDerWaalsContact N-OE1 3.16Å; E16-Q19 WeakPolarHBondContact O-CB 3.24Å; E16-Q19 PolarHBondContact O-N 2.87Å; D17-Q19 VanDerWaalsContact C-N 3.31Å; D17-Q19 PolarHBondContact O-N 2.99Å; Q19-Q22 PolarHBondContact O-N 3.01Å; Q19-A23 VanDerWaalsContact O-CB 3.25Å; Q19-A23 WeakPolarHBondContact O-CB 2.81Å; Q19-A23 PolarHBondContact O-N 3.31Å
20	I	88.1	Confident	85.9	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.8	-49.5	174.1	-66.6	163.7	0	0	0	110.1	L9 I11 E16 D17 Q22 A23 Y24 F52 L55	L9-I20 HydrophobicContact CD1-CG2 3.98Å; I11-I20 HydrophobicContact CD1-CB 4.32Å; I11-I20 HydrophobicContact CD1-CG1 3.54Å; E16-I20 PolarHBondContact O-N 3.22Å; E16-I20 VanDerWaalsContact O-N 3.09Å; D17-I20 PolarHBondContact O-N 3.03Å; I20-Q22 PolarHBondContact O-N 3.18Å; I20-A23 PolarHBondContact O-N 2.49Å; I20-Y24 WeakPolarHBondContact O-CB 3.2Å; I20-Y24 PolarHBondContact O-N 2.95Å; I20-F52 HydrophobicContact CG2-CD2 3.95Å; I20-F52 HydrophobicContact CG2-CE2 4.19Å; I20-L55 HydrophobicContact CD1-CB 4.3Å; I20-L55 HydrophobicContact CG2-CB 4.01Å
21	K	85.5	Confident	85.6	Confident	38 Å²	38	55.9 Å²	55.9	17%	0.165	27%	0.27	C	S	.	.	H	α-helix	trans	-62.6	-41.8	177.3	-70.1	175.6	173.8	168.8	0	112.3	D17 R25 F52 F103 D169	D17-K21 WeakPolarHBondContact O-CG 3.37Å; D17-K21 PolarHBondContact O-N 3.4Å; D17-K21 WeakPolarHBondContact OD2-CE 3.18Å; D17-K21 IonicContact OD2-NZ 3.36Å; D17-K21 PolarHBondContact OD2-NZ 3.37Å; K21-R25 WeakPolarHBondContact O-CB 3.47Å; K21-R25 PolarHBondContact O-N 2.99Å; K21-F52 HydrophobicContact CB-CE2 4.49Å; K21-F52 HydrophobicContact CG-CE2 3.88Å; K21-F52 HydrophobicContact CG-CZ 4.19Å; K21-F103 HydrophobicContact CB-CE2 3.97Å; K21-F103 HydrophobicContact CB-CZ 4.24Å; K21-F103 HydrophobicContact CG-CE2 4.05Å; K21-F103 WeakPolarHBondContact O-CZ 3.45Å; K21-D169 WeakPolarHBondContact CD-OD2 3.4Å; K21-D169 IonicContact NZ-OD2 3.07Å; K21-D169 PolarHBondContact NZ-OD2 2.83Å
22	Q	82.2	Confident	85.2	Confident	72 Å²	72	55.3 Å²	55.3	34%	0.336	27%	0.267	S	S	.	.	H	α-helix	trans	-62.7	-43.7	176.2	-174.9	-179.4	27.4	0	0	111.8	A18 Q19 I20 R26 Y171	A18-Q22 VanDerWaalsContact O-CB 3.24Å; A18-Q22 WeakPolarHBondContact O-CB 3.48Å; A18-Q22 PolarHBondContact O-N 2.9Å; Q19-Q22 PolarHBondContact O-N 3.01Å; I20-Q22 PolarHBondContact O-N 3.18Å; Q22-R26 PolarHBondContact O-N 2.87Å; Q22-R26 VanDerWaalsContact O-N 3.12Å; Q22-Y171 HydrophobicContact CB-CD1 4.24Å; Q22-Y171 HydrophobicContact CB-CE1 3.86Å; Q22-Y171 HydrophobicContact CG-CE1 3.88Å
23	A	85.8	Confident	84.8	Confident	8 Å²	8	54 Å²	54	7%	0.066	26%	0.26	C	S	.	.	H	α-helix	trans	-66.6	-47	178.7	0	0	0	0	0	112	L9 I11 Q19 I20 R25 R26 L27	L9-A23 HydrophobicContact CB-CB 4.43Å; L9-A23 WeakPolarHBondContact O-CB 3.36Å; I11-A23 HydrophobicContact CG2-CB 3.46Å; I11-A23 VanDerWaalsContact CG2-CB 3.46Å; Q19-A23 VanDerWaalsContact O-CB 3.25Å; Q19-A23 WeakPolarHBondContact O-CB 2.81Å; Q19-A23 PolarHBondContact O-N 3.31Å; I20-A23 PolarHBondContact O-N 2.49Å; A23-R25 PolarHBondContact O-N 2.96Å; A23-R26 PolarHBondContact O-N 3.34Å; A23-L27 WeakPolarHBondContact O-CB 3.47Å; A23-L27 WeakPolarHBondContact O-CG 3.48Å; A23-L27 PolarHBondContact O-N 2.71Å
24	Y	88.4	Confident	84.2	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-57.4	-50.3	174.3	175.5	-108.5	0	0	0	111.2	L9 I20 R26 L27 A28 I48 F52 V99 F100 F103	L9-Y24 HydrophobicContact CD2-CD2 4.41Å; I20-Y24 WeakPolarHBondContact O-CB 3.2Å; I20-Y24 PolarHBondContact O-N 2.95Å; Y24-R26 VanDerWaalsContact C-N 3.3Å; Y24-R26 PolarHBondContact O-N 3.17Å; Y24-L27 PolarHBondContact O-N 3.4Å; Y24-A28 HydrophobicContact CD2-CB 4.32Å; Y24-A28 HydrophobicContact CE1-CB 4.25Å; Y24-A28 HydrophobicContact CE2-CB 4.01Å; Y24-A28 WeakPolarHBondContact O-CB 3.5Å; Y24-A28 PolarHBondContact O-N 2.97Å; Y24-I48 HydrophobicContact CD2-CG2 3.45Å; Y24-I48 VanDerWaalsContact CD2-CG2 3.45Å; Y24-I48 HydrophobicContact CE2-CG2 3.68Å; Y24-F52 HydrophobicContact CD1-CB 4.31Å; Y24-F52 AromaticContact CD1-CD1 3.7Å; Y24-F52 HydrophobicContact CD1-CD1 3.7Å; Y24-F52 AromaticContact CD1-CD2 3.86Å; Y24-F52 HydrophobicContact CD1-CD2 3.86Å; Y24-F52 AromaticContact CD1-CE1 3.94Å; Y24-F52 HydrophobicContact CD1-CE1 3.94Å; Y24-F52 HydrophobicContact CD1-CE2 4.09Å; Y24-F52 AromaticContact CD1-CG 3.66Å; Y24-F52 HydrophobicContact CD1-CG 3.66Å; Y24-F52 HydrophobicContact CD1-CZ 4.14Å; Y24-F52 HydrophobicContact CD2-CB 3.2Å; Y24-F52 HydrophobicContact CD2-CD1 4.08Å; Y24-F52 HydrophobicContact CD2-CD2 4.06Å; Y24-F52 AromaticContact CD2-CG 3.51Å; Y24-F52 HydrophobicContact CD2-CG 3.51Å; Y24-F52 AromaticContact CE1-CD1 3.75Å; Y24-F52 HydrophobicContact CE1-CD1 3.75Å; Y24-F52 HydrophobicContact CE1-CE1 4.06Å; Y24-F52 HydrophobicContact CE1-CG 4.11Å; Y24-F52 HydrophobicContact CE2-CB 3.61Å; Y24-F52 HydrophobicContact CE2-CD1 4.12Å; Y24-F52 AromaticContact CE2-CG 3.97Å; Y24-F52 HydrophobicContact CE2-CG 3.97Å; Y24-F52 HydrophobicContact CG-CB 3.59Å; Y24-F52 AromaticContact CG-CD1 3.87Å; Y24-F52 HydrophobicContact CG-CD1 3.87Å; Y24-F52 AromaticContact CG-CD2 3.48Å; Y24-F52 HydrophobicContact CG-CD2 3.48Å; Y24-F52 VanDerWaalsContact CG-CD2 3.48Å; Y24-F52 HydrophobicContact CG-CE1 4.46Å; Y24-F52 HydrophobicContact CG-CE2 4.12Å; Y24-F52 AromaticContact CG-CG 3.33Å; Y24-F52 HydrophobicContact CG-CG 3.33Å; Y24-F52 AromaticContact CZ-CD1 3.96Å; Y24-V99 WeakPolarHBondContact OH-CG1 3.4Å; Y24-F100 PolarHBondContact OH-N 2.79Å; Y24-F103 HydrophobicContact CD1-CB 4.41Å; Y24-F103 HydrophobicContact CD1-CD1 4.01Å; Y24-F103 AromaticContact CD1-CD2 3.72Å; Y24-F103 HydrophobicContact CD1-CD2 3.72Å; Y24-F103 HydrophobicContact CD1-CE1 4.18Å; Y24-F103 AromaticContact CD1-CE2 3.88Å; Y24-F103 HydrophobicContact CD1-CE2 3.88Å; Y24-F103 AromaticContact CD1-CG 3.77Å; Y24-F103 HydrophobicContact CD1-CG 3.77Å; Y24-F103 HydrophobicContact CD1-CZ 4.12Å; Y24-F103 HydrophobicContact CE1-CB 3.74Å; Y24-F103 AromaticContact CE1-CD1 3.93Å; Y24-F103 HydrophobicContact CE1-CD1 3.93Å; Y24-F103 AromaticContact CE1-CD2 3.92Å; Y24-F103 HydrophobicContact CE1-CD2 3.92Å; Y24-F103 AromaticContact CE1-CG 3.58Å; Y24-F103 HydrophobicContact CE1-CG 3.58Å
25	R	82.6	Confident	83.5	Confident	22 Å²	22	48.7 Å²	48.7	8%	0.083	24%	0.24	C	C	.	.	H	α-helix	trans	-52	-48.4	178.1	-177.1	173.4	-175.4	175.8	8.8	112.3	K21 A23 L29 F103 F104 F113 G170 P204	K21-R25 WeakPolarHBondContact O-CB 3.47Å; K21-R25 PolarHBondContact O-N 2.99Å; A23-R25 PolarHBondContact O-N 2.96Å; R25-L29 HydrophobicContact CG-CD1 4.34Å; R25-L29 VanDerWaalsContact O-CG 3.31Å; R25-L29 WeakPolarHBondContact O-CG 3.42Å; R25-L29 PolarHBondContact O-N 2.91Å; R25-F103 HydrophobicContact CB-CE1 3.73Å; R25-F103 HydrophobicContact CB-CZ 3.86Å; R25-F103 HydrophobicContact CG-CE1 4.01Å; R25-F104 HydrophobicContact CB-CZ 4.43Å; R25-F104 HydrophobicContact CG-CE1 3.87Å; R25-F104 HydrophobicContact CG-CZ 3.91Å; R25-F113 VanDerWaalsContact NH2-CZ 3.34Å; R25-G170 PolarHBondContact NH1-O 3.28Å; R25-P204 VanDerWaalsContact NH2-CG 3.33Å
26	R	83.6	Confident	82.8	Confident	90 Å²	90	49.7 Å²	49.7	34%	0.34	25%	0.247	S	C	.	.	H	α-helix	trans	-63.2	-48.8	-179.9	-178.6	-177.3	62.6	99.5	2.1	111.9	Q22 A23 Y24 K30 F125	Q22-R26 PolarHBondContact O-N 2.87Å; Q22-R26 VanDerWaalsContact O-N 3.12Å; A23-R26 PolarHBondContact O-N 3.34Å; Y24-R26 VanDerWaalsContact C-N 3.3Å; Y24-R26 PolarHBondContact O-N 3.17Å; R26-K30 WeakPolarHBondContact O-CB 3.36Å; R26-K30 PolarHBondContact O-N 2.89Å; R26-F125 HydrophobicContact CB-CE1 4.16Å; R26-F125 HydrophobicContact CB-CZ 3.94Å; R26-F125 HydrophobicContact CG-CE1 4.24Å; R26-F125 HydrophobicContact CG-CZ 4.18Å
27	L	86.4	Confident	82.1	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.016	26%	0.258	C	S	.	.	H	α-helix	trans	-74.9	-39	-174.4	-68.5	173.3	0	0	0	112.3	L9 Q10 A23 Y24 L29 K30 H31 I48	L9-L27 HydrophobicContact CD2-CD1 4.34Å; L9-L27 WeakPolarHBondContact O-CD1 3.4Å; Q10-L27 HydrophobicContact CG-CD1 4.4Å; A23-L27 WeakPolarHBondContact O-CB 3.47Å; A23-L27 WeakPolarHBondContact O-CG 3.48Å; A23-L27 PolarHBondContact O-N 2.71Å; Y24-L27 PolarHBondContact O-N 3.4Å; L27-L29 PolarHBondContact O-N 2.92Å; L27-K30 PolarHBondContact O-N 2.89Å; L27-H31 PolarHBondContact O-N 3.3Å; L27-I48 HydrophobicContact CB-CD1 3.7Å; L27-I48 HydrophobicContact CB-CG1 4.15Å; L27-I48 HydrophobicContact CB-CG2 4.05Å
28	A	85.4	Confident	81.9	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.1	-43.3	177.2	0	0	0	0	0	111.6	Y24 H32 F45 F100 F104	Y24-A28 HydrophobicContact CD2-CB 4.32Å; Y24-A28 HydrophobicContact CE1-CB 4.25Å; Y24-A28 HydrophobicContact CE2-CB 4.01Å; Y24-A28 WeakPolarHBondContact O-CB 3.5Å; Y24-A28 PolarHBondContact O-N 2.97Å; A28-H32 WeakPolarHBondContact O-CB 3.41Å; A28-H32 PolarHBondContact O-N 2.82Å; A28-H32 VanDerWaalsContact O-N 3.16Å; A28-F45 HydrophobicContact CB-CE2 4.12Å; A28-F100 HydrophobicContact CB-CD2 4.16Å; A28-F100 HydrophobicContact CB-CE2 4.29Å; A28-F104 HydrophobicContact CB-CE2 4.24Å
29	L	79.4	Confident	81.5	Confident	12 Å²	12	57.3 Å²	57.3	6%	0.063	29%	0.289	C	S	.	.	H	α-helix	trans	-68.2	-35.2	175.2	-69.4	172.6	0	0	0	112.4	R25 L27 K35 F100 F104 P109 F110 F113	R25-L29 HydrophobicContact CG-CD1 4.34Å; R25-L29 VanDerWaalsContact O-CG 3.31Å; R25-L29 WeakPolarHBondContact O-CG 3.42Å; R25-L29 PolarHBondContact O-N 2.91Å; L27-L29 PolarHBondContact O-N 2.92Å; L29-K35 VanDerWaalsContact O-CD 3.25Å; L29-K35 WeakPolarHBondContact O-CD 3.09Å; L29-F100 HydrophobicContact CD2-CE2 4.44Å; L29-F100 HydrophobicContact CD2-CZ 4.39Å; L29-F104 HydrophobicContact CD1-CE1 4.27Å; L29-F104 HydrophobicContact CD1-CZ 4.28Å; L29-F104 HydrophobicContact CD2-CE1 4.23Å; L29-F104 HydrophobicContact CD2-CZ 4.03Å; L29-F104 HydrophobicContact CG-CE1 4.26Å; L29-F104 HydrophobicContact CG-CZ 3.87Å; L29-P109 HydrophobicContact CD2-CB 4.22Å; L29-P109 HydrophobicContact CD2-CG 3.79Å; L29-F110 HydrophobicContact CB-CE1 4.35Å; L29-F110 HydrophobicContact CD2-CD1 4.09Å; L29-F110 HydrophobicContact CD2-CE1 3.6Å; L29-F110 HydrophobicContact CD2-CZ 3.87Å; L29-F113 HydrophobicContact CD1-CD2 3.88Å; L29-F113 HydrophobicContact CD1-CE2 3.84Å; L29-F113 HydrophobicContact CD1-CG 4.33Å; L29-F113 HydrophobicContact CD1-CZ 4.24Å
30	K	83.1	Confident	81.4	Confident	112 Å²	112	56.3 Å²	56.3	49%	0.487	29%	0.292	S	S	.	.	H	α-helix	trans	-67	-42.3	-179.8	-175.3	177.7	178.9	-179.1	0	112.5	R26 L27	R26-K30 WeakPolarHBondContact O-CB 3.36Å; R26-K30 PolarHBondContact O-N 2.89Å; L27-K30 PolarHBondContact O-N 2.89Å
31	H	83.8	Confident	81.2	Confident	30 Å²	30	56.4 Å²	56.4	14%	0.139	29%	0.292	C	S	.	.	H	α-helix	trans	-103.1	8.9	-172.8	-68.8	-73.7	0	0	0	114.2	L27 I44 F45 I48	L27-H31 PolarHBondContact O-N 3.3Å; H31-I44 HydrophobicContact CB-CG2 4.15Å; H31-F45 HydrophobicContact CB-CB 4.38Å; H31-I48 HydrophobicContact CB-CD1 4.27Å
32	H	83.5	Confident	81.1	Confident	18 Å²	18	57.1 Å²	57.1	8%	0.083	31%	0.306	C	S	.	.			trans	-63.4	141.2	-179.9	-166.9	-96.3	0	0	0	112.2	A28 L34 K35 S36 F45 F100 F110	A28-H32 WeakPolarHBondContact O-CB 3.41Å; A28-H32 PolarHBondContact O-N 2.82Å; A28-H32 VanDerWaalsContact O-N 3.16Å; H32-L34 WeakPolarHBondContact ND1-CB 3.47Å; H32-L34 PolarHBondContact ND1-N 2.85Å; H32-L34 VanDerWaalsContact ND1-N 3.19Å; H32-L34 PolarHBondContact O-N 3.41Å; H32-L34 VanDerWaalsContact O-N 3.11Å; H32-K35 PolarHBondContact O-N 3.35Å; H32-S36 PolarHBondContact O-N 2.94Å; H32-F45 AromaticContact CD2-CE2 3.83Å; H32-F45 AromaticContact CD2-CZ 3.6Å; H32-F100 AromaticContact CD2-CD2 3.95Å; H32-F100 AromaticContact CD2-CE1 3.94Å; H32-F100 AromaticContact CD2-CE2 3.56Å; H32-F100 AromaticContact CD2-CZ 3.53Å; H32-F100 AromaticContact NE2-CE1 3.71Å; H32-F100 AromaticContact NE2-CZ 3.78Å; H32-F110 HydrophobicContact CB-CE1 3.83Å; H32-F110 HydrophobicContact CB-CE2 4.19Å; H32-F110 HydrophobicContact CB-CZ 3.26Å; H32-F110 AromaticContact CD2-CZ 3.8Å; H32-F110 AromaticContact CE1-CE2 3.67Å; H32-F110 AromaticContact CG-CE2 3.65Å; H32-F110 AromaticContact CG-CZ 3.2Å; H32-F110 AromaticContact ND1-CE2 3.36Å; H32-F110 WeakPolarHBondContact ND1-CE2 3.48Å; H32-F110 AromaticContact ND1-CZ 3.37Å; H32-F110 WeakPolarHBondContact ND1-CZ 3.08Å
33	P	81.7	Confident	81.3	Confident	67 Å²	67	57.2 Å²	57.2	44%	0.435	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-28.3	-178.5	-27.6	34.9	0	0	0	115.3	K35	P33-K35 VanDerWaalsContact C-N 3.31Å
34	L	73.6	Confident	81.3	Confident	130 Å²	130	59.6 Å²	59.6	68%	0.681	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-20.8	176.3	-65.7	175.4	0	0	0	113.7	H32 F110	H32-L34 WeakPolarHBondContact ND1-CB 3.47Å; H32-L34 PolarHBondContact ND1-N 2.85Å; H32-L34 VanDerWaalsContact ND1-N 3.19Å; H32-L34 PolarHBondContact O-N 3.41Å; H32-L34 VanDerWaalsContact O-N 3.11Å; L34-F110 HydrophobicContact CD1-CD2 4.39Å; L34-F110 HydrophobicContact CD1-CE2 4.37Å
35	K	72.7	Confident	81.4	Confident	77 Å²	77	59.7 Å²	59.7	34%	0.335	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-47.9	-178.2	-175.8	-173.5	177.2	-175.9	0	111.5	L29 H32 P33 F110 F114 E120	L29-K35 VanDerWaalsContact O-CD 3.25Å; L29-K35 WeakPolarHBondContact O-CD 3.09Å; H32-K35 PolarHBondContact O-N 3.35Å; P33-K35 VanDerWaalsContact C-N 3.31Å; K35-F110 HydrophobicContact CB-CE1 4.39Å; K35-F114 HydrophobicContact CD-CE1 3.99Å; K35-F114 HydrophobicContact CD-CE2 4.26Å; K35-F114 HydrophobicContact CD-CZ 3.59Å; K35-F114 HydrophobicContact CG-CZ 4.48Å; K35-F114 VanDerWaalsContact NZ-CZ 3.28Å; K35-E120 IonicContact NZ-OE1 3.51Å; K35-E120 PolarHBondContact NZ-OE1 2.83Å
36	S	73.8	Confident	81.7	Confident	26 Å²	26	63.8 Å²	63.8	18%	0.182	33%	0.333	C	S	.	.			trans	-109.1	122	-177.3	-177.1	0	0	0	0	109.9	H32 E38 S41	H32-S36 PolarHBondContact O-N 2.94Å; S36-E38 VanDerWaalsContact C-N 3.26Å; S36-E38 PolarHBondContact OG-N 2.82Å; S36-S41 WeakPolarHBondContact CB-OG 3.21Å; S36-S41 WeakPolarHBondContact OG-CB 3.48Å; S36-S41 PolarHBondContact OG-OG 2.95Å
37	N	73.6	Confident	82	Confident	165 Å²	165	61.6 Å²	61.6	88%	0.882	33%	0.327	S	S	*	.			trans	-91.2	12.6	176.3	-153.6	19.8	0	0	0	112.4
38	E	79.4	Confident	82.3	Confident	125 Å²	125	61.6 Å²	61.6	58%	0.584	33%	0.326	S	S	*	.			trans	-75.7	135.6	176.5	-67.3	-170.3	166.6	0	0	111.2	S36 S40 S41	S36-E38 VanDerWaalsContact C-N 3.26Å; S36-E38 PolarHBondContact OG-N 2.82Å; E38-S40 PolarHBondContact O-N 3.48Å; E38-S41 WeakPolarHBondContact O-CB 3.26Å; E38-S41 PolarHBondContact O-N 2.89Å
39	P	75.2	Confident	82.5	Confident	118 Å²	118	61.6 Å²	61.6	77%	0.766	33%	0.326	S	S	*	.	H	α-helix	trans	-61.6	-29.9	179.6	24.4	-32.9	0	0	0	112.5	S41	P39-S41 VanDerWaalsContact C-N 3.33Å
40	S	82.4	Confident	83.1	Confident	70 Å²	70	61.7 Å²	61.7	49%	0.49	33%	0.327	S	S	.	.	H	α-helix	trans	-73.1	-22.3	176.1	-57.1	0	0	0	0	113.5	E38 E43 I44	E38-S40 PolarHBondContact O-N 3.48Å; S40-E43 PolarHBondContact O-N 2.78Å; S40-I44 WeakPolarHBondContact O-CD1 3.35Å; S40-I44 VanDerWaalsContact O-CG1 3.27Å; S40-I44 WeakPolarHBondContact O-CG1 3.46Å; S40-I44 PolarHBondContact O-N 2.85Å
41	S	82.7	Confident	83.5	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.007	30%	0.303	C	S	.	.	H	α-helix	trans	-70	-34.6	-178.2	-73.2	0	0	0	0	112.3	S36 E38 P39 E43 I44 F45	S36-S41 WeakPolarHBondContact CB-OG 3.21Å; S36-S41 WeakPolarHBondContact OG-CB 3.48Å; S36-S41 PolarHBondContact OG-OG 2.95Å; E38-S41 WeakPolarHBondContact O-CB 3.26Å; E38-S41 PolarHBondContact O-N 2.89Å; P39-S41 VanDerWaalsContact C-N 3.33Å; S41-E43 VanDerWaalsContact C-N 3.33Å; S41-E43 PolarHBondContact O-N 2.85Å; S41-I44 PolarHBondContact O-N 3.11Å; S41-F45 WeakPolarHBondContact O-CB 3.44Å; S41-F45 PolarHBondContact O-N 2.95Å
42	A	83.6	Confident	83.9	Confident	54 Å²	54	55.6 Å²	55.6	45%	0.446	30%	0.3	S	S	.	.	H	α-helix	trans	-62.3	-40.5	174.4	0	0	0	0	0	112.2	F45 R46	A42-F45 PolarHBondContact O-N 3.08Å; A42-R46 PolarHBondContact O-N 3.43Å
43	E	86.1	Confident	84.2	Confident	74 Å²	74	56 Å²	56	35%	0.346	30%	0.303	S	S	.	.	H	α-helix	trans	-71.3	-41.6	178.7	-178.4	55.9	-157.1	0	0	111.7	S40 S41 R46 Q47	S40-E43 PolarHBondContact O-N 2.78Å; S41-E43 VanDerWaalsContact C-N 3.33Å; S41-E43 PolarHBondContact O-N 2.85Å; E43-R46 VanDerWaalsContact CD-NH2 3.27Å; E43-R46 WeakPolarHBondContact O-CB 3.17Å; E43-R46 PolarHBondContact O-N 3.05Å; E43-R46 IonicContact OE1-CZ 2.81Å; E43-R46 IonicContact OE1-NE 3.83Å; E43-R46 IonicContact OE1-NH2 3.35Å; E43-R46 PolarHBondContact OE1-NH2 3.46Å; E43-R46 IonicContact OE2-CZ 3.53Å; E43-R46 IonicContact OE2-NE 2.78Å; E43-R46 PolarHBondContact OE2-NE 3.13Å; E43-R46 IonicContact OE2-NH2 2.67Å; E43-R46 PolarHBondContact OE2-NH2 3.13Å; E43-R46 VanDerWaalsContact OE2-NH2 3.07Å; E43-Q47 WeakPolarHBondContact O-CG 3.42Å; E43-Q47 PolarHBondContact O-N 2.97Å; E43-Q47 PolarHBondContact OE1-NE2 3.44Å; E43-Q47 VanDerWaalsContact OE1-NE2 3.09Å
44	I	87.3	Confident	84.6	Confident	58 Å²	58	52.9 Å²	52.9	30%	0.297	28%	0.282	S	S	.	.	H	α-helix	trans	-63.4	-42.6	174	-68.5	165.2	0	0	0	110.5	H31 S40 S41 R46 Q47 I48	H31-I44 HydrophobicContact CB-CG2 4.15Å; S40-I44 WeakPolarHBondContact O-CD1 3.35Å; S40-I44 VanDerWaalsContact O-CG1 3.27Å; S40-I44 WeakPolarHBondContact O-CG1 3.46Å; S40-I44 PolarHBondContact O-N 2.85Å; S41-I44 PolarHBondContact O-N 3.11Å; I44-R46 VanDerWaalsContact C-N 3.31Å; I44-R46 PolarHBondContact O-N 2.96Å; I44-Q47 PolarHBondContact O-N 3.4Å; I44-I48 HydrophobicContact CG2-CD1 3.46Å; I44-I48 VanDerWaalsContact CG2-CD1 3.46Å; I44-I48 HydrophobicContact CG2-CG1 4.2Å; I44-I48 WeakPolarHBondContact O-CB 3.42Å; I44-I48 WeakPolarHBondContact O-CD1 3.4Å; I44-I48 WeakPolarHBondContact O-CG1 3.41Å; I44-I48 PolarHBondContact O-N 2.98Å
45	F	88.9	Confident	85.5	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.009	25%	0.25	C	S	.	.	H	α-helix	trans	-60.9	-40.4	176.3	-177.9	-112.4	0	0	0	112.1	A28 H31 H32 S41 A42 I48 A49 P96 F100	A28-F45 HydrophobicContact CB-CE2 4.12Å; H31-F45 HydrophobicContact CB-CB 4.38Å; H32-F45 AromaticContact CD2-CE2 3.83Å; H32-F45 AromaticContact CD2-CZ 3.6Å; S41-F45 WeakPolarHBondContact O-CB 3.44Å; S41-F45 PolarHBondContact O-N 2.95Å; A42-F45 PolarHBondContact O-N 3.08Å; F45-I48 PolarHBondContact O-N 3.5Å; F45-A49 WeakPolarHBondContact O-CB 3.32Å; F45-A49 PolarHBondContact O-N 3.09Å; F45-P96 HydrophobicContact CD1-CB 3.7Å; F45-P96 HydrophobicContact CD1-CG 3.88Å; F45-P96 HydrophobicContact CE1-CB 3.61Å; F45-P96 HydrophobicContact CE1-CG 3.95Å; F45-P96 HydrophobicContact CZ-CB 4.49Å; F45-F100 AromaticContact CE2-CD2 3.73Å; F45-F100 HydrophobicContact CE2-CD2 3.73Å; F45-F100 HydrophobicContact CE2-CE2 4.27Å; F45-F100 HydrophobicContact CE2-CG 4.45Å; F45-F100 HydrophobicContact CZ-CB 3.87Å; F45-F100 AromaticContact CZ-CD2 3.7Å; F45-F100 HydrophobicContact CZ-CD2 3.7Å; F45-F100 HydrophobicContact CZ-CE2 4.45Å; F45-F100 AromaticContact CZ-CG 3.96Å; F45-F100 HydrophobicContact CZ-CG 3.96Å
46	R	89.9	Confident	86.2	Confident	108 Å²	108	45 Å²	45	41%	0.408	25%	0.248	S	C	.	.	H	α-helix	trans	-59.3	-47.4	173.2	-172.9	176.3	73.8	119.8	-1	111.8	A42 E43 I44 A49 E50 F92	A42-R46 PolarHBondContact O-N 3.43Å; E43-R46 VanDerWaalsContact CD-NH2 3.27Å; E43-R46 WeakPolarHBondContact O-CB 3.17Å; E43-R46 PolarHBondContact O-N 3.05Å; E43-R46 IonicContact OE1-CZ 2.81Å; E43-R46 IonicContact OE1-NE 3.83Å; E43-R46 IonicContact OE1-NH2 3.35Å; E43-R46 PolarHBondContact OE1-NH2 3.46Å; E43-R46 IonicContact OE2-CZ 3.53Å; E43-R46 IonicContact OE2-NE 2.78Å; E43-R46 PolarHBondContact OE2-NE 3.13Å; E43-R46 IonicContact OE2-NH2 2.67Å; E43-R46 PolarHBondContact OE2-NH2 3.13Å; E43-R46 VanDerWaalsContact OE2-NH2 3.07Å; I44-R46 VanDerWaalsContact C-N 3.31Å; I44-R46 PolarHBondContact O-N 2.96Å; R46-A49 PolarHBondContact O-N 3.24Å; R46-E50 PolarHBondContact O-N 3.46Å; R46-F92 HydrophobicContact CG-CE1 4.34Å
47	Q	90	Very high	86.8	Confident	44 Å²	44	46.3 Å²	46.3	21%	0.206	25%	0.253	C	S	.	.	H	α-helix	trans	-66.2	-40.7	179.2	-68.8	172.9	12.6	0	0	112.3	V8 E43 I44 A49 E50 A51	V8-Q47 HydrophobicContact CG1-CB 4.12Å; E43-Q47 WeakPolarHBondContact O-CG 3.42Å; E43-Q47 PolarHBondContact O-N 2.97Å; E43-Q47 PolarHBondContact OE1-NE2 3.44Å; E43-Q47 VanDerWaalsContact OE1-NE2 3.09Å; I44-Q47 PolarHBondContact O-N 3.4Å; Q47-A49 VanDerWaalsContact C-N 3.33Å; Q47-A49 PolarHBondContact O-N 3.39Å; Q47-E50 PolarHBondContact O-N 3.26Å; Q47-A51 VanDerWaalsContact O-CB 3.3Å; Q47-A51 WeakPolarHBondContact O-CB 3.44Å; Q47-A51 PolarHBondContact O-N 3.5Å
48	I	91.7	Very high	87.4	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-62.4	-41.6	175.2	-68.9	158.2	0	0	0	110.8	V8 L9 Y24 L27 H31 I44 F45 F52	V8-I48 HydrophobicContact CG1-CG1 4.26Å; L9-I48 HydrophobicContact CD2-CG2 3.94Å; Y24-I48 HydrophobicContact CD2-CG2 3.45Å; Y24-I48 VanDerWaalsContact CD2-CG2 3.45Å; Y24-I48 HydrophobicContact CE2-CG2 3.68Å; L27-I48 HydrophobicContact CB-CD1 3.7Å; L27-I48 HydrophobicContact CB-CG1 4.15Å; L27-I48 HydrophobicContact CB-CG2 4.05Å; H31-I48 HydrophobicContact CB-CD1 4.27Å; I44-I48 HydrophobicContact CG2-CD1 3.46Å; I44-I48 VanDerWaalsContact CG2-CD1 3.46Å; I44-I48 HydrophobicContact CG2-CG1 4.2Å; I44-I48 WeakPolarHBondContact O-CB 3.42Å; I44-I48 WeakPolarHBondContact O-CD1 3.4Å; I44-I48 WeakPolarHBondContact O-CG1 3.41Å; I44-I48 PolarHBondContact O-N 2.98Å; F45-I48 PolarHBondContact O-N 3.5Å; I48-F52 WeakPolarHBondContact O-CB 3.43Å; I48-F52 PolarHBondContact O-N 3.31Å
49	A	90.8	Very high	87.8	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.7	-42.5	177.4	0	0	0	0	0	112.7	F45 R46 Q47 F52 D53 F92 P96 V99	F45-A49 WeakPolarHBondContact O-CB 3.32Å; F45-A49 PolarHBondContact O-N 3.09Å; R46-A49 PolarHBondContact O-N 3.24Å; Q47-A49 VanDerWaalsContact C-N 3.33Å; Q47-A49 PolarHBondContact O-N 3.39Å; A49-F52 PolarHBondContact O-N 3.43Å; A49-D53 WeakPolarHBondContact O-CB 3.17Å; A49-D53 PolarHBondContact O-N 3.41Å; A49-F92 HydrophobicContact CB-CZ 4.04Å; A49-P96 HydrophobicContact CB-CB 3.55Å; A49-V99 HydrophobicContact CB-CB 4.24Å; A49-V99 HydrophobicContact CB-CG2 4.33Å
50	E	91.3	Very high	88.4	Confident	14 Å²	14	37.3 Å²	37.3	7%	0.065	21%	0.208	C	C	.	.	H	α-helix	trans	-63.6	-47.5	175	-176.5	176.6	161.4	0	0	111.3	Y5 R46 Q47 F52 D53 V54 K73 F92	Y5-E50 HydrophobicContact CE1-CG 3.96Å; Y5-E50 PolarHBondContact OH-OE1 3.33Å; R46-E50 PolarHBondContact O-N 3.46Å; Q47-E50 PolarHBondContact O-N 3.26Å; E50-F52 VanDerWaalsContact C-N 3.29Å; E50-F52 PolarHBondContact O-N 3.12Å; E50-D53 PolarHBondContact O-N 3.05Å; E50-V54 WeakPolarHBondContact O-CG2 3.42Å; E50-V54 PolarHBondContact O-N 3.23Å; E50-V54 VanDerWaalsContact O-N 3.16Å; E50-K73 WeakPolarHBondContact OE1-CE 3.39Å; E50-K73 IonicContact OE1-NZ 2.66Å; E50-K73 PolarHBondContact OE1-NZ 3.24Å; E50-F92 HydrophobicContact CB-CD1 4.19Å; E50-F92 HydrophobicContact CB-CD2 4.23Å; E50-F92 HydrophobicContact CB-CE1 4.39Å; E50-F92 HydrophobicContact CB-CE2 4.41Å; E50-F92 HydrophobicContact CB-CG 4.11Å; E50-F92 HydrophobicContact CB-CZ 4.49Å; E50-F92 HydrophobicContact CG-CB 4.06Å; E50-F92 HydrophobicContact CG-CD1 4.47Å; E50-F92 HydrophobicContact CG-CD2 4.32Å; E50-F92 HydrophobicContact CG-CG 4.05Å
51	A	92	Very high	88.7	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.6	-41.4	178.5	0	0	0	0	0	112	Y5 V8 L9 Q47 L55	Y5-A51 HydrophobicContact CD1-CB 3.68Å; Y5-A51 HydrophobicContact CG-CB 4.06Å; V8-A51 HydrophobicContact CB-CB 4.16Å; V8-A51 HydrophobicContact CG1-CB 3.93Å; L9-A51 HydrophobicContact CD1-CB 4.37Å; L9-A51 HydrophobicContact CD2-CB 4.27Å; L9-A51 HydrophobicContact CG-CB 3.92Å; Q47-A51 VanDerWaalsContact O-CB 3.3Å; Q47-A51 WeakPolarHBondContact O-CB 3.44Å; Q47-A51 PolarHBondContact O-N 3.5Å; A51-L55 VanDerWaalsContact O-CB 3.31Å; A51-L55 WeakPolarHBondContact O-CB 3.18Å; A51-L55 VanDerWaalsContact O-CG 3.26Å; A51-L55 WeakPolarHBondContact O-CG 3.31Å; A51-L55 PolarHBondContact O-N 3.41Å
52	F	91.8	Very high	88.8	Confident	15 Å²	15	37.4 Å²	37.4	7%	0.066	21%	0.206	C	C	.	.	H	α-helix	trans	-69.3	-45.3	176.9	-179.3	-105	0	0	0	112.7	I20 K21 Y24 I48 A49 E50 V54 L55 S56 V99 F103	I20-F52 HydrophobicContact CG2-CD2 3.95Å; I20-F52 HydrophobicContact CG2-CE2 4.19Å; K21-F52 HydrophobicContact CB-CE2 4.49Å; K21-F52 HydrophobicContact CG-CE2 3.88Å; K21-F52 HydrophobicContact CG-CZ 4.19Å; Y24-F52 HydrophobicContact CD1-CB 4.31Å; Y24-F52 AromaticContact CD1-CD1 3.7Å; Y24-F52 HydrophobicContact CD1-CD1 3.7Å; Y24-F52 AromaticContact CD1-CD2 3.86Å; Y24-F52 HydrophobicContact CD1-CD2 3.86Å; Y24-F52 AromaticContact CD1-CE1 3.94Å; Y24-F52 HydrophobicContact CD1-CE1 3.94Å; Y24-F52 HydrophobicContact CD1-CE2 4.09Å; Y24-F52 AromaticContact CD1-CG 3.66Å; Y24-F52 HydrophobicContact CD1-CG 3.66Å; Y24-F52 HydrophobicContact CD1-CZ 4.14Å; Y24-F52 HydrophobicContact CD2-CB 3.2Å; Y24-F52 HydrophobicContact CD2-CD1 4.08Å; Y24-F52 HydrophobicContact CD2-CD2 4.06Å; Y24-F52 AromaticContact CD2-CG 3.51Å; Y24-F52 HydrophobicContact CD2-CG 3.51Å; Y24-F52 AromaticContact CE1-CD1 3.75Å; Y24-F52 HydrophobicContact CE1-CD1 3.75Å; Y24-F52 HydrophobicContact CE1-CE1 4.06Å; Y24-F52 HydrophobicContact CE1-CG 4.11Å; Y24-F52 HydrophobicContact CE2-CB 3.61Å; Y24-F52 HydrophobicContact CE2-CD1 4.12Å; Y24-F52 AromaticContact CE2-CG 3.97Å; Y24-F52 HydrophobicContact CE2-CG 3.97Å; Y24-F52 HydrophobicContact CG-CB 3.59Å; Y24-F52 AromaticContact CG-CD1 3.87Å; Y24-F52 HydrophobicContact CG-CD1 3.87Å; Y24-F52 AromaticContact CG-CD2 3.48Å; Y24-F52 HydrophobicContact CG-CD2 3.48Å; Y24-F52 VanDerWaalsContact CG-CD2 3.48Å; Y24-F52 HydrophobicContact CG-CE1 4.46Å; Y24-F52 HydrophobicContact CG-CE2 4.12Å; Y24-F52 AromaticContact CG-CG 3.33Å; Y24-F52 HydrophobicContact CG-CG 3.33Å; Y24-F52 AromaticContact CZ-CD1 3.96Å; I48-F52 WeakPolarHBondContact O-CB 3.43Å; I48-F52 PolarHBondContact O-N 3.31Å; A49-F52 PolarHBondContact O-N 3.43Å; E50-F52 VanDerWaalsContact C-N 3.29Å; E50-F52 PolarHBondContact O-N 3.12Å; F52-V54 PolarHBondContact O-N 2.99Å; F52-V54 VanDerWaalsContact O-N 3.16Å; F52-L55 PolarHBondContact O-N 2.72Å; F52-S56 WeakPolarHBondContact O-CB 3.12Å; F52-S56 PolarHBondContact O-N 2.98Å; F52-S56 PolarHBondContact O-OG 3.36Å; F52-V99 HydrophobicContact CD1-CG1 3.7Å; F52-V99 HydrophobicContact CE1-CG1 4.36Å; F52-F103 HydrophobicContact CE1-CB 4.46Å; F52-F103 AromaticContact CE1-CD2 3.56Å; F52-F103 HydrophobicContact CE1-CD2 3.56Å; F52-F103 HydrophobicContact CE1-CE2 4.24Å; F52-F103 HydrophobicContact CE1-CG 4.38Å; F52-F103 HydrophobicContact CE2-CD2 4.19Å; F52-F103 HydrophobicContact CE2-CE2 4.04Å; F52-F103 AromaticContact CZ-CD2 3.34Å; F52-F103 HydrophobicContact CZ-CD2 3.34Å; F52-F103 AromaticContact CZ-CE2 3.58Å; F52-F103 HydrophobicContact CZ-CE2 3.58Å; F52-F103 HydrophobicContact CZ-CG 4.49Å
53	D	90.3	Very high	88.9	Confident	27 Å²	27	35.7 Å²	35.7	14%	0.144	19%	0.189	C	C	.	.	H	α-helix	trans	-59.5	-28.5	179.5	-178.5	58.2	0	0	0	113.1	A49 E50 K60 Y90 F92 V99	A49-D53 WeakPolarHBondContact O-CB 3.17Å; A49-D53 PolarHBondContact O-N 3.41Å; E50-D53 PolarHBondContact O-N 3.05Å; D53-K60 WeakPolarHBondContact O-CD 3.34Å; D53-K60 PolarHBondContact O-NZ 2.95Å; D53-K60 IonicContact OD1-NZ 2.72Å; D53-K60 PolarHBondContact OD1-NZ 3.33Å; D53-K60 IonicContact OD2-NZ 3.24Å; D53-K60 PolarHBondContact OD2-NZ 3.09Å; D53-Y90 WeakPolarHBondContact OD2-CE2 3.39Å; D53-Y90 VanDerWaalsContact OD2-CZ 3.25Å; D53-Y90 PolarHBondContact OD2-OH 3.36Å; D53-F92 HydrophobicContact CB-CE2 4.38Å; D53-V99 HydrophobicContact CB-CG2 4.37Å
54	V	90.1	Very high	89	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-80.8	-50.6	174	175.3	0	0	0	0	111.6	Y5 E50 F52 S56 K60 R61 Y64 L72 Y90	Y5-V54 HydrophobicContact CD2-CB 4.12Å; Y5-V54 HydrophobicContact CD2-CG1 3.87Å; Y5-V54 HydrophobicContact CD2-CG2 4.41Å; Y5-V54 HydrophobicContact CE2-CB 4.07Å; Y5-V54 HydrophobicContact CE2-CG1 3.89Å; Y5-V54 HydrophobicContact CE2-CG2 3.87Å; E50-V54 WeakPolarHBondContact O-CG2 3.42Å; E50-V54 PolarHBondContact O-N 3.23Å; E50-V54 VanDerWaalsContact O-N 3.16Å; F52-V54 PolarHBondContact O-N 2.99Å; F52-V54 VanDerWaalsContact O-N 3.16Å; V54-S56 VanDerWaalsContact C-N 3.35Å; V54-S56 PolarHBondContact O-N 3.35Å; V54-K60 HydrophobicContact CG1-CB 4.23Å; V54-K60 WeakPolarHBondContact O-CB 3.43Å; V54-R61 PolarHBondContact O-N 3.38Å; V54-Y64 HydrophobicContact CG1-CG 4.25Å; V54-L72 HydrophobicContact CB-CD2 4.25Å; V54-L72 HydrophobicContact CG1-CD2 3.49Å; V54-L72 VanDerWaalsContact CG1-CD2 3.49Å; V54-L72 HydrophobicContact CG2-CD2 3.66Å; V54-Y90 HydrophobicContact CG2-CD1 4.1Å; V54-Y90 HydrophobicContact CG2-CE1 3.47Å; V54-Y90 VanDerWaalsContact CG2-CE1 3.47Å; V54-Y90 HydrophobicContact CG2-CE2 4.44Å
55	L	91	Very high	89	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-76.7	-20.4	-172.7	-66.5	177.5	0	0	0	113.6	Y6 L9 I11 I20 A51 F52 R61 Y64	Y6-L55 HydrophobicContact CD1-CD1 4.05Å; Y6-L55 HydrophobicContact CD1-CD2 4.47Å; Y6-L55 HydrophobicContact CE1-CD1 4.15Å; Y6-L55 HydrophobicContact CE1-CD2 3.86Å; Y6-L55 HydrophobicContact CE2-CD2 3.93Å; Y6-L55 HydrophobicContact CG-CD1 4.39Å; L9-L55 HydrophobicContact CD1-CD1 3.81Å; I11-L55 HydrophobicContact CD1-CD1 4.47Å; I20-L55 HydrophobicContact CD1-CB 4.3Å; I20-L55 HydrophobicContact CG2-CB 4.01Å; A51-L55 VanDerWaalsContact O-CB 3.31Å; A51-L55 WeakPolarHBondContact O-CB 3.18Å; A51-L55 VanDerWaalsContact O-CG 3.26Å; A51-L55 WeakPolarHBondContact O-CG 3.31Å; A51-L55 PolarHBondContact O-N 3.41Å; F52-L55 PolarHBondContact O-N 2.72Å; L55-R61 HydrophobicContact CD2-CG 4.09Å; L55-Y64 HydrophobicContact CD2-CD1 4.12Å; L55-Y64 HydrophobicContact CD2-CE1 4.49Å
56	S	87.4	Confident	88.9	Confident	40 Å²	40	41.4 Å²	41.4	28%	0.28	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-24.5	176.7	67.1	0	0	0	0	113.5	F52 V54	F52-S56 WeakPolarHBondContact O-CB 3.12Å; F52-S56 PolarHBondContact O-N 2.98Å; F52-S56 PolarHBondContact O-OG 3.36Å; V54-S56 VanDerWaalsContact C-N 3.35Å; V54-S56 PolarHBondContact O-N 3.35Å
57	D	87.1	Confident	88.5	Confident	54 Å²	54	41.5 Å²	41.5	29%	0.289	22%	0.218	S	C	.	.	S	Bend	trans	-94.2	119.5	178.6	-177.9	-34.4	0	0	0	109.3	V59 K60 R61	D57-V59 PolarHBondContact O-N 3.32Å; D57-V59 WeakPolarHBondContact OD1-CA 3.34Å; D57-V59 WeakPolarHBondContact OD1-CB 3.47Å; D57-V59 PolarHBondContact OD1-N 3.46Å; D57-K60 HydrophobicContact CB-CB 4.01Å; D57-K60 HydrophobicContact CB-CD 3.9Å; D57-K60 HydrophobicContact CB-CG 3.88Å; D57-K60 PolarHBondContact O-N 2.92Å; D57-K60 PolarHBondContact OD1-N 2.74Å; D57-R61 VanDerWaalsContact O-CB 3.23Å; D57-R61 WeakPolarHBondContact O-CB 3.37Å; D57-R61 PolarHBondContact O-N 3.36Å
58	P	87.3	Confident	88.2	Confident	110 Å²	110	40.8 Å²	40.8	71%	0.714	22%	0.223	S	C	*	.	H	α-helix	trans	-61.2	-28.8	-176.5	25.3	-34.2	0	0	0	113	G62	P58-G62 PolarHBondContact O-N 3.04Å
59	V	86.3	Confident	87.8	Confident	67 Å²	67	42.3 Å²	42.3	41%	0.406	23%	0.23	S	C	.	.	H	α-helix	trans	-74.4	-50.2	177.8	-178	0	0	0	0	110	D57 G62 I63	D57-V59 PolarHBondContact O-N 3.32Å; D57-V59 WeakPolarHBondContact OD1-CA 3.34Å; D57-V59 WeakPolarHBondContact OD1-CB 3.47Å; D57-V59 PolarHBondContact OD1-N 3.46Å; V59-G62 PolarHBondContact O-N 2.83Å; V59-I63 HydrophobicContact CG1-CD1 4.21Å; V59-I63 WeakPolarHBondContact O-CG1 3.45Å; V59-I63 PolarHBondContact O-N 2.97Å
60	K	87.4	Confident	87.3	Confident	41 Å²	41	49.6 Å²	49.6	18%	0.178	26%	0.264	C	S	.	.	H	α-helix	trans	-64.2	-42.6	178.9	-61.2	-179.1	-161.3	163.2	0	111.3	D53 V54 D57 G62 I63 Y64 L72 Y90	D53-K60 WeakPolarHBondContact O-CD 3.34Å; D53-K60 PolarHBondContact O-NZ 2.95Å; D53-K60 IonicContact OD1-NZ 2.72Å; D53-K60 PolarHBondContact OD1-NZ 3.33Å; D53-K60 IonicContact OD2-NZ 3.24Å; D53-K60 PolarHBondContact OD2-NZ 3.09Å; V54-K60 HydrophobicContact CG1-CB 4.23Å; V54-K60 WeakPolarHBondContact O-CB 3.43Å; D57-K60 HydrophobicContact CB-CB 4.01Å; D57-K60 HydrophobicContact CB-CD 3.9Å; D57-K60 HydrophobicContact CB-CG 3.88Å; D57-K60 PolarHBondContact O-N 2.92Å; D57-K60 PolarHBondContact OD1-N 2.74Å; K60-G62 VanDerWaalsContact C-N 3.35Å; K60-G62 PolarHBondContact O-N 3.07Å; K60-I63 PolarHBondContact O-N 3.14Å; K60-Y64 WeakPolarHBondContact O-CB 2.88Å; K60-Y64 PolarHBondContact O-N 2.69Å; K60-L72 HydrophobicContact CB-CD1 4.29Å; K60-Y90 HydrophobicContact CD-CD2 4.01Å; K60-Y90 HydrophobicContact CD-CE2 3.95Å
61	R	89.1	Confident	86.7	Confident	45 Å²	45	49.7 Å²	49.7	17%	0.17	27%	0.268	C	S	.	.	H	α-helix	trans	-57.6	-46.9	173	-178	177.2	178.3	176.6	3.6	111.1	Y6 R13 S15 V54 L55 D57 I63 Y64 D65	Y6-R61 PolarHBondContact OH-NE 2.81Å; Y6-R61 VanDerWaalsContact OH-NE 3.08Å; R13-R61 PolarHBondContact O-NH2 3.04Å; R13-R61 VanDerWaalsContact O-NH2 3.14Å; S15-R61 PolarHBondContact O-NH1 3.36Å; S15-R61 VanDerWaalsContact O-NH1 3.13Å; S15-R61 PolarHBondContact O-NH2 2.87Å; V54-R61 PolarHBondContact O-N 3.38Å; L55-R61 HydrophobicContact CD2-CG 4.09Å; D57-R61 VanDerWaalsContact O-CB 3.23Å; D57-R61 WeakPolarHBondContact O-CB 3.37Å; D57-R61 PolarHBondContact O-N 3.36Å; R61-I63 VanDerWaalsContact C-N 3.32Å; R61-I63 PolarHBondContact O-N 2.79Å; R61-Y64 PolarHBondContact O-N 2.77Å; R61-D65 WeakPolarHBondContact CG-OD2 3.5Å; R61-D65 IonicContact NE-OD2 2.68Å; R61-D65 WeakPolarHBondContact O-CB 3.43Å; R61-D65 PolarHBondContact O-N 2.9Å
62	G	86.4	Confident	86.2	Confident	28 Å²	28	50 Å²	50	29%	0.289	27%	0.27	S	S	.	.	H	α-helix	trans	-62.7	-35.3	178.6	0	0	0	0	0	113.9	P58 V59 K60 K66	P58-G62 PolarHBondContact O-N 3.04Å; V59-G62 PolarHBondContact O-N 2.83Å; K60-G62 VanDerWaalsContact C-N 3.35Å; K60-G62 PolarHBondContact O-N 3.07Å; G62-K66 WeakPolarHBondContact O-CG 3.41Å; G62-K66 PolarHBondContact O-N 2.72Å
63	I	84.7	Confident	85.7	Confident	18 Å²	18	53.1 Å²	53.1	9%	0.092	28%	0.284	C	S	.	.	H	α-helix	trans	-70	-46.8	174.1	-66.2	166.5	0	0	0	110.1	V59 K60 R61 D65 K66 F67 L72 W86	V59-I63 HydrophobicContact CG1-CD1 4.21Å; V59-I63 WeakPolarHBondContact O-CG1 3.45Å; V59-I63 PolarHBondContact O-N 2.97Å; K60-I63 PolarHBondContact O-N 3.14Å; R61-I63 VanDerWaalsContact C-N 3.32Å; R61-I63 PolarHBondContact O-N 2.79Å; I63-D65 PolarHBondContact O-N 3.33Å; I63-K66 PolarHBondContact O-N 3.33Å; I63-F67 HydrophobicContact CG2-CD2 4.27Å; I63-F67 PolarHBondContact O-N 3.41Å; I63-L72 HydrophobicContact CB-CD1 4.22Å; I63-L72 HydrophobicContact CG2-CB 4.33Å; I63-L72 HydrophobicContact CG2-CD1 4.01Å; I63-W86 HydrophobicContact CD1-CG 4.26Å
64	Y	87.8	Confident	84.8	Confident	19 Å²	19	54.9 Å²	54.9	8%	0.075	31%	0.308	C	S	.	.	H	α-helix	trans	-60.1	-44	178.2	-179.7	-105.5	0	0	0	112.5	Q3 D4 Y5 Y6 V54 L55 K60 R61 K66 G68 E69 L72	Q3-Y64 PolarHBondContact O-OH 2.81Å; D4-Y64 VanDerWaalsContact CA-OH 3.26Å; D4-Y64 WeakPolarHBondContact CA-OH 3.44Å; Y5-Y64 HydrophobicContact CD2-CD1 4.13Å; Y5-Y64 AromaticContact CD2-CD2 3.55Å; Y5-Y64 HydrophobicContact CD2-CD2 3.55Å; Y5-Y64 AromaticContact CD2-CE1 3.85Å; Y5-Y64 HydrophobicContact CD2-CE1 3.85Å; Y5-Y64 AromaticContact CD2-CE2 3.24Å; Y5-Y64 HydrophobicContact CD2-CE2 3.24Å; Y5-Y64 AromaticContact CD2-CG 3.98Å; Y5-Y64 HydrophobicContact CD2-CG 3.98Å; Y5-Y64 AromaticContact CD2-CZ 3.39Å; Y5-Y64 AromaticContact CE2-CD2 3.67Å; Y5-Y64 HydrophobicContact CE2-CD2 3.67Å; Y5-Y64 AromaticContact CE2-CE2 3.52Å; Y5-Y64 HydrophobicContact CE2-CE2 3.52Å; Y5-Y64 HydrophobicContact CE2-CG 4.4Å; Y5-Y64 HydrophobicContact CG-CE1 4.38Å; Y5-Y64 HydrophobicContact CG-CE2 4.15Å; Y5-Y64 AromaticContact CG-CZ 3.94Å; Y5-Y64 PolarHBondContact N-OH 3.32Å; Y6-Y64 AromaticContact CD2-CE1 3.92Å; Y6-Y64 HydrophobicContact CD2-CE1 3.92Å; Y6-Y64 HydrophobicContact CE2-CD1 4.04Å; Y6-Y64 AromaticContact CE2-CE1 3.77Å; Y6-Y64 HydrophobicContact CE2-CE1 3.77Å; V54-Y64 HydrophobicContact CG1-CG 4.25Å; L55-Y64 HydrophobicContact CD2-CD1 4.12Å; L55-Y64 HydrophobicContact CD2-CE1 4.49Å; K60-Y64 WeakPolarHBondContact O-CB 2.88Å; K60-Y64 PolarHBondContact O-N 2.69Å; R61-Y64 PolarHBondContact O-N 2.77Å; Y64-K66 PolarHBondContact O-N 3.4Å; Y64-G68 WeakPolarHBondContact O-CA 3.11Å; Y64-G68 PolarHBondContact O-N 3.12Å; Y64-E69 HydrophobicContact CE2-CB 4.23Å; Y64-L72 HydrophobicContact CD2-CD2 4.21Å
65	D	88.5	Confident	83.6	Confident	82 Å²	82	55.4 Å²	55.4	44%	0.439	31%	0.314	S	S	.	.	H	α-helix	trans	-64.7	-29.6	179.7	-72.1	-19.8	0	0	0	112.4	Y6 R61 I63	Y6-D65 VanDerWaalsContact CE2-OD1 3.26Å; Y6-D65 WeakPolarHBondContact CE2-OD1 3.23Å; Y6-D65 VanDerWaalsContact OH-CG 3.29Å; Y6-D65 PolarHBondContact OH-OD1 3.14Å; Y6-D65 PolarHBondContact OH-OD2 3.21Å; R61-D65 WeakPolarHBondContact CG-OD2 3.5Å; R61-D65 IonicContact NE-OD2 2.68Å; R61-D65 WeakPolarHBondContact O-CB 3.43Å; R61-D65 PolarHBondContact O-N 2.9Å; I63-D65 PolarHBondContact O-N 3.33Å
66	K	85.1	Confident	82.2	Confident	154 Å²	154	57.9 Å²	57.9	67%	0.67	33%	0.326	S	S	*	.	H	α-helix	trans	-89.2	-39.3	-179.4	-72.8	179.1	-178.2	-179.4	0	113.8	G62 I63 Y64	G62-K66 WeakPolarHBondContact O-CG 3.41Å; G62-K66 PolarHBondContact O-N 2.72Å; I63-K66 PolarHBondContact O-N 3.33Å; Y64-K66 PolarHBondContact O-N 3.4Å
67	F	82.5	Confident	80.7	Confident	109 Å²	109	61.4 Å²	61.4	48%	0.478	35%	0.348	S	S	.	.	H	α-helix	trans	-124.5	2.5	-167.8	-55.4	-75.5	0	0	0	114	I63 G71 I76	I63-F67 HydrophobicContact CG2-CD2 4.27Å; I63-F67 PolarHBondContact O-N 3.41Å; F67-G71 PolarHBondContact O-N 2.91Å; F67-I76 HydrophobicContact CE2-CD1 4.02Å
68	G	84.3	Confident	79.1	Confident	29 Å²	29	64.1 Å²	64.1	30%	0.299	36%	0.362	S	S	.	.	H	α-helix	trans	65	-167.1	-177.5	0	0	0	0	0	113.3	Y64 E70 L72	Y64-G68 WeakPolarHBondContact O-CA 3.11Å; Y64-G68 PolarHBondContact O-N 3.12Å; G68-E70 VanDerWaalsContact C-N 3.29Å; G68-E70 PolarHBondContact O-N 3.38Å; G68-L72 WeakPolarHBondContact O-CB 3.41Å; G68-L72 PolarHBondContact O-N 3.48Å
69	E	83.4	Confident	77.5	Confident	35 Å²	35	67.6 Å²	67.6	16%	0.164	37%	0.369	C	S	.	.	H	α-helix	trans	-63.3	-36.3	178.5	-172.2	-173	172	0	0	112.1	G2 Q3 Y64 L72 K73	G2-E69 WeakPolarHBondContact CA-OE2 3.34Å; Q3-E69 PolarHBondContact N-OE2 3.45Å; Y64-E69 HydrophobicContact CE2-CB 4.23Å; E69-L72 PolarHBondContact O-N 3.1Å; E69-K73 HydrophobicContact CG-CD 3.87Å; E69-K73 HydrophobicContact CG-CG 4.24Å; E69-K73 PolarHBondContact O-N 3Å; E69-K73 VanDerWaalsContact OE1-CE 3.26Å; E69-K73 WeakPolarHBondContact OE1-CE 3.24Å; E69-K73 IonicContact OE1-NZ 2.68Å; E69-K73 PolarHBondContact OE1-NZ 3.27Å
70	E	80.1	Confident	75.5	Confident	152 Å²	152	74.1 Å²	74.1	71%	0.71	39%	0.392	S	S	*	.	H	α-helix	trans	-65.3	-42.8	-176.3	-65.8	-178.6	176.6	0	0	111.7	G68 G74	G68-E70 VanDerWaalsContact C-N 3.29Å; G68-E70 PolarHBondContact O-N 3.38Å; E70-G74 WeakPolarHBondContact O-CA 3.48Å; E70-G74 PolarHBondContact O-N 2.98Å
71	G	77.2	Confident	73.5	Confident	16 Å²	16	74.8 Å²	74.8	17%	0.165	41%	0.41	C	S	.	.	H	α-helix	trans	-73.7	-30.5	174.9	0	0	0	0	0	113.7	F67 G75	F67-G71 PolarHBondContact O-N 2.91Å; G71-G75 PolarHBondContact O-N 2.81Å
72	L	81.8	Confident	71.8	Confident	8 Å²	8	77.4 Å²	77.4	4%	0.042	44%	0.436	C	S	.	.	H	α-helix	trans	-66.7	-48.1	175	-177.9	69.2	0	0	0	111.5	Y5 V54 K60 I63 Y64 G68 E69 Y90	Y5-L72 HydrophobicContact CE2-CD2 3.88Å; V54-L72 HydrophobicContact CB-CD2 4.25Å; V54-L72 HydrophobicContact CG1-CD2 3.49Å; V54-L72 VanDerWaalsContact CG1-CD2 3.49Å; V54-L72 HydrophobicContact CG2-CD2 3.66Å; K60-L72 HydrophobicContact CB-CD1 4.29Å; I63-L72 HydrophobicContact CB-CD1 4.22Å; I63-L72 HydrophobicContact CG2-CB 4.33Å; I63-L72 HydrophobicContact CG2-CD1 4.01Å; Y64-L72 HydrophobicContact CD2-CD2 4.21Å; G68-L72 WeakPolarHBondContact O-CB 3.41Å; G68-L72 PolarHBondContact O-N 3.48Å; E69-L72 PolarHBondContact O-N 3.1Å; L72-Y90 HydrophobicContact CD1-CG 4.36Å; L72-Y90 HydrophobicContact CD2-CD1 3.92Å; L72-Y90 HydrophobicContact CD2-CG 4.43Å; L72-Y90 HydrophobicContact CG-CD1 4.04Å; L72-Y90 HydrophobicContact CG-CG 4.18Å; L72-Y90 WeakPolarHBondContact O-CB 3.14Å; L72-Y90 PolarHBondContact O-N 2.79Å
73	K	81.4	Confident	70.1	Confident	80 Å²	80	85 Å²	85	35%	0.348	46%	0.463	S	S	.	.	H	α-helix	trans	-81.7	-32.8	-178	-67.6	-173.6	175.6	174.8	0	113.5	E50 E69 G89	E50-K73 WeakPolarHBondContact OE1-CE 3.39Å; E50-K73 IonicContact OE1-NZ 2.66Å; E50-K73 PolarHBondContact OE1-NZ 3.24Å; E69-K73 HydrophobicContact CG-CD 3.87Å; E69-K73 HydrophobicContact CG-CG 4.24Å; E69-K73 PolarHBondContact O-N 3Å; E69-K73 VanDerWaalsContact OE1-CE 3.26Å; E69-K73 WeakPolarHBondContact OE1-CE 3.24Å; E69-K73 IonicContact OE1-NZ 2.68Å; E69-K73 PolarHBondContact OE1-NZ 3.27Å; K73-G89 WeakPolarHBondContact O-CA 3.41Å
74	G	71.4	Confident	68.8	Low	64 Å²	64	87.1 Å²	87.1	66%	0.66	48%	0.478	S	S	*	.	H	α-helix	trans	-79.1	-20.3	179.7	0	0	0	0	0	114.4	E70	E70-G74 WeakPolarHBondContact O-CA 3.48Å; E70-G74 PolarHBondContact O-N 2.98Å
75	G	65.7	Low	67.2	Low	11 Å²	11	91.8 Å²	91.8	11%	0.113	51%	0.51	C	S	.	.			trans	71.3	162.5	-169.6	0	0	0	0	0	111.9	G71 P77	G71-G75 PolarHBondContact O-N 2.81Å; G75-P77 WeakPolarHBondContact O-CD 3.45Å
76	I	61.2	Low	65.6	Low	53 Å²	53	93.8 Å²	93.8	27%	0.272	51%	0.512	S	S	.	.			trans	-86.3	122	178.4	-49.7	175.1	0	0	0	108.7	F67 L78 W86	F67-I76 HydrophobicContact CE2-CD1 4.02Å; I76-L78 PolarHBondContact O-N 2.67Å; I76-W86 HydrophobicContact CD1-CB 4.14Å; I76-W86 HydrophobicContact CD1-CE3 3.98Å; I76-W86 PolarHBondContact N-O 2.82Å
77	P	55.1	Low	64.3	Low	115 Å²	115	88.1 Å²	88.1	75%	0.747	49%	0.49	S	S	*	.			trans	-58.7	133.8	177.9	-24.6	34.5	0	0	0	112.5	G75 E79	G75-P77 WeakPolarHBondContact O-CD 3.45Å; P77-E79 PolarHBondContact O-N 3.3Å
78	L	55.2	Low	63.5	Low	110 Å²	110	88.2 Å²	88.2	58%	0.576	50%	0.5	S	S	*	.			trans	-73.9	87	-178.8	-83	157.8	0	0	0	111.6	I76 T87	I76-L78 PolarHBondContact O-N 2.67Å; L78-T87 HydrophobicContact CD1-CG2 4.43Å; L78-T87 HydrophobicContact CD2-CG2 3.71Å; L78-T87 HydrophobicContact CG-CG2 3.86Å
79	E	52.6	Low	62.9	Low	183 Å²	183	87.9 Å²	87.9	86%	0.855	50%	0.496	S	S	*	.	S	Bend	trans	-98.1	-14.5	160.4	-94.4	-169.3	157.1	0	0	113.4	P77	P77-E79 PolarHBondContact O-N 3.3Å
80	F	44.4	Very low	62.7	Low	205 Å²	205	87.6 Å²	87.6	90%	0.899	49%	0.494	S	S	*	.	S	Bend	trans	-145.9	94.8	178.6	-93.6	-93.5	0	0	0	113
81	G	45.6	Very low	62.8	Low	54 Å²	54	86.4 Å²	86.4	56%	0.557	50%	0.497	S	S	*	.	S	Bend	trans	81.7	137	153.2	0	0	0	0	0	118.8
82	S	53.9	Low	62.9	Low	100 Å²	100	86.8 Å²	86.8	70%	0.699	49%	0.494	S	S	*	.	S	Bend	trans	39.6	133.9	161	-43.5	0	0	0	0	120.1	T84	S82-T84 PolarHBondContact O-N 3.16Å
83	Q	50.9	Low	62.7	Low	187 Å²	187	89.8 Å²	89.8	87%	0.874	51%	0.507	S	S	*	.			trans	-54.8	103.8	168.2	-68.9	-178.2	19.7	0	0	110.6
84	T	56.3	Low	62.6	Low	64 Å²	64	88.3 Å²	88.3	39%	0.393	52%	0.515	S	S	.	.			trans	-113.5	158.5	174.2	53.1	0	0	0	0	108.7	S82 W86 T87	S82-T84 PolarHBondContact O-N 3.16Å; T84-W86 PolarHBondContact O-N 3.41Å; T84-T87 PolarHBondContact N-OG1 3.44Å; T84-T87 PolarHBondContact O-N 2.83Å; T84-T87 PolarHBondContact O-OG1 3.25Å
85	P	54.3	Low	63.2	Low	116 Å²	116	91.6 Å²	91.6	75%	0.753	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-8.5	176.3	-25.1	34.4	0	0	0	115
86	W	55.1	Low	64.2	Low	124 Å²	124	91.7 Å²	91.7	47%	0.47	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-13.4	179.8	-65.6	18.7	0	0	0	113.6	I63 I76 T84	I63-W86 HydrophobicContact CD1-CG 4.26Å; I76-W86 HydrophobicContact CD1-CB 4.14Å; I76-W86 HydrophobicContact CD1-CE3 3.98Å; I76-W86 PolarHBondContact N-O 2.82Å; T84-W86 PolarHBondContact O-N 3.41Å
87	T	58.6	Low	65.3	Low	36 Å²	36	94.3 Å²	94.3	22%	0.221	52%	0.521	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-18.2	-177.9	54.6	0	0	0	0	113.4	L78 T84	L78-T87 HydrophobicContact CD1-CG2 4.43Å; L78-T87 HydrophobicContact CD2-CG2 3.71Å; L78-T87 HydrophobicContact CG-CG2 3.86Å; T84-T87 PolarHBondContact N-OG1 3.44Å; T84-T87 PolarHBondContact O-N 2.83Å; T84-T87 PolarHBondContact O-OG1 3.25Å
88	T	64.7	Low	66.7	Low	111 Å²	111	94.5 Å²	94.5	68%	0.681	51%	0.51	S	S	*	.	S	Bend	trans	-93.1	119	175.2	-53.4	0	0	0	0	108.9
89	G	71.9	Confident	68.2	Low	22 Å²	22	89.5 Å²	89.5	23%	0.227	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-57.8	136.9	175.3	0	0	0	0	0	112	K73 V91	K73-G89 WeakPolarHBondContact O-CA 3.41Å; G89-V91 PolarHBondContact O-N 2.66Å
90	Y	79.3	Confident	69.8	Low	29 Å²	29	80.9 Å²	80.9	11%	0.114	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-69.5	127.5	175.8	169.8	-101	0	0	0	110.3	D53 V54 K60 L72 F92	D53-Y90 WeakPolarHBondContact OD2-CE2 3.39Å; D53-Y90 VanDerWaalsContact OD2-CZ 3.25Å; D53-Y90 PolarHBondContact OD2-OH 3.36Å; V54-Y90 HydrophobicContact CG2-CD1 4.1Å; V54-Y90 HydrophobicContact CG2-CE1 3.47Å; V54-Y90 VanDerWaalsContact CG2-CE1 3.47Å; V54-Y90 HydrophobicContact CG2-CE2 4.44Å; K60-Y90 HydrophobicContact CD-CD2 4.01Å; K60-Y90 HydrophobicContact CD-CE2 3.95Å; L72-Y90 HydrophobicContact CD1-CG 4.36Å; L72-Y90 HydrophobicContact CD2-CD1 3.92Å; L72-Y90 HydrophobicContact CD2-CG 4.43Å; L72-Y90 HydrophobicContact CG-CD1 4.04Å; L72-Y90 HydrophobicContact CG-CG 4.18Å; L72-Y90 WeakPolarHBondContact O-CB 3.14Å; L72-Y90 PolarHBondContact O-N 2.79Å; Y90-F92 HydrophobicContact CE1-CB 4.2Å; Y90-F92 WeakPolarHBondContact OH-CD2 3.48Å
91	V	81.4	Confident	71.6	Confident	126 Å²	126	74.5 Å²	74.5	76%	0.764	42%	0.416	S	S	*	.			trans	-122.7	118.5	171.3	-179.8	0	0	0	0	107.8	G89 H93	G89-V91 PolarHBondContact O-N 2.66Å; V91-H93 PolarHBondContact O-N 3.17Å
92	F	81	Confident	73.4	Confident	25 Å²	25	78.4 Å²	78.4	11%	0.11	42%	0.42	C	S	.	.			trans	-60.4	131.5	173.7	-177	-122.6	0	0	0	109.4	R46 A49 E50 D53 Y90 G94 V99	R46-F92 HydrophobicContact CG-CE1 4.34Å; A49-F92 HydrophobicContact CB-CZ 4.04Å; E50-F92 HydrophobicContact CB-CD1 4.19Å; E50-F92 HydrophobicContact CB-CD2 4.23Å; E50-F92 HydrophobicContact CB-CE1 4.39Å; E50-F92 HydrophobicContact CB-CE2 4.41Å; E50-F92 HydrophobicContact CB-CG 4.11Å; E50-F92 HydrophobicContact CB-CZ 4.49Å; E50-F92 HydrophobicContact CG-CB 4.06Å; E50-F92 HydrophobicContact CG-CD1 4.47Å; E50-F92 HydrophobicContact CG-CD2 4.32Å; E50-F92 HydrophobicContact CG-CG 4.05Å; D53-F92 HydrophobicContact CB-CE2 4.38Å; Y90-F92 HydrophobicContact CE1-CB 4.2Å; Y90-F92 WeakPolarHBondContact OH-CD2 3.48Å; F92-G94 PolarHBondContact O-N 3.19Å; F92-V99 HydrophobicContact CE2-CG2 3.86Å; F92-V99 HydrophobicContact CZ-CG2 4.2Å
93	H	77.4	Confident	74.8	Confident	70 Å²	70	74 Å²	74	32%	0.324	39%	0.389	S	S	.	.			trans	-68.6	2.3	-176.2	57.1	73.9	0	0	0	114	V91 K95	V91-H93 PolarHBondContact O-N 3.17Å; H93-K95 PolarHBondContact CE1-O 3.26Å; H93-K95 PolarHBondContact ND1-N 2.99Å; H93-K95 PolarHBondContact O-N 3.26Å; H93-K95 VanDerWaalsContact O-N 3.16Å
94	G	78.8	Confident	76.2	Confident	49 Å²	49	65.5 Å²	65.5	51%	0.505	35%	0.349	S	S	.	.	S	Bend	trans	70	10.7	171.4	0	0	0	0	0	115.3	F92 P96	F92-G94 PolarHBondContact O-N 3.19Å; G94-P96 WeakPolarHBondContact O-CD 3.27Å
95	K	84.7	Confident	76.9	Confident	134 Å²	134	63 Å²	63	58%	0.583	34%	0.335	S	S	*	.			trans	-120.9	79.5	-175.6	-64.3	-178.4	179.2	-179.2	0	110.7	H93 E97 K98	H93-K95 PolarHBondContact CE1-O 3.26Å; H93-K95 PolarHBondContact ND1-N 2.99Å; H93-K95 PolarHBondContact O-N 3.26Å; H93-K95 VanDerWaalsContact O-N 3.16Å; K95-E97 PolarHBondContact O-N 3.44Å; K95-E97 VanDerWaalsContact O-N 3.11Å; K95-K98 HydrophobicContact CB-CB 4.23Å; K95-K98 WeakPolarHBondContact O-CB 3.41Å; K95-K98 PolarHBondContact O-N 3.46Å
96	P	85.2	Confident	77.7	Confident	12 Å²	12	58.1 Å²	58.1	8%	0.078	31%	0.306	C	S	.	.	H	α-helix	trans	-59.4	-24.6	-176.5	28.1	-36.4	0	0	0	113	F45 A49 G94 K98 V99 F100	F45-P96 HydrophobicContact CD1-CB 3.7Å; F45-P96 HydrophobicContact CD1-CG 3.88Å; F45-P96 HydrophobicContact CE1-CB 3.61Å; F45-P96 HydrophobicContact CE1-CG 3.95Å; F45-P96 HydrophobicContact CZ-CB 4.49Å; A49-P96 HydrophobicContact CB-CB 3.55Å; G94-P96 WeakPolarHBondContact O-CD 3.27Å; P96-K98 PolarHBondContact O-N 3.49Å; P96-V99 PolarHBondContact O-N 2.89Å; P96-F100 WeakPolarHBondContact O-CB 3.49Å; P96-F100 PolarHBondContact O-N 2.84Å; P96-F100 VanDerWaalsContact O-N 3.07Å
97	E	84.2	Confident	77.9	Confident	109 Å²	109	57.6 Å²	57.6	51%	0.509	31%	0.312	S	S	.	.	H	α-helix	trans	-62.9	-30.5	175	-51.3	81.2	-174.9	0	0	112.3	K95 H101	K95-E97 PolarHBondContact O-N 3.44Å; K95-E97 VanDerWaalsContact O-N 3.11Å; E97-H101 VanDerWaalsContact O-CB 3.26Å; E97-H101 WeakPolarHBondContact O-CB 3.27Å; E97-H101 PolarHBondContact O-N 2.93Å
98	K	85.7	Confident	78.1	Confident	118 Å²	118	60.3 Å²	60.3	51%	0.513	33%	0.325	S	S	.	.	H	α-helix	trans	-69.2	-46.7	178.5	-172.9	-169.8	172.8	-162.7	0	111.1	K95 P96 F100 H101 E102	K95-K98 HydrophobicContact CB-CB 4.23Å; K95-K98 WeakPolarHBondContact O-CB 3.41Å; K95-K98 PolarHBondContact O-N 3.46Å; P96-K98 PolarHBondContact O-N 3.49Å; K98-F100 VanDerWaalsContact C-N 3.28Å; K98-F100 PolarHBondContact O-N 2.82Å; K98-H101 PolarHBondContact O-N 2.83Å; K98-E102 WeakPolarHBondContact O-CB 3.5Å; K98-E102 PolarHBondContact O-N 2.83Å
99	V	85.6	Confident	78.1	Confident	5 Å²	5	55.1 Å²	55.1	3%	0.03	29%	0.294	C	S	.	.	H	α-helix	trans	-61.6	-42.4	176.8	-175.1	0	0	0	0	110	Y24 A49 F52 D53 F92 P96 E102 F103	Y24-V99 WeakPolarHBondContact OH-CG1 3.4Å; A49-V99 HydrophobicContact CB-CB 4.24Å; A49-V99 HydrophobicContact CB-CG2 4.33Å; F52-V99 HydrophobicContact CD1-CG1 3.7Å; F52-V99 HydrophobicContact CE1-CG1 4.36Å; D53-V99 HydrophobicContact CB-CG2 4.37Å; F92-V99 HydrophobicContact CE2-CG2 3.86Å; F92-V99 HydrophobicContact CZ-CG2 4.2Å; P96-V99 PolarHBondContact O-N 2.89Å; V99-E102 PolarHBondContact O-N 2.91Å; V99-F103 WeakPolarHBondContact O-CB 3.39Å; V99-F103 PolarHBondContact O-N 2.59Å
100	F	85.9	Confident	77.6	Confident	3 Å²	3	55 Å²	55	1%	0.013	29%	0.287	C	S	.	.	H	α-helix	trans	-61.4	-48.6	176	-174.8	-91.5	0	0	0	112	Y24 A28 L29 H32 F45 P96 K98 E102 F103 F104 P109 F110	Y24-F100 PolarHBondContact OH-N 2.79Å; A28-F100 HydrophobicContact CB-CD2 4.16Å; A28-F100 HydrophobicContact CB-CE2 4.29Å; L29-F100 HydrophobicContact CD2-CE2 4.44Å; L29-F100 HydrophobicContact CD2-CZ 4.39Å; H32-F100 AromaticContact CD2-CD2 3.95Å; H32-F100 AromaticContact CD2-CE1 3.94Å; H32-F100 AromaticContact CD2-CE2 3.56Å; H32-F100 AromaticContact CD2-CZ 3.53Å; H32-F100 AromaticContact NE2-CE1 3.71Å; H32-F100 AromaticContact NE2-CZ 3.78Å; F45-F100 AromaticContact CE2-CD2 3.73Å; F45-F100 HydrophobicContact CE2-CD2 3.73Å; F45-F100 HydrophobicContact CE2-CE2 4.27Å; F45-F100 HydrophobicContact CE2-CG 4.45Å; F45-F100 HydrophobicContact CZ-CB 3.87Å; F45-F100 AromaticContact CZ-CD2 3.7Å; F45-F100 HydrophobicContact CZ-CD2 3.7Å; F45-F100 HydrophobicContact CZ-CE2 4.45Å; F45-F100 AromaticContact CZ-CG 3.96Å; F45-F100 HydrophobicContact CZ-CG 3.96Å; P96-F100 WeakPolarHBondContact O-CB 3.49Å; P96-F100 PolarHBondContact O-N 2.84Å; P96-F100 VanDerWaalsContact O-N 3.07Å; K98-F100 VanDerWaalsContact C-N 3.28Å; K98-F100 PolarHBondContact O-N 2.82Å; F100-E102 VanDerWaalsContact C-N 3.31Å; F100-E102 PolarHBondContact O-N 2.98Å; F100-F103 PolarHBondContact O-N 3.43Å; F100-F104 HydrophobicContact CD1-CD2 4.08Å; F100-F104 AromaticContact CD2-CD2 3.56Å; F100-F104 HydrophobicContact CD2-CD2 3.56Å; F100-F104 AromaticContact CD2-CE2 3.5Å; F100-F104 HydrophobicContact CD2-CE2 3.5Å; F100-F104 HydrophobicContact CE1-CD2 4.05Å; F100-F104 AromaticContact CE2-CD2 3.53Å; F100-F104 HydrophobicContact CE2-CD2 3.53Å; F100-F104 AromaticContact CE2-CE2 3.34Å; F100-F104 HydrophobicContact CE2-CE2 3.34Å; F100-F104 HydrophobicContact CE2-CZ 4.24Å; F100-F104 AromaticContact CG-CD2 3.86Å; F100-F104 HydrophobicContact CG-CD2 3.86Å; F100-F104 HydrophobicContact CG-CE2 4.27Å; F100-F104 AromaticContact CZ-CD2 3.8Å; F100-F104 HydrophobicContact CZ-CD2 3.8Å; F100-F104 AromaticContact CZ-CE2 3.99Å; F100-F104 HydrophobicContact CZ-CE2 3.99Å; F100-F104 WeakPolarHBondContact O-CB 3.37Å; F100-F104 VanDerWaalsContact O-CD2 3.32Å; F100-F104 WeakPolarHBondContact O-CD2 3.41Å; F100-F104 PolarHBondContact O-N 2.86Å; F100-P109 HydrophobicContact CE1-CG 3.58Å; F100-P109 HydrophobicContact CE2-CG 4.26Å; F100-P109 HydrophobicContact CZ-CG 3.24Å; F100-F110 HydrophobicContact CE1-CE2 4.34Å; F100-F110 HydrophobicContact CE2-CZ 4.3Å; F100-F110 AromaticContact CZ-CE2 3.74Å; F100-F110 HydrophobicContact CZ-CE2 3.74Å; F100-F110 AromaticContact CZ-CZ 3.73Å; F100-F110 HydrophobicContact CZ-CZ 3.73Å
101	H	82.3	Confident	76.5	Confident	70 Å²	70	57.3 Å²	57.3	32%	0.324	31%	0.307	S	S	.	.	H	α-helix	trans	-61	-41.3	177.9	-174.2	92.4	0	0	0	112	E97 K98 G105 G106 N107	E97-H101 VanDerWaalsContact O-CB 3.26Å; E97-H101 WeakPolarHBondContact O-CB 3.27Å; E97-H101 PolarHBondContact O-N 2.93Å; K98-H101 PolarHBondContact O-N 2.83Å; H101-G105 WeakPolarHBondContact O-CA 3.45Å; H101-G105 PolarHBondContact O-N 2.84Å; H101-G106 PolarHBondContact O-N 3.31Å; H101-N107 PolarHBondContact ND1-OD1 2.82Å
102	E	83.6	Confident	75.3	Confident	136 Å²	136	52.4 Å²	52.4	64%	0.636	28%	0.276	S	S	*	.	H	α-helix	trans	-66.5	-40.5	178.4	-174.6	167.5	179.2	0	0	112.1	K98 V99 F100	K98-E102 WeakPolarHBondContact O-CB 3.5Å; K98-E102 PolarHBondContact O-N 2.83Å; V99-E102 PolarHBondContact O-N 2.91Å; F100-E102 VanDerWaalsContact C-N 3.31Å; F100-E102 PolarHBondContact O-N 2.98Å
103	F	84.3	Confident	74.1	Confident	9 Å²	9	52.6 Å²	52.6	4%	0.039	28%	0.277	C	S	.	.	H	α-helix	trans	-70.4	-45.5	178.1	-175.7	-91.4	0	0	0	113.1	K21 Y24 R25 F52 V99 F100 S172 S173	K21-F103 HydrophobicContact CB-CE2 3.97Å; K21-F103 HydrophobicContact CB-CZ 4.24Å; K21-F103 HydrophobicContact CG-CE2 4.05Å; K21-F103 WeakPolarHBondContact O-CZ 3.45Å; Y24-F103 HydrophobicContact CD1-CB 4.41Å; Y24-F103 HydrophobicContact CD1-CD1 4.01Å; Y24-F103 AromaticContact CD1-CD2 3.72Å; Y24-F103 HydrophobicContact CD1-CD2 3.72Å; Y24-F103 HydrophobicContact CD1-CE1 4.18Å; Y24-F103 AromaticContact CD1-CE2 3.88Å; Y24-F103 HydrophobicContact CD1-CE2 3.88Å; Y24-F103 AromaticContact CD1-CG 3.77Å; Y24-F103 HydrophobicContact CD1-CG 3.77Å; Y24-F103 HydrophobicContact CD1-CZ 4.12Å; Y24-F103 HydrophobicContact CE1-CB 3.74Å; Y24-F103 AromaticContact CE1-CD1 3.93Å; Y24-F103 HydrophobicContact CE1-CD1 3.93Å; Y24-F103 AromaticContact CE1-CD2 3.92Å; Y24-F103 HydrophobicContact CE1-CD2 3.92Å; Y24-F103 AromaticContact CE1-CG 3.58Å; Y24-F103 HydrophobicContact CE1-CG 3.58Å; R25-F103 HydrophobicContact CB-CE1 3.73Å; R25-F103 HydrophobicContact CB-CZ 3.86Å; R25-F103 HydrophobicContact CG-CE1 4.01Å; F52-F103 HydrophobicContact CE1-CB 4.46Å; F52-F103 AromaticContact CE1-CD2 3.56Å; F52-F103 HydrophobicContact CE1-CD2 3.56Å; F52-F103 HydrophobicContact CE1-CE2 4.24Å; F52-F103 HydrophobicContact CE1-CG 4.38Å; F52-F103 HydrophobicContact CE2-CD2 4.19Å; F52-F103 HydrophobicContact CE2-CE2 4.04Å; F52-F103 AromaticContact CZ-CD2 3.34Å; F52-F103 HydrophobicContact CZ-CD2 3.34Å; F52-F103 AromaticContact CZ-CE2 3.58Å; F52-F103 HydrophobicContact CZ-CE2 3.58Å; F52-F103 HydrophobicContact CZ-CG 4.49Å; V99-F103 WeakPolarHBondContact O-CB 3.39Å; V99-F103 PolarHBondContact O-N 2.59Å; F100-F103 PolarHBondContact O-N 3.43Å; F103-S172 WeakPolarHBondContact O-CA 3.3Å; F103-S173 PolarHBondContact O-N 2.66Å; F103-S173 VanDerWaalsContact O-N 3.08Å
104	F	80.9	Confident	73	Confident	8 Å²	8	51 Å²	51	4%	0.035	27%	0.269	C	S	.	.	H	α-helix	trans	-92.8	-6	-174.7	-71.1	-76.2	0	0	0	113.9	R25 A28 L29 F100 G106 P109 R164	R25-F104 HydrophobicContact CB-CZ 4.43Å; R25-F104 HydrophobicContact CG-CE1 3.87Å; R25-F104 HydrophobicContact CG-CZ 3.91Å; A28-F104 HydrophobicContact CB-CE2 4.24Å; L29-F104 HydrophobicContact CD1-CE1 4.27Å; L29-F104 HydrophobicContact CD1-CZ 4.28Å; L29-F104 HydrophobicContact CD2-CE1 4.23Å; L29-F104 HydrophobicContact CD2-CZ 4.03Å; L29-F104 HydrophobicContact CG-CE1 4.26Å; L29-F104 HydrophobicContact CG-CZ 3.87Å; F100-F104 HydrophobicContact CD1-CD2 4.08Å; F100-F104 AromaticContact CD2-CD2 3.56Å; F100-F104 HydrophobicContact CD2-CD2 3.56Å; F100-F104 AromaticContact CD2-CE2 3.5Å; F100-F104 HydrophobicContact CD2-CE2 3.5Å; F100-F104 HydrophobicContact CE1-CD2 4.05Å; F100-F104 AromaticContact CE2-CD2 3.53Å; F100-F104 HydrophobicContact CE2-CD2 3.53Å; F100-F104 AromaticContact CE2-CE2 3.34Å; F100-F104 HydrophobicContact CE2-CE2 3.34Å; F100-F104 HydrophobicContact CE2-CZ 4.24Å; F100-F104 AromaticContact CG-CD2 3.86Å; F100-F104 HydrophobicContact CG-CD2 3.86Å; F100-F104 HydrophobicContact CG-CE2 4.27Å; F100-F104 AromaticContact CZ-CD2 3.8Å; F100-F104 HydrophobicContact CZ-CD2 3.8Å; F100-F104 AromaticContact CZ-CE2 3.99Å; F100-F104 HydrophobicContact CZ-CE2 3.99Å; F100-F104 WeakPolarHBondContact O-CB 3.37Å; F100-F104 VanDerWaalsContact O-CD2 3.32Å; F100-F104 WeakPolarHBondContact O-CD2 3.41Å; F100-F104 PolarHBondContact O-N 2.86Å; F104-G106 VanDerWaalsContact C-N 3.26Å; F104-G106 PolarHBondContact O-N 2.88Å; F104-P109 HydrophobicContact CB-CB 4.17Å; F104-P109 HydrophobicContact CB-CG 4.22Å; F104-P109 HydrophobicContact CD1-CB 3.66Å; F104-P109 HydrophobicContact CD1-CG 4.02Å; F104-P109 HydrophobicContact CD2-CG 4.28Å; F104-P109 HydrophobicContact CE1-CB 4.22Å; F104-P109 HydrophobicContact CE1-CG 4.46Å; F104-P109 HydrophobicContact CG-CB 3.97Å; F104-P109 HydrophobicContact CG-CG 3.92Å; F104-R164 WeakPolarHBondContact O-CD 3.47Å
105	G	70.3	Confident	71.9	Confident	10 Å²	10	51 Å²	51	10%	0.103	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	29.1	-177	0	0	0	0	0	113.9	H101 S173 I175	H101-G105 WeakPolarHBondContact O-CA 3.45Å; H101-G105 PolarHBondContact O-N 2.84Å; G105-S173 PolarHBondContact N-O 3.12Å; G105-I175 WeakPolarHBondContact O-CD1 2.85Å; G105-I175 VanDerWaalsContact O-CG1 3.3Å; G105-I175 WeakPolarHBondContact O-CG1 3.32Å
106	G	71.4	Confident	70.1	Confident	14 Å²	14	49.4 Å²	49.4	14%	0.144	27%	0.269	C	S	.	.	S	Bend	trans	167.3	174.2	-176.8	0	0	0	0	0	114.8	H101 F104	H101-G106 PolarHBondContact O-N 3.31Å; F104-G106 VanDerWaalsContact C-N 3.26Å; F104-G106 PolarHBondContact O-N 2.88Å
107	N	59.7	Low	68.4	Low	114 Å²	114	54.8 Å²	54.8	61%	0.61	29%	0.293	S	S	*	.	S	Bend	trans	-93.8	-11.5	-175.2	-67.1	-17.9	0	0	0	114.6	H101	H101-N107 PolarHBondContact ND1-OD1 2.82Å
108	N	61.6	Low	66.7	Low	92 Å²	92	52.1 Å²	52.1	49%	0.492	30%	0.296	S	S	.	.			trans	-132.5	77.3	-178.6	-167.3	14.1	0	0	0	112.6	F110	N108-F110 VanDerWaalsContact C-N 3.26Å; N108-F110 PolarHBondContact OD1-N 2.81Å
109	P	64.3	Low	65	Low	2 Å²	2	53.9 Å²	53.9	1%	0.013	30%	0.299	C	S	.	.			trans	-81.1	-3.8	169.2	33.3	-33.9	0	0	0	112.8	L29 F100 F104 F113	L29-P109 HydrophobicContact CD2-CB 4.22Å; L29-P109 HydrophobicContact CD2-CG 3.79Å; F100-P109 HydrophobicContact CE1-CG 3.58Å; F100-P109 HydrophobicContact CE2-CG 4.26Å; F100-P109 HydrophobicContact CZ-CG 3.24Å; F104-P109 HydrophobicContact CB-CB 4.17Å; F104-P109 HydrophobicContact CB-CG 4.22Å; F104-P109 HydrophobicContact CD1-CB 3.66Å; F104-P109 HydrophobicContact CD1-CG 4.02Å; F104-P109 HydrophobicContact CD2-CG 4.28Å; F104-P109 HydrophobicContact CE1-CB 4.22Å; F104-P109 HydrophobicContact CE1-CG 4.46Å; F104-P109 HydrophobicContact CG-CB 3.97Å; F104-P109 HydrophobicContact CG-CG 3.92Å; P109-F113 WeakPolarHBondContact O-CD2 3.44Å
110	F	61.5	Low	63.3	Low	19 Å²	19	59.7 Å²	59.7	8%	0.083	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-75.1	-26.7	-172.8	-61.6	-80.1	0	0	0	113.8	L29 H32 L34 K35 F100 N108 E112 F113 F114	L29-F110 HydrophobicContact CB-CE1 4.35Å; L29-F110 HydrophobicContact CD2-CD1 4.09Å; L29-F110 HydrophobicContact CD2-CE1 3.6Å; L29-F110 HydrophobicContact CD2-CZ 3.87Å; H32-F110 HydrophobicContact CB-CE1 3.83Å; H32-F110 HydrophobicContact CB-CE2 4.19Å; H32-F110 HydrophobicContact CB-CZ 3.26Å; H32-F110 AromaticContact CD2-CZ 3.8Å; H32-F110 AromaticContact CE1-CE2 3.67Å; H32-F110 AromaticContact CG-CE2 3.65Å; H32-F110 AromaticContact CG-CZ 3.2Å; H32-F110 AromaticContact ND1-CE2 3.36Å; H32-F110 WeakPolarHBondContact ND1-CE2 3.48Å; H32-F110 AromaticContact ND1-CZ 3.37Å; H32-F110 WeakPolarHBondContact ND1-CZ 3.08Å; L34-F110 HydrophobicContact CD1-CD2 4.39Å; L34-F110 HydrophobicContact CD1-CE2 4.37Å; K35-F110 HydrophobicContact CB-CE1 4.39Å; F100-F110 HydrophobicContact CE1-CE2 4.34Å; F100-F110 HydrophobicContact CE2-CZ 4.3Å; F100-F110 AromaticContact CZ-CE2 3.74Å; F100-F110 HydrophobicContact CZ-CE2 3.74Å; F100-F110 AromaticContact CZ-CZ 3.73Å; F100-F110 HydrophobicContact CZ-CZ 3.73Å; N108-F110 VanDerWaalsContact C-N 3.26Å; N108-F110 PolarHBondContact OD1-N 2.81Å; F110-E112 PolarHBondContact O-N 3.37Å; F110-F113 PolarHBondContact O-N 2.86Å; F110-F114 HydrophobicContact CB-CD2 4.18Å; F110-F114 HydrophobicContact CD1-CD2 4.12Å; F110-F114 AromaticContact CD1-CE2 3.91Å; F110-F114 HydrophobicContact CD1-CE2 3.91Å; F110-F114 WeakPolarHBondContact O-CD2 3.37Å; F110-F114 PolarHBondContact O-N 2.72Å; F110-F114 VanDerWaalsContact O-N 3.11Å
111	S	57.9	Low	61.5	Low	78 Å²	78	63 Å²	63	55%	0.545	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-60.7	-15.8	177.5	56.8	0	0	0	0	113.7
112	E	55.5	Low	59.6	Low	24 Å²	24	66.5 Å²	66.5	11%	0.112	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-89.9	-14.1	178.4	-41	-168.3	165.9	0	0	113.5	F110 R164 P204 I206	F110-E112 PolarHBondContact O-N 3.37Å; E112-R164 IonicContact OE1-CZ 3.04Å; E112-R164 IonicContact OE1-NH2 2.59Å; E112-R164 PolarHBondContact OE1-NH2 3.03Å; E112-P204 WeakPolarHBondContact OE2-CD 3.2Å; E112-I206 HydrophobicContact CB-CD1 4.15Å; E112-I206 HydrophobicContact CG-CD1 3.53Å
113	F	56.2	Low	57.7	Low	29 Å²	29	62.6 Å²	62.6	13%	0.127	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125	-11.3	-168.9	-68.8	-78.4	0	0	0	114.3	R25 L29 P109 F110 V121 L123	R25-F113 VanDerWaalsContact NH2-CZ 3.34Å; L29-F113 HydrophobicContact CD1-CD2 3.88Å; L29-F113 HydrophobicContact CD1-CE2 3.84Å; L29-F113 HydrophobicContact CD1-CG 4.33Å; L29-F113 HydrophobicContact CD1-CZ 4.24Å; P109-F113 WeakPolarHBondContact O-CD2 3.44Å; F110-F113 PolarHBondContact O-N 2.86Å; F113-V121 VanDerWaalsContact C-CG2 3.48Å; F113-V121 VanDerWaalsContact O-CG2 3.24Å; F113-V121 WeakPolarHBondContact O-CG2 3.34Å; F113-L123 HydrophobicContact CD1-CD1 4.11Å; F113-L123 HydrophobicContact CE1-CD1 4.39Å
114	F	54.3	Low	55.5	Low	35 Å²	35	68.6 Å²	68.6	15%	0.154	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-135	138.2	-178.4	-58.5	-89.5	0	0	0	109.1	K35 F110 R119 E120	K35-F114 HydrophobicContact CD-CE1 3.99Å; K35-F114 HydrophobicContact CD-CE2 4.26Å; K35-F114 HydrophobicContact CD-CZ 3.59Å; K35-F114 HydrophobicContact CG-CZ 4.48Å; K35-F114 VanDerWaalsContact NZ-CZ 3.28Å; F110-F114 HydrophobicContact CB-CD2 4.18Å; F110-F114 HydrophobicContact CD1-CD2 4.12Å; F110-F114 AromaticContact CD1-CE2 3.91Å; F110-F114 HydrophobicContact CD1-CE2 3.91Å; F110-F114 WeakPolarHBondContact O-CD2 3.37Å; F110-F114 PolarHBondContact O-N 2.72Å; F110-F114 VanDerWaalsContact O-N 3.11Å; F114-R119 WeakPolarHBondContact CA-O 3.37Å; F114-E120 HydrophobicContact CD1-CG 3.93Å; F114-E120 HydrophobicContact CE1-CB 4.41Å; F114-E120 HydrophobicContact CE1-CG 3.31Å; F114-E120 HydrophobicContact CZ-CG 4.15Å
115	D	55	Low	53.7	Low	50 Å²	50	73.8 Å²	73.8	27%	0.267	41%	0.406	S	S	.	.			trans	-72.2	176.1	173.7	66.9	13.2	0	0	0	111.8	E117 G118 R119	D115-E117 PolarHBondContact O-N 3.23Å; D115-E117 VanDerWaalsContact O-N 3.09Å; D115-E117 VanDerWaalsContact OD1-C 3.28Å; D115-E117 WeakPolarHBondContact OD1-CA 3.39Å; D115-E117 PolarHBondContact OD1-N 3.12Å; D115-E117 VanDerWaalsContact OD1-N 3.11Å; D115-G118 PolarHBondContact O-N 2.86Å; D115-G118 PolarHBondContact OD1-N 2.91Å; D115-R119 PolarHBondContact N-O 2.81Å; D115-R119 VanDerWaalsContact N-O 3.1Å; D115-R119 WeakPolarHBondContact OD1-CB 3.26Å; D115-R119 PolarHBondContact OD1-N 2.84Å; D115-R119 IonicContact OD2-NE 2.93Å
116	A	48	Very low	52.4	Low	100 Å²	100	77 Å²	77	83%	0.826	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.1	-179.3	0	0	0	0	0	112.8
117	E	47.9	Very low	50.5	Low	125 Å²	125	78.8 Å²	78.8	58%	0.584	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	7.6	177.7	-61.6	77.5	-165.6	0	0	112.6	D115 R119	D115-E117 PolarHBondContact O-N 3.23Å; D115-E117 VanDerWaalsContact O-N 3.09Å; D115-E117 VanDerWaalsContact OD1-C 3.28Å; D115-E117 WeakPolarHBondContact OD1-CA 3.39Å; D115-E117 PolarHBondContact OD1-N 3.12Å; D115-E117 VanDerWaalsContact OD1-N 3.11Å; E117-R119 HydrophobicContact CB-CG 4.5Å; E117-R119 PolarHBondContact O-N 2.82Å
118	G	48.7	Very low	49.4	Very low	54 Å²	54	82.4 Å²	82.4	56%	0.557	48%	0.476	S	S	*	.			trans	72.5	12	175.7	0	0	0	0	0	114.4	D115	D115-G118 PolarHBondContact O-N 2.86Å; D115-G118 PolarHBondContact OD1-N 2.91Å
119	R	49.7	Very low	48.1	Very low	155 Å²	155	87.5 Å²	87.5	59%	0.585	50%	0.496	S	S	*	.			trans	-80	140.6	176.5	-57.8	176.4	-119.7	171.3	2.8	109.1	F114 D115 E117 V121	F114-R119 WeakPolarHBondContact CA-O 3.37Å; D115-R119 PolarHBondContact N-O 2.81Å; D115-R119 VanDerWaalsContact N-O 3.1Å; D115-R119 WeakPolarHBondContact OD1-CB 3.26Å; D115-R119 PolarHBondContact OD1-N 2.84Å; D115-R119 IonicContact OD2-NE 2.93Å; E117-R119 HydrophobicContact CB-CG 4.5Å; E117-R119 PolarHBondContact O-N 2.82Å; R119-V121 PolarHBondContact O-N 2.68Å
120	E	49.7	Very low	47	Very low	127 Å²	127	90 Å²	90	59%	0.593	52%	0.523	S	S	*	.	B	Isolated β-bridge	trans	-60.2	111.1	167.2	-74.8	-179	169.6	0	0	107.4	K35 F114 D122	K35-E120 IonicContact NZ-OE1 3.51Å; K35-E120 PolarHBondContact NZ-OE1 2.83Å; F114-E120 HydrophobicContact CD1-CG 3.93Å; F114-E120 HydrophobicContact CE1-CB 4.41Å; F114-E120 HydrophobicContact CE1-CG 3.31Å; F114-E120 HydrophobicContact CZ-CG 4.15Å; E120-D122 PolarHBondContact O-N 3.11Å; E120-D122 VanDerWaalsContact O-N 3.12Å
121	V	49.9	Very low	46.3	Very low	72 Å²	72	100.3 Å²	100.3	44%	0.436	56%	0.562	S	S	.	*			trans	-64.1	116.5	160.8	-103.8	0	0	0	0	104.9	F113 R119 L123	F113-V121 VanDerWaalsContact C-CG2 3.48Å; F113-V121 VanDerWaalsContact O-CG2 3.24Å; F113-V121 WeakPolarHBondContact O-CG2 3.34Å; R119-V121 PolarHBondContact O-N 2.68Å; V121-L123 PolarHBondContact O-N 2.84Å
122	D	40.7	Very low	46.1	Very low	144 Å²	144	97.6 Å²	97.6	77%	0.77	55%	0.546	S	S	*	.			trans	-66.3	74	-172.9	-148.9	0.9	0	0	0	110.2	E120 N124	E120-D122 PolarHBondContact O-N 3.11Å; E120-D122 VanDerWaalsContact O-N 3.12Å; D122-N124 PolarHBondContact O-N 2.84Å; D122-N124 VanDerWaalsContact O-N 3.13Å
123	L	45.4	Very low	46.3	Very low	54 Å²	54	103.1 Å²	103.1	28%	0.283	58%	0.581	S	S	.	*			trans	-84.1	75.8	170.3	-69.3	171.2	0	0	0	105.7	F113 V121 F125	F113-L123 HydrophobicContact CD1-CD1 4.11Å; F113-L123 HydrophobicContact CE1-CD1 4.39Å; V121-L123 PolarHBondContact O-N 2.84Å; L123-F125 WeakPolarHBondContact O-CA 3.46Å; L123-F125 PolarHBondContact O-N 2.91Å
124	N	38	Very low	46.8	Very low	134 Å²	134	108 Å²	108	72%	0.717	60%	0.602	S	S	*	*			trans	-45.1	104.3	176.2	-123.8	-4.1	0	0	0	109.2	D122 G126	D122-N124 PolarHBondContact O-N 2.84Å; D122-N124 VanDerWaalsContact O-N 3.13Å; N124-G126 PolarHBondContact O-N 3.4Å
125	F	43.2	Very low	47.8	Very low	117 Å²	117	113.3 Å²	113.3	51%	0.513	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71	100	-159	-151	-98.2	0	0	0	108.4	R26 L123	R26-F125 HydrophobicContact CB-CE1 4.16Å; R26-F125 HydrophobicContact CB-CZ 3.94Å; R26-F125 HydrophobicContact CG-CE1 4.24Å; R26-F125 HydrophobicContact CG-CZ 4.18Å; L123-F125 WeakPolarHBondContact O-CA 3.46Å; L123-F125 PolarHBondContact O-N 2.91Å
126	G	41.8	Very low	49.1	Very low	79 Å²	79	114.9 Å²	114.9	81%	0.814	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	89.4	27.4	172.1	0	0	0	0	0	117.4	N124	N124-G126 PolarHBondContact O-N 3.4Å
127	G	32	Very low	50.6	Low	51 Å²	51	113.2 Å²	113.2	53%	0.526	61%	0.608	S	S	.	*			trans	-83.5	133.4	166.3	0	0	0	0	0	112.5	Q129 G130	G127-Q129 PolarHBondContact O-N 2.8Å; G127-G130 PolarHBondContact O-N 3.45Å
128	L	35.4	Very low	52.5	Low	189 Å²	189	112.2 Å²	112.2	99%	0.99	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55	6.6	179.5	-110.9	152.2	0	0	0	116.5
129	Q	35.4	Very low	54.6	Low	199 Å²	199	113 Å²	113	93%	0.93	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.4	32.3	-174.7	-144.4	163.5	1	0	0	114.3	G127	G127-Q129 PolarHBondContact O-N 2.8Å
130	G	40.7	Very low	56.7	Low	56 Å²	56	108.5 Å²	108.5	58%	0.577	60%	0.595	S	S	*	*			trans	-135.2	64	-179	0	0	0	0	0	113.4	G127 G132	G127-G130 PolarHBondContact O-N 3.45Å; G130-G132 PolarHBondContact O-N 2.83Å; G130-G132 VanDerWaalsContact O-N 3.09Å
131	R	46.9	Very low	58.9	Low	235 Å²	235	107.8 Å²	107.8	89%	0.887	59%	0.591	S	S	*	*			trans	-68.1	104.6	163.8	-81.8	-179.2	167.6	170.4	-1.7	107.2	V133	R131-V133 PolarHBondContact O-N 2.97Å
132	G	53.9	Low	61.1	Low	21 Å²	21	109.2 Å²	109.2	22%	0.216	59%	0.589	C	S	.	*			trans	-45.8	135.6	165.7	0	0	0	0	0	109.4	G130 K134	G130-G132 PolarHBondContact O-N 2.83Å; G130-G132 VanDerWaalsContact O-N 3.09Å; G132-K134 PolarHBondContact O-N 2.58Å
133	V	59.8	Low	63.8	Low	139 Å²	139	106 Å²	106	84%	0.842	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-57.9	118.8	-177.2	-179.9	0	0	0	0	107.6	R131 K135	R131-V133 PolarHBondContact O-N 2.97Å; V133-K135 PolarHBondContact O-N 2.66Å
134	K	66.8	Low	66.2	Low	133 Å²	133	104 Å²	104	58%	0.578	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-58.7	116	177.7	-70.4	-172	176.9	-172.1	0	108.6	G132 N205 I207	G132-K134 PolarHBondContact O-N 2.58Å; K134-N205 WeakPolarHBondContact CA-O 3.45Å; K134-I207 HydrophobicContact CB-CD1 3.78Å; K134-I207 HydrophobicContact CB-CG1 3.92Å; K134-I207 HydrophobicContact CD-CG1 4.26Å
135	K	75.8	Confident	69.1	Low	146 Å²	146	103.8 Å²	103.8	64%	0.635	55%	0.551	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.3	136.5	177.7	-173.1	178.2	174.6	-173.5	0	108.7	V133 N205 I206 I207	V133-K135 PolarHBondContact O-N 2.66Å; K135-N205 PolarHBondContact N-O 3.36Å; K135-I206 WeakPolarHBondContact O-CA 3.32Å; K135-I207 PolarHBondContact O-N 2.86Å
136	Q	80.9	Confident	71.7	Confident	83 Å²	83	98.2 Å²	98.2	39%	0.388	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.1	169.4	-169.1	170.8	-2.7	0	0	108.3	I207 D210	Q136-I207 HydrophobicContact CB-CB 3.96Å; Q136-I207 HydrophobicContact CB-CG2 4.22Å; Q136-I207 HydrophobicContact CG-CB 4.13Å; Q136-I207 HydrophobicContact CG-CG2 3.94Å; Q136-D210 PolarHBondContact NE2-OD1 2.68Å
137	D	80.4	Confident	74.3	Confident	65 Å²	65	95.7 Å²	95.7	35%	0.348	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-69.9	155.3	174.9	-75.5	-24.5	0	0	0	110.9	A209	D137-A209 HydrophobicContact CB-CB 4.1Å
138	P	87.9	Confident	77.4	Confident	104 Å²	104	93.4 Å²	93.4	68%	0.675	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-58.2	149.5	177.4	25.1	-34.8	0	0	0	111.4	A209	P138-A209 WeakPolarHBondContact O-CB 3.37Å
139	P	92.5	Very high	80.4	Confident	70 Å²	70	87.2 Å²	87.2	46%	0.455	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-58.8	140.6	179.6	-23.8	33.5	0	0	0	112.8	D210 I212	P139-D210 CarbonylContact C-O 3.55Å; P139-D210 WeakPolarHBondContact CA-O 3.37Å; P139-D210 HydrophobicContact CB-CB 4.47Å; P139-I212 HydrophobicContact CB-CD1 3.56Å; P139-I212 HydrophobicContact CB-CG1 4.1Å; P139-I212 HydrophobicContact CG-CD1 4.21Å
140	I	92.9	Very high	83.3	Confident	61 Å²	61	79.2 Å²	79.2	31%	0.313	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	110.6	177.1	-58.5	170.4	0	0	0	108.1	R142 A209 D210 I211 I212	I140-R142 HydrophobicContact CG2-CG 4.49Å; I140-A209 HydrophobicContact CD1-CB 4.29Å; I140-A209 HydrophobicContact CG1-CB 4.21Å; I140-D210 PolarHBondContact N-O 3.11Å; I140-I211 HydrophobicContact CB-CG1 4.44Å; I140-I211 WeakPolarHBondContact O-CA 3.34Å; I140-I212 PolarHBondContact O-N 3.12Å
141	E	95.9	Very high	86	Confident	111 Å²	111	76.5 Å²	76.5	52%	0.519	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	136.4	177	-58.2	-165.1	155.2	0	0	111.6	R193 I212 I214	E141-R193 IonicContact OE1-CZ 3.1Å; E141-R193 VanDerWaalsContact OE1-CZ 3.24Å; E141-R193 IonicContact OE1-NH1 2.68Å; E141-R193 PolarHBondContact OE1-NH1 3.05Å; E141-R193 IonicContact OE1-NH2 2.79Å; E141-R193 PolarHBondContact OE1-NH2 2.83Å; E141-I212 CarbonylContact C-O 3.38Å; E141-I212 WeakPolarHBondContact CA-O 3.48Å; E141-I214 HydrophobicContact CB-CD1 4.19Å; E141-I214 HydrophobicContact CG-CD1 4.36Å; E141-I214 WeakPolarHBondContact OE2-CD1 3.28Å
142	R	95.8	Very high	88.4	Confident	102 Å²	102	66.2 Å²	66.2	39%	0.385	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	139.4	174.8	-69.4	-164.8	171.7	133.2	1.3	111.5	I140 I212 F213 I214	I140-R142 HydrophobicContact CG2-CG 4.49Å; R142-I212 PolarHBondContact N-O 3.27Å; R142-F213 HydrophobicContact CB-CD1 3.87Å; R142-F213 HydrophobicContact CB-CE1 3.87Å; R142-F213 CarbonylContact O-C 3.55Å; R142-F213 VanDerWaalsContact O-CA 3.26Å; R142-F213 WeakPolarHBondContact O-CA 3.23Å; R142-I214 PolarHBondContact O-N 3.22Å
143	D	97.6	Very high	90.4	Very high	77 Å²	77	71 Å²	71	41%	0.412	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	132.4	175.6	-72.6	-23	0	0	0	111.4	Y145 K216	D143-Y145 HydrophobicContact CB-CD2 4.11Å; D143-Y145 HydrophobicContact CB-CE2 3.48Å; D143-Y145 VanDerWaalsContact CB-CE2 3.48Å; D143-Y145 PolarHBondContact OD2-OH 3.17Å; D143-Y145 VanDerWaalsContact OD2-OH 3.11Å; D143-K216 HydrophobicContact CB-CG 3.87Å; D143-K216 WeakPolarHBondContact OD1-CE 3.43Å
144	L	97.6	Very high	92.1	Very high	13 Å²	13	65.2 Å²	65.2	7%	0.068	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	98.2	172	177.5	58.7	0	0	0	109.6	L146 K157 I159 I182 F213 I214 K216	L144-L146 HydrophobicContact CD1-CD2 4.24Å; L144-L146 HydrophobicContact CD2-CD1 4.19Å; L144-L146 HydrophobicContact CD2-CD2 4.46Å; L144-L146 HydrophobicContact CD2-CG 4.45Å; L144-L146 HydrophobicContact CG-CD1 4.28Å; L144-L146 HydrophobicContact CG-CD2 4.11Å; L144-L146 HydrophobicContact CG-CG 4.03Å; L144-L146 PolarHBondContact O-N 3.05Å; L144-K157 HydrophobicContact CD1-CG 4.43Å; L144-I159 HydrophobicContact CD1-CD1 3.82Å; L144-I182 HydrophobicContact CD2-CD1 3.85Å; L144-I182 HydrophobicContact CD2-CG2 4.12Å; L144-F213 HydrophobicContact CB-CB 4.3Å; L144-I214 PolarHBondContact N-O 3.02Å; L144-K216 PolarHBondContact O-N 3.31Å
145	Y	97.4	Very high	93.5	Very high	128 Å²	128	60.3 Å²	60.3	50%	0.502	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	114.7	-179.7	-68.7	-85.8	0	0	0	111.9	D143 K216 K218	D143-Y145 HydrophobicContact CB-CD2 4.11Å; D143-Y145 HydrophobicContact CB-CE2 3.48Å; D143-Y145 VanDerWaalsContact CB-CE2 3.48Å; D143-Y145 PolarHBondContact OD2-OH 3.17Å; D143-Y145 VanDerWaalsContact OD2-OH 3.11Å; Y145-K216 CarbonylContact C-O 3.6Å; Y145-K216 WeakPolarHBondContact CA-O 3.32Å; Y145-K216 HydrophobicContact CD1-CB 3.71Å; Y145-K216 HydrophobicContact CE1-CB 3.77Å; Y145-K216 HydrophobicContact CE1-CG 4.25Å; Y145-K216 HydrophobicContact CG-CB 4.28Å; Y145-K218 WeakPolarHBondContact O-CE 3.42Å
146	L	97.8	Very high	94.6	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	144.5	179.9	-61	175.5	0	0	0	110.7	L144 D150 L151 K157 V184 V215 K216 K218	L144-L146 HydrophobicContact CD1-CD2 4.24Å; L144-L146 HydrophobicContact CD2-CD1 4.19Å; L144-L146 HydrophobicContact CD2-CD2 4.46Å; L144-L146 HydrophobicContact CD2-CG 4.45Å; L144-L146 HydrophobicContact CG-CD1 4.28Å; L144-L146 HydrophobicContact CG-CD2 4.11Å; L144-L146 HydrophobicContact CG-CG 4.03Å; L144-L146 PolarHBondContact O-N 3.05Å; L146-D150 HydrophobicContact CB-CB 4.15Å; L146-D150 HydrophobicContact CD2-CB 4.33Å; L146-L151 HydrophobicContact CB-CD1 4.31Å; L146-L151 HydrophobicContact CB-CD2 4.11Å; L146-L151 HydrophobicContact CB-CG 3.99Å; L146-L151 HydrophobicContact CD1-CD2 3.62Å; L146-L151 HydrophobicContact CD1-CG 4.41Å; L146-K157 HydrophobicContact CD2-CD 4.24Å; L146-K157 HydrophobicContact CD2-CG 3.83Å; L146-V184 HydrophobicContact CD1-CB 4.41Å; L146-V184 HydrophobicContact CD1-CG1 3.77Å; L146-V184 HydrophobicContact CD1-CG2 3.71Å; L146-V184 HydrophobicContact CD2-CG2 4.22Å; L146-V215 HydrophobicContact CD1-CG1 4Å; L146-V215 HydrophobicContact CD1-CG2 4.23Å; L146-K216 PolarHBondContact N-O 2.6Å; L146-K218 PolarHBondContact O-N 2.89Å
147	S	97.4	Very high	95.3	Very high	27 Å²	27	56 Å²	56	19%	0.189	29%	0.289	C	S	.	.			trans	-79.3	167.5	171.5	80.6	0	0	0	0	111.2	E149 D150 L151	S147-E149 WeakPolarHBondContact CB-OE2 3.45Å; S147-E149 PolarHBondContact O-N 3.48Å; S147-E149 PolarHBondContact OG-N 3.32Å; S147-E149 PolarHBondContact OG-OE2 3.19Å; S147-D150 PolarHBondContact N-OD2 2.93Å; S147-D150 WeakPolarHBondContact O-CB 3.45Å; S147-D150 PolarHBondContact O-N 2.99Å; S147-D150 PolarHBondContact OG-N 3.02Å; S147-L151 WeakPolarHBondContact O-CG 3.48Å; S147-L151 PolarHBondContact O-N 3.14Å; S147-L151 VanDerWaalsContact O-N 3.14Å
148	L	97.6	Very high	96.1	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-64.7	-32.3	175.3	-66.4	-177.1	0	0	0	111.6	L151 F152 H220 F223 R225 L230 L252	L148-L151 CarbonylContact O-C 3.54Å; L148-L151 PolarHBondContact O-N 2.89Å; L148-F152 WeakPolarHBondContact O-CB 3.36Å; L148-F152 PolarHBondContact O-N 2.9Å; L148-H220 HydrophobicContact CD1-CB 3.57Å; L148-H220 HydrophobicContact CG-CB 3.99Å; L148-F223 HydrophobicContact CD1-CB 3.91Å; L148-R225 HydrophobicContact CD1-CB 4.47Å; L148-R225 HydrophobicContact CD2-CB 3.76Å; L148-R225 HydrophobicContact CD2-CG 4.44Å; L148-L230 HydrophobicContact CD1-CD2 4.18Å; L148-L252 HydrophobicContact CB-CD1 3.92Å; L148-L252 HydrophobicContact CB-CD2 3.99Å
149	E	97	Very high	96.4	Very high	58 Å²	58	57.1 Å²	57.1	27%	0.271	28%	0.281	S	S	.	.	H	α-helix	trans	-65.8	-44.7	174.8	-55.2	80.9	179.2	0	0	111.5	S147 L151 F152 F153 H220 L252	S147-E149 WeakPolarHBondContact CB-OE2 3.45Å; S147-E149 PolarHBondContact O-N 3.48Å; S147-E149 PolarHBondContact OG-N 3.32Å; S147-E149 PolarHBondContact OG-OE2 3.19Å; E149-L151 PolarHBondContact O-N 3.43Å; E149-F152 PolarHBondContact O-N 2.81Å; E149-F152 VanDerWaalsContact O-N 3.12Å; E149-F153 WeakPolarHBondContact O-CD2 3.5Å; E149-F153 PolarHBondContact O-N 2.78Å; E149-H220 IonicContact OE1-CD2 2.98Å; E149-H220 PolarHBondContact OE1-CD2 3.48Å; E149-H220 IonicContact OE1-NE2 2.98Å; E149-H220 PolarHBondContact OE1-NE2 2.99Å; E149-H220 VanDerWaalsContact OE1-NE2 3.1Å; E149-L252 HydrophobicContact CG-CD2 4.23Å
150	D	97.3	Very high	96.6	Very high	31 Å²	31	60.3 Å²	60.3	17%	0.166	29%	0.288	C	S	.	.	H	α-helix	trans	-55.9	-41.3	173.9	-79.5	-40.2	0	0	0	110.9	L146 S147 G154 C155 K157	L146-D150 HydrophobicContact CB-CB 4.15Å; L146-D150 HydrophobicContact CD2-CB 4.33Å; S147-D150 PolarHBondContact N-OD2 2.93Å; S147-D150 WeakPolarHBondContact O-CB 3.45Å; S147-D150 PolarHBondContact O-N 2.99Å; S147-D150 PolarHBondContact OG-N 3.02Å; D150-G154 CarbonylContact O-C 3.55Å; D150-G154 WeakPolarHBondContact O-CA 3.01Å; D150-G154 PolarHBondContact O-N 2.86Å; D150-C155 PolarHBondContact OD1-SG 2.81Å; D150-K157 IonicContact OD1-NZ 3.63Å; D150-K157 PolarHBondContact OD1-NZ 3.39Å; D150-K157 WeakPolarHBondContact OD2-CE 3.35Å; D150-K157 IonicContact OD2-NZ 3.72Å; D150-K157 PolarHBondContact OD2-NZ 3.21Å
151	L	97	Very high	96.6	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-79.4	-22.9	179.6	-65.4	171.6	0	0	0	113.2	L146 S147 L148 E149 V184 P186 G187 W188 V215 E217 M278	L146-L151 HydrophobicContact CB-CD1 4.31Å; L146-L151 HydrophobicContact CB-CD2 4.11Å; L146-L151 HydrophobicContact CB-CG 3.99Å; L146-L151 HydrophobicContact CD1-CD2 3.62Å; L146-L151 HydrophobicContact CD1-CG 4.41Å; S147-L151 WeakPolarHBondContact O-CG 3.48Å; S147-L151 PolarHBondContact O-N 3.14Å; S147-L151 VanDerWaalsContact O-N 3.14Å; L148-L151 CarbonylContact O-C 3.54Å; L148-L151 PolarHBondContact O-N 2.89Å; E149-L151 PolarHBondContact O-N 3.43Å; L151-V184 HydrophobicContact CD2-CG1 3.99Å; L151-P186 CarbonylContact O-C 3.6Å; L151-P186 WeakPolarHBondContact O-CA 3.45Å; L151-G187 PolarHBondContact O-N 3.32Å; L151-W188 HydrophobicContact CD2-CB 3.9Å; L151-V215 HydrophobicContact CD2-CG1 4.2Å; L151-E217 HydrophobicContact CD1-CG 3.69Å; L151-M278 HydrophobicContact CB-CE 3.73Å
152	F	97.2	Very high	96.4	Very high	18 Å²	18	55.7 Å²	55.7	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-80.1	-44.6	178.9	-177.1	-85.5	0	0	0	111.3	L148 E149 L252 D253 M278 P279 K287	L148-F152 WeakPolarHBondContact O-CB 3.36Å; L148-F152 PolarHBondContact O-N 2.9Å; E149-F152 PolarHBondContact O-N 2.81Å; E149-F152 VanDerWaalsContact O-N 3.12Å; F152-L252 HydrophobicContact CB-CD1 4.1Å; F152-L252 HydrophobicContact CD2-CB 4.13Å; F152-L252 HydrophobicContact CD2-CD1 3.82Å; F152-L252 HydrophobicContact CE2-CB 4.44Å; F152-L252 HydrophobicContact CG-CB 4.15Å; F152-L252 HydrophobicContact CG-CD1 4.2Å; F152-D253 HydrophobicContact CE1-CB 3.88Å; F152-D253 HydrophobicContact CZ-CB 4.23Å; F152-M278 HydrophobicContact CB-CE 4.09Å; F152-M278 HydrophobicContact CB-SD 4.35Å; F152-M278 HydrophobicContact CD2-SD 4.09Å; F152-P279 HydrophobicContact CD2-CG 4.16Å; F152-P279 HydrophobicContact CE2-CG 4.47Å; F152-P279 HydrophobicContact CG-CG 4.41Å; F152-P279 WeakPolarHBondContact O-CG 3.41Å; F152-K287 HydrophobicContact CE2-CD 4.32Å; F152-K287 HydrophobicContact CZ-CD 4.43Å
153	F	96	Very high	96.1	Very high	121 Å²	121	52.7 Å²	52.7	53%	0.531	26%	0.262	S	S	.	.	H	α-helix	trans	-92.3	-19.2	-179.5	-66.7	-67.2	0	0	0	113.7	E149 D253	E149-F153 WeakPolarHBondContact O-CD2 3.5Å; E149-F153 PolarHBondContact O-N 2.78Å; F153-D253 HydrophobicContact CE1-CB 4.21Å; F153-D253 HydrophobicContact CZ-CB 3.69Å
154	G	95.8	Very high	95.6	Very high	19 Å²	19	50.3 Å²	50.3	20%	0.196	25%	0.247	C	C	.	.			trans	73.5	156.9	-160.3	0	0	0	0	0	111.1	D150 V184	D150-G154 CarbonylContact O-C 3.55Å; D150-G154 WeakPolarHBondContact O-CA 3.01Å; D150-G154 PolarHBondContact O-N 2.86Å; G154-V184 CarbonylContact C-O 3.58Å; G154-V184 WeakPolarHBondContact CA-O 3.42Å
155	C	96.6	Very high	95.2	Very high	29 Å²	29	50.5 Å²	50.5	20%	0.196	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	162.9	174.9	67.5	0	0	0	0	111.4	D150 K157 V184	D150-C155 PolarHBondContact OD1-SG 2.81Å; C155-K157 VanDerWaalsContact SG-CE 3.53Å; C155-V184 PolarHBondContact N-O 2.83Å; C155-V184 VanDerWaalsContact N-O 3.09Å; C155-V184 WeakPolarHBondContact O-CA 3.48Å; C155-V184 VanDerWaalsContact O-CB 3.23Å; C155-V184 WeakPolarHBondContact O-CB 3.3Å; C155-V184 PolarHBondContact O-N 3.49Å
156	T	97.2	Very high	94.6	Very high	81 Å²	81	46.8 Å²	46.8	50%	0.497	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	117.1	170.8	-60.5	0	0	0	0	109.5	T181 I182 D183	T156-T181 HydrophobicContact CG2-CG2 3.29Å; T156-I182 CarbonylContact C-O 3.54Å; T156-I182 WeakPolarHBondContact CA-O 3.29Å; T156-D183 WeakPolarHBondContact CB-OD1 3.1Å; T156-D183 VanDerWaalsContact CG2-OD1 3.24Å; T156-D183 WeakPolarHBondContact CG2-OD1 3.45Å; T156-D183 PolarHBondContact OG1-OD1 2.9Å
157	K	96.6	Very high	94	Very high	58 Å²	58	48.8 Å²	48.8	25%	0.252	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	128.1	172.1	-64.5	-55.7	-166.7	-159.3	0	110	L144 L146 D150 C155 I182 V184	L144-K157 HydrophobicContact CD1-CG 4.43Å; L146-K157 HydrophobicContact CD2-CD 4.24Å; L146-K157 HydrophobicContact CD2-CG 3.83Å; D150-K157 IonicContact OD1-NZ 3.63Å; D150-K157 PolarHBondContact OD1-NZ 3.39Å; D150-K157 WeakPolarHBondContact OD2-CE 3.35Å; D150-K157 IonicContact OD2-NZ 3.72Å; D150-K157 PolarHBondContact OD2-NZ 3.21Å; C155-K157 VanDerWaalsContact SG-CE 3.53Å; K157-I182 PolarHBondContact N-O 2.99Å; K157-I182 PolarHBondContact O-N 3.35Å; K157-V184 HydrophobicContact CG-CG2 4.32Å
158	K	96.7	Very high	93.3	Very high	156 Å²	156	57.5 Å²	57.5	68%	0.678	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	118	173.7	-69	-177.1	-178.2	-179.5	0	109	I179 L180 T181	K158-I179 HydrophobicContact CB-CG2 3.74Å; K158-I179 HydrophobicContact CD-CG2 4.39Å; K158-I179 HydrophobicContact CG-CG2 4.17Å; K158-L180 CarbonylContact C-O 3.56Å; K158-L180 WeakPolarHBondContact CA-O 3.35Å; K158-T181 HydrophobicContact CG-CG2 4.41Å
159	I	95.4	Very high	92.3	Very high	36 Å²	36	59.5 Å²	59.5	19%	0.185	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	120.9	-176.8	-56	177.3	0	0	0	108.3	L144 I161 I179 L180 I182 F213	L144-I159 HydrophobicContact CD1-CD1 3.82Å; I159-I161 HydrophobicContact CG2-CG2 4.48Å; I159-I179 WeakPolarHBondContact O-CA 3.23Å; I159-L180 PolarHBondContact N-O 3.45Å; I159-L180 PolarHBondContact O-N 2.9Å; I159-I182 HydrophobicContact CD1-CD1 3.57Å; I159-F213 HydrophobicContact CB-CE1 4.48Å; I159-F213 HydrophobicContact CB-CZ 4.23Å; I159-F213 HydrophobicContact CD1-CD1 3.71Å; I159-F213 HydrophobicContact CD1-CE1 3.4Å; I159-F213 VanDerWaalsContact CD1-CE1 3.4Å; I159-F213 HydrophobicContact CD1-CE2 4.41Å; I159-F213 HydrophobicContact CD1-CG 4.33Å; I159-F213 HydrophobicContact CD1-CZ 3.79Å; I159-F213 HydrophobicContact CG2-CE1 3.92Å; I159-F213 HydrophobicContact CG2-CZ 3.83Å
160	K	95.9	Very high	91.1	Very high	137 Å²	137	58.1 Å²	58.1	60%	0.596	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	124.3	173.6	-171.9	-178.8	179.9	-171.8	0	108.9	D177	K160-D177 WeakPolarHBondContact CE-OD1 3.48Å; K160-D177 WeakPolarHBondContact CE-OD2 3.44Å; K160-D177 HydrophobicContact CG-CB 4.45Å; K160-D177 IonicContact NZ-OD1 2.88Å; K160-D177 IonicContact NZ-OD2 3.71Å; K160-D177 PolarHBondContact NZ-OD2 3.11Å
161	I	93.8	Very high	89.9	Confident	3 Å²	3	59.7 Å²	59.7	2%	0.015	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	149.2	167.8	64.1	163.6	0	0	0	108.8	I159 D177 K178 L180 E199 I211 F213	I159-I161 HydrophobicContact CG2-CG2 4.48Å; I161-D177 CarbonylContact O-C 3.58Å; I161-D177 VanDerWaalsContact O-CA 3.32Å; I161-D177 WeakPolarHBondContact O-CA 3.37Å; I161-K178 HydrophobicContact CG1-CB 4.1Å; I161-K178 WeakPolarHBondContact CG1-O 2.9Å; I161-K178 PolarHBondContact N-O 3.37Å; I161-K178 PolarHBondContact O-N 3.02Å; I161-L180 HydrophobicContact CD1-CD1 3.76Å; I161-L180 HydrophobicContact CD1-CD2 4.28Å; I161-L180 HydrophobicContact CD1-CG 3.99Å; I161-L180 HydrophobicContact CG1-CD1 4.25Å; I161-L180 HydrophobicContact CG1-CG 4.13Å; I161-L180 HydrophobicContact CG2-CD1 4.02Å; I161-L180 HydrophobicContact CG2-CG 4.41Å; I161-E199 HydrophobicContact CD1-CB 4.02Å; I161-I211 HydrophobicContact CD1-CD1 3.59Å; I161-I211 HydrophobicContact CG2-CD1 4.4Å; I161-F213 HydrophobicContact CG2-CZ 4.47Å
162	S	90.6	Very high	89	Confident	72 Å²	72	60.4 Å²	60.4	50%	0.503	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.9	167.5	-53.9	0	0	0	0	106.9	D177	S162-D177 WeakPolarHBondContact CB-OD1 3.37Å; S162-D177 PolarHBondContact OG-OD1 2.76Å
163	R	89	Confident	88.4	Confident	40 Å²	40	60 Å²	60	15%	0.151	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	149.2	178.3	67.2	175.5	-174.6	-176.9	-6.2	110.6	V165 K176 E199 D201	R163-V165 HydrophobicContact CG-CG2 3.96Å; R163-K176 PolarHBondContact N-O 3.1Å; R163-K176 PolarHBondContact O-N 2.97Å; R163-E199 WeakPolarHBondContact CD-O 3.36Å; R163-E199 IonicContact CZ-OE2 3.17Å; R163-E199 IonicContact NH1-OE2 2.98Å; R163-E199 PolarHBondContact NH1-OE2 3.09Å; R163-E199 IonicContact NH2-OE2 2.89Å; R163-D201 VanDerWaalsContact CA-OD1 3.3Å; R163-D201 WeakPolarHBondContact CA-OD1 3.47Å
164	R	87.7	Confident	88	Confident	26 Å²	26	56.7 Å²	56.7	10%	0.098	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	131.4	169.5	-173.6	170.5	58.7	-173	-2.9	109.8	F104 E112 S173 D201 Q202	F104-R164 WeakPolarHBondContact O-CD 3.47Å; E112-R164 IonicContact OE1-CZ 3.04Å; E112-R164 IonicContact OE1-NH2 2.59Å; E112-R164 PolarHBondContact OE1-NH2 3.03Å; R164-S173 VanDerWaalsContact CG-CB 3.47Å; R164-D201 HydrophobicContact CB-CB 4.14Å; R164-D201 PolarHBondContact N-OD1 3.17Å; R164-Q202 PolarHBondContact NE-O 2.83Å; R164-Q202 WeakPolarHBondContact O-CB 3.25Å; R164-Q202 WeakPolarHBondContact O-CG 3.47Å; R164-Q202 PolarHBondContact O-N 3.38Å
165	V	89.3	Confident	87.6	Confident	17 Å²	17	60 Å²	60	10%	0.103	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131	178.1	-179.2	0	0	0	0	108.6	R163 S173 T174 K176	R163-V165 HydrophobicContact CG-CG2 3.96Å; V165-S173 CarbonylContact O-C 3.58Å; V165-S173 WeakPolarHBondContact O-CA 3.35Å; V165-T174 PolarHBondContact N-O 3.32Å; V165-T174 PolarHBondContact O-N 2.67Å; V165-K176 HydrophobicContact CB-CD 4.1Å; V165-K176 HydrophobicContact CB-CG 4.39Å; V165-K176 HydrophobicContact CG1-CD 4.39Å; V165-K176 HydrophobicContact CG2-CB 4.01Å; V165-K176 HydrophobicContact CG2-CD 4.06Å; V165-K176 HydrophobicContact CG2-CG 4.21Å
166	L	84.9	Confident	87.3	Confident	50 Å²	50	63.7 Å²	63.7	26%	0.262	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	132.6	176.1	-170.2	67.1	0	0	0	109.6	P204	L166-P204 HydrophobicContact CD1-CG 3.64Å; L166-P204 HydrophobicContact CD2-CB 4.45Å; L166-P204 HydrophobicContact CD2-CG 3.97Å; L166-P204 HydrophobicContact CG-CG 4.48Å
167	N	84.9	Confident	87.1	Confident	42 Å²	42	64 Å²	64	23%	0.225	32%	0.32	C	S	.	.			trans	-76.7	166.5	177.7	-63.6	-30.8	0	0	0	111.2	D169 G170 S172 T174	N167-D169 PolarHBondContact O-N 2.77Å; N167-D169 VanDerWaalsContact O-N 3.14Å; N167-G170 PolarHBondContact O-N 2.93Å; N167-S172 WeakPolarHBondContact CB-O 3.33Å; N167-S172 PolarHBondContact N-O 3.13Å; N167-S172 PolarHBondContact ND2-O 2.78Å; N167-S172 PolarHBondContact ND2-OG 3.35Å; N167-T174 WeakPolarHBondContact OD1-CG2 3.38Å; N167-T174 PolarHBondContact OD1-OG1 3.04Å
168	E	83.6	Confident	87	Confident	210 Å²	210	64.8 Å²	64.8	98%	0.981	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.1	-179.2	-64.4	-177.2	171.3	0	0	113.2	G170	E168-G170 PolarHBondContact O-N 3.23Å
169	D	75.6	Confident	87	Confident	45 Å²	45	62.3 Å²	62.3	24%	0.241	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-15.6	175.9	66.8	10.7	0	0	0	113.3	K21 N167 Y171 S172	K21-D169 WeakPolarHBondContact CD-OD2 3.4Å; K21-D169 IonicContact NZ-OD2 3.07Å; K21-D169 PolarHBondContact NZ-OD2 2.83Å; N167-D169 PolarHBondContact O-N 2.77Å; N167-D169 VanDerWaalsContact O-N 3.14Å; D169-Y171 HydrophobicContact CB-CD2 4.42Å; D169-Y171 WeakPolarHBondContact O-CD2 3.49Å; D169-Y171 VanDerWaalsContact O-CE2 3.23Å; D169-Y171 WeakPolarHBondContact O-CE2 3.44Å; D169-Y171 PolarHBondContact O-N 2.71Å; D169-Y171 PolarHBondContact OD1-N 2.98Å; D169-S172 VanDerWaalsContact CG-OG 3.23Å; D169-S172 PolarHBondContact OD1-N 3.08Å; D169-S172 PolarHBondContact OD1-OG 3.5Å; D169-S172 PolarHBondContact OD2-OG 3.01Å
170	G	72.1	Confident	87	Confident	29 Å²	29	60.9 Å²	60.9	30%	0.299	31%	0.309	S	S	.	.	S	Bend	trans	71.8	2.4	-179.5	0	0	0	0	0	114.8	R25 N167 E168	R25-G170 PolarHBondContact NH1-O 3.28Å; N167-G170 PolarHBondContact O-N 2.93Å; E168-G170 PolarHBondContact O-N 3.23Å
171	Y	71.3	Confident	87.1	Confident	65 Å²	65	57.4 Å²	57.4	26%	0.255	30%	0.299	S	S	.	.	S	Bend	trans	-115.1	-39.3	-176.4	-61.4	-74.1	0	0	0	113.2	A18 Q22 D169	A18-Y171 HydrophobicContact CB-CE2 4.32Å; Q22-Y171 HydrophobicContact CB-CD1 4.24Å; Q22-Y171 HydrophobicContact CB-CE1 3.86Å; Q22-Y171 HydrophobicContact CG-CE1 3.88Å; D169-Y171 HydrophobicContact CB-CD2 4.42Å; D169-Y171 WeakPolarHBondContact O-CD2 3.49Å; D169-Y171 VanDerWaalsContact O-CE2 3.23Å; D169-Y171 WeakPolarHBondContact O-CE2 3.44Å; D169-Y171 PolarHBondContact O-N 2.71Å; D169-Y171 PolarHBondContact OD1-N 2.98Å
172	S	79	Confident	87.3	Confident	14 Å²	14	57.4 Å²	57.4	10%	0.098	30%	0.299	C	S	.	.			trans	-104.7	156.9	-176.6	64.8	0	0	0	0	111.3	F103 N167 D169	F103-S172 WeakPolarHBondContact O-CA 3.3Å; N167-S172 WeakPolarHBondContact CB-O 3.33Å; N167-S172 PolarHBondContact N-O 3.13Å; N167-S172 PolarHBondContact ND2-O 2.78Å; N167-S172 PolarHBondContact ND2-OG 3.35Å; D169-S172 VanDerWaalsContact CG-OG 3.23Å; D169-S172 PolarHBondContact OD1-N 3.08Å; D169-S172 PolarHBondContact OD1-OG 3.5Å; D169-S172 PolarHBondContact OD2-OG 3.01Å
173	S	85.1	Confident	87.6	Confident	10 Å²	10	58.8 Å²	58.8	7%	0.07	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.3	179.7	-62.4	0	0	0	0	111.3	F103 G105 R164 V165	F103-S173 PolarHBondContact O-N 2.66Å; F103-S173 VanDerWaalsContact O-N 3.08Å; G105-S173 PolarHBondContact N-O 3.12Å; R164-S173 VanDerWaalsContact CG-CB 3.47Å; V165-S173 CarbonylContact O-C 3.58Å; V165-S173 WeakPolarHBondContact O-CA 3.35Å
174	T	86.1	Confident	88	Confident	51 Å²	51	57.2 Å²	57.2	31%	0.313	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	143.1	176.1	46.5	0	0	0	0	111	V165 N167 K176	V165-T174 PolarHBondContact N-O 3.32Å; V165-T174 PolarHBondContact O-N 2.67Å; N167-T174 WeakPolarHBondContact OD1-CG2 3.38Å; N167-T174 PolarHBondContact OD1-OG1 3.04Å; T174-K176 PolarHBondContact O-N 3.09Å; T174-K176 WeakPolarHBondContact OG1-CE 3.5Å
175	I	87.9	Confident	88.4	Confident	90 Å²	90	62.5 Å²	62.5	46%	0.462	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	120.2	169.6	-60.7	172.3	0	0	0	107.2	G105	G105-I175 WeakPolarHBondContact O-CD1 2.85Å; G105-I175 VanDerWaalsContact O-CG1 3.3Å; G105-I175 WeakPolarHBondContact O-CG1 3.32Å
176	K	89.6	Confident	88.7	Confident	106 Å²	106	63.5 Å²	63.5	46%	0.461	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.2	176.5	-66.4	-172.6	-179	175.1	0	110.1	R163 V165 T174	R163-K176 PolarHBondContact N-O 3.1Å; R163-K176 PolarHBondContact O-N 2.97Å; V165-K176 HydrophobicContact CB-CD 4.1Å; V165-K176 HydrophobicContact CB-CG 4.39Å; V165-K176 HydrophobicContact CG1-CD 4.39Å; V165-K176 HydrophobicContact CG2-CB 4.01Å; V165-K176 HydrophobicContact CG2-CD 4.06Å; V165-K176 HydrophobicContact CG2-CG 4.21Å; T174-K176 PolarHBondContact O-N 3.09Å; T174-K176 WeakPolarHBondContact OG1-CE 3.5Å
177	D	93.4	Very high	89.2	Confident	87 Å²	87	61.1 Å²	61.1	47%	0.465	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	138.5	171.4	-68.1	-33.6	0	0	0	110.4	K160 I161 S162	K160-D177 WeakPolarHBondContact CE-OD1 3.48Å; K160-D177 WeakPolarHBondContact CE-OD2 3.44Å; K160-D177 HydrophobicContact CG-CB 4.45Å; K160-D177 IonicContact NZ-OD1 2.88Å; K160-D177 IonicContact NZ-OD2 3.71Å; K160-D177 PolarHBondContact NZ-OD2 3.11Å; I161-D177 CarbonylContact O-C 3.58Å; I161-D177 VanDerWaalsContact O-CA 3.32Å; I161-D177 WeakPolarHBondContact O-CA 3.37Å; S162-D177 WeakPolarHBondContact CB-OD1 3.37Å; S162-D177 PolarHBondContact OG-OD1 2.76Å
178	K	94.7	Very high	89.8	Confident	74 Å²	74	61.1 Å²	61.1	32%	0.322	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	140.6	172.9	-173.7	173.8	176.3	179.9	0	109.8	I161 L180 E199	I161-K178 HydrophobicContact CG1-CB 4.1Å; I161-K178 WeakPolarHBondContact CG1-O 2.9Å; I161-K178 PolarHBondContact N-O 3.37Å; I161-K178 PolarHBondContact O-N 3.02Å; K178-L180 HydrophobicContact CD-CD2 4.24Å; K178-L180 HydrophobicContact CG-CD2 4.34Å; K178-E199 VanDerWaalsContact CD-OE2 3.29Å; K178-E199 WeakPolarHBondContact CD-OE2 3.24Å; K178-E199 IonicContact NZ-OE1 3.69Å; K178-E199 PolarHBondContact NZ-OE1 3.23Å; K178-E199 IonicContact NZ-OE2 3.04Å; K178-E199 PolarHBondContact NZ-OE2 3.09Å
179	I	96.4	Very high	90.3	Very high	105 Å²	105	55.5 Å²	55.5	54%	0.538	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	116.4	174.6	-59.7	174.6	0	0	0	108	K158 I159	K158-I179 HydrophobicContact CB-CG2 3.74Å; K158-I179 HydrophobicContact CD-CG2 4.39Å; K158-I179 HydrophobicContact CG-CG2 4.17Å; I159-I179 WeakPolarHBondContact O-CA 3.23Å
180	L	96.6	Very high	91.2	Very high	5 Å²	5	58.8 Å²	58.8	3%	0.026	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	131.6	169.4	-58.1	-175.4	0	0	0	108.7	K158 I159 I161 K178 F196 E199 F213	K158-L180 CarbonylContact C-O 3.56Å; K158-L180 WeakPolarHBondContact CA-O 3.35Å; I159-L180 PolarHBondContact N-O 3.45Å; I159-L180 PolarHBondContact O-N 2.9Å; I161-L180 HydrophobicContact CD1-CD1 3.76Å; I161-L180 HydrophobicContact CD1-CD2 4.28Å; I161-L180 HydrophobicContact CD1-CG 3.99Å; I161-L180 HydrophobicContact CG1-CD1 4.25Å; I161-L180 HydrophobicContact CG1-CG 4.13Å; I161-L180 HydrophobicContact CG2-CD1 4.02Å; I161-L180 HydrophobicContact CG2-CG 4.41Å; K178-L180 HydrophobicContact CD-CD2 4.24Å; K178-L180 HydrophobicContact CG-CD2 4.34Å; L180-F196 HydrophobicContact CB-CD1 4.29Å; L180-F196 HydrophobicContact CB-CE1 3.92Å; L180-F196 HydrophobicContact CB-CE2 4.27Å; L180-F196 HydrophobicContact CB-CZ 3.9Å; L180-F196 HydrophobicContact CD1-CB 4.1Å; L180-F196 HydrophobicContact CD1-CD1 4.05Å; L180-F196 HydrophobicContact CD1-CD2 3.88Å; L180-F196 HydrophobicContact CD1-CE1 4.46Å; L180-F196 HydrophobicContact CD1-CE2 4.29Å; L180-F196 HydrophobicContact CD1-CG 3.74Å; L180-F196 HydrophobicContact CD2-CD1 3.89Å; L180-F196 HydrophobicContact CD2-CE1 4.21Å; L180-F196 HydrophobicContact CD2-CG 4.37Å; L180-F196 HydrophobicContact CG-CD1 4.29Å; L180-F196 HydrophobicContact CG-CE1 4.41Å; L180-F196 HydrophobicContact CG-CG 4.47Å; L180-E199 HydrophobicContact CD1-CB 4.47Å; L180-E199 HydrophobicContact CD1-CG 4.44Å; L180-E199 HydrophobicContact CD2-CG 3.99Å; L180-F213 HydrophobicContact CD1-CE2 3.83Å; L180-F213 HydrophobicContact CD1-CZ 4.35Å
181	T	97.4	Very high	92.4	Very high	64 Å²	64	59.4 Å²	59.4	39%	0.393	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	123	-179.3	-56.9	0	0	0	0	108.5	T156 K158	T156-T181 HydrophobicContact CG2-CG2 3.29Å; K158-T181 HydrophobicContact CG-CG2 4.41Å
182	I	97.6	Very high	93.6	Very high	4 Å²	4	58.3 Å²	58.3	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	114.8	178.9	-59.7	174.3	0	0	0	107.8	L144 T156 K157 I159 V184 W188 I194 F196 F213	L144-I182 HydrophobicContact CD2-CD1 3.85Å; L144-I182 HydrophobicContact CD2-CG2 4.12Å; T156-I182 CarbonylContact C-O 3.54Å; T156-I182 WeakPolarHBondContact CA-O 3.29Å; K157-I182 PolarHBondContact N-O 2.99Å; K157-I182 PolarHBondContact O-N 3.35Å; I159-I182 HydrophobicContact CD1-CD1 3.57Å; I182-V184 HydrophobicContact CG2-CG2 4.18Å; I182-V184 PolarHBondContact O-N 2.91Å; I182-W188 HydrophobicContact CG2-CH2 4.09Å; I182-W188 HydrophobicContact CG2-CZ3 3.99Å; I182-I194 HydrophobicContact CG1-CG2 4.45Å; I182-I194 HydrophobicContact CG2-CG1 4.25Å; I182-I194 HydrophobicContact CG2-CG2 4.46Å; I182-F196 HydrophobicContact CD1-CE2 3.93Å; I182-F196 HydrophobicContact CD1-CZ 4.37Å; I182-F196 HydrophobicContact CG1-CE2 3.64Å; I182-F196 HydrophobicContact CG1-CZ 3.58Å; I182-F213 HydrophobicContact CD1-CB 3.98Å; I182-F213 HydrophobicContact CD1-CD1 4.32Å; I182-F213 HydrophobicContact CD1-CD2 3.67Å; I182-F213 HydrophobicContact CD1-CE2 4.2Å; I182-F213 HydrophobicContact CD1-CG 3.72Å
183	D	97.1	Very high	94.4	Very high	100 Å²	100	63.6 Å²	63.6	54%	0.535	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	95.6	172.8	-63	-41.1	0	0	0	109.3	T156 K185 W188	T156-D183 WeakPolarHBondContact CB-OD1 3.1Å; T156-D183 VanDerWaalsContact CG2-OD1 3.24Å; T156-D183 WeakPolarHBondContact CG2-OD1 3.45Å; T156-D183 PolarHBondContact OG1-OD1 2.9Å; D183-K185 PolarHBondContact O-N 3.13Å; D183-W188 WeakPolarHBondContact O-CH2 3.32Å
184	V	96.9	Very high	95	Very high	7 Å²	7	64.4 Å²	64.4	4%	0.042	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	117.9	176.6	-179.6	0	0	0	0	108.1	L146 L151 G154 C155 K157 I182 W188	L146-V184 HydrophobicContact CD1-CB 4.41Å; L146-V184 HydrophobicContact CD1-CG1 3.77Å; L146-V184 HydrophobicContact CD1-CG2 3.71Å; L146-V184 HydrophobicContact CD2-CG2 4.22Å; L151-V184 HydrophobicContact CD2-CG1 3.99Å; G154-V184 CarbonylContact C-O 3.58Å; G154-V184 WeakPolarHBondContact CA-O 3.42Å; C155-V184 PolarHBondContact N-O 2.83Å; C155-V184 VanDerWaalsContact N-O 3.09Å; C155-V184 WeakPolarHBondContact O-CA 3.48Å; C155-V184 VanDerWaalsContact O-CB 3.23Å; C155-V184 WeakPolarHBondContact O-CB 3.3Å; C155-V184 PolarHBondContact O-N 3.49Å; K157-V184 HydrophobicContact CG-CG2 4.32Å; I182-V184 HydrophobicContact CG2-CG2 4.18Å; I182-V184 PolarHBondContact O-N 2.91Å; V184-W188 HydrophobicContact CB-CE3 4.17Å; V184-W188 HydrophobicContact CB-CZ3 4.18Å; V184-W188 HydrophobicContact CG1-CD2 4.24Å; V184-W188 HydrophobicContact CG1-CE3 3.74Å; V184-W188 HydrophobicContact CG1-CZ3 4.26Å; V184-W188 HydrophobicContact CG2-CE3 4.29Å; V184-W188 HydrophobicContact CG2-CZ3 4.02Å
185	K	95.9	Very high	95.5	Very high	138 Å²	138	65.4 Å²	65.4	60%	0.6	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-84.1	146.6	176	-55	-174	177.1	179.9	0	110.6	D183 G187 W188	D183-K185 PolarHBondContact O-N 3.13Å; K185-G187 PolarHBondContact O-N 2.93Å; K185-W188 HydrophobicContact CG-CZ2 4.25Å; K185-W188 PolarHBondContact O-N 3.42Å
186	P	96.9	Very high	96	Very high	38 Å²	38	62.9 Å²	62.9	25%	0.247	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	139.9	171.8	-25	32.7	0	0	0	111.9	L151 W188 P279 P284	L151-P186 CarbonylContact O-C 3.6Å; L151-P186 WeakPolarHBondContact O-CA 3.45Å; P186-W188 VanDerWaalsContact C-N 3.31Å; P186-W188 PolarHBondContact O-N 2.96Å; P186-P279 HydrophobicContact CB-CB 4.27Å; P186-P279 HydrophobicContact CB-CG 4.36Å; P186-P284 HydrophobicContact CB-CB 4.22Å
187	G	95.4	Very high	96.3	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	-7.6	175.8	0	0	0	0	0	115.4	L151 K185 R189 R225 P279 P281	L151-G187 PolarHBondContact O-N 3.32Å; K185-G187 PolarHBondContact O-N 2.93Å; G187-R189 PolarHBondContact O-N 3.39Å; G187-R225 PolarHBondContact O-NH2 3.08Å; G187-P279 WeakPolarHBondContact CA-O 3.38Å; G187-P281 WeakPolarHBondContact O-CG 3.16Å
188	W	96.3	Very high	96.3	Very high	42 Å²	42	65.8 Å²	65.8	16%	0.159	32%	0.324	C	S	.	.			trans	-45.8	133.4	176.3	-88.4	13.8	0	0	0	112.3	L151 I182 D183 V184 K185 P186 T192 I194 V215 R225	L151-W188 HydrophobicContact CD2-CB 3.9Å; I182-W188 HydrophobicContact CG2-CH2 4.09Å; I182-W188 HydrophobicContact CG2-CZ3 3.99Å; D183-W188 WeakPolarHBondContact O-CH2 3.32Å; V184-W188 HydrophobicContact CB-CE3 4.17Å; V184-W188 HydrophobicContact CB-CZ3 4.18Å; V184-W188 HydrophobicContact CG1-CD2 4.24Å; V184-W188 HydrophobicContact CG1-CE3 3.74Å; V184-W188 HydrophobicContact CG1-CZ3 4.26Å; V184-W188 HydrophobicContact CG2-CE3 4.29Å; V184-W188 HydrophobicContact CG2-CZ3 4.02Å; K185-W188 HydrophobicContact CG-CZ2 4.25Å; K185-W188 PolarHBondContact O-N 3.42Å; P186-W188 VanDerWaalsContact C-N 3.31Å; P186-W188 PolarHBondContact O-N 2.96Å; W188-T192 HydrophobicContact CD2-CG2 4.03Å; W188-T192 HydrophobicContact CE3-CG2 4.27Å; W188-T192 HydrophobicContact CG-CG2 4.35Å; W188-I194 HydrophobicContact CE3-CD1 4.37Å; W188-I194 HydrophobicContact CH2-CD1 4.04Å; W188-I194 HydrophobicContact CH2-CG1 3.66Å; W188-I194 HydrophobicContact CZ3-CD1 3.63Å; W188-I194 HydrophobicContact CZ3-CG1 3.79Å; W188-V215 HydrophobicContact CE3-CG2 3.85Å; W188-V215 HydrophobicContact CZ3-CG2 4.26Å; W188-R225 PolarHBondContact O-NH1 3.2Å; W188-R225 PolarHBondContact O-NH2 3.14Å
189	R	95.1	Very high	96.2	Very high	91 Å²	91	63.5 Å²	63.5	34%	0.343	32%	0.315	S	S	.	.			trans	-96.8	154.7	-176.5	-63.7	-178.9	-179.1	159.9	4.5	110.7	G187 G191 T192 D228	G187-R189 PolarHBondContact O-N 3.39Å; R189-G191 PolarHBondContact O-N 2.85Å; R189-T192 PolarHBondContact N-OG1 2.92Å; R189-T192 WeakPolarHBondContact O-CB 3.01Å; R189-T192 PolarHBondContact O-N 3.41Å; R189-T192 VanDerWaalsContact O-N 3.16Å; R189-T192 PolarHBondContact O-OG1 2.8Å; R189-D228 IonicContact CZ-OD1 2.71Å; R189-D228 IonicContact CZ-OD2 2.67Å; R189-D228 IonicContact NE-OD1 3.64Å; R189-D228 PolarHBondContact NE-OD1 3.3Å; R189-D228 IonicContact NE-OD2 3.49Å; R189-D228 VanDerWaalsContact NH2-CG 3.34Å; R189-D228 IonicContact NH2-OD1 3.4Å; R189-D228 PolarHBondContact NH2-OD1 3.07Å; R189-D228 IonicContact NH2-OD2 3.17Å; R189-D228 PolarHBondContact NH2-OD2 3.46Å
190	Q	95.1	Very high	95.9	Very high	115 Å²	115	58.7 Å²	58.7	54%	0.537	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	136.8	168.4	-178.1	164.9	-34.7	0	0	111.3	E217	Q190-E217 HydrophobicContact CB-CG 4.06Å; Q190-E217 PolarHBondContact N-OE1 3.5Å
191	G	95.8	Very high	95.5	Very high	41 Å²	41	62 Å²	62	42%	0.423	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	89	-4.9	-178.5	0	0	0	0	0	114.9	R189 R193 V215	R189-G191 PolarHBondContact O-N 2.85Å; G191-R193 PolarHBondContact O-N 3.48Å; G191-V215 PolarHBondContact N-O 3.12Å
192	T	96.4	Very high	94.9	Very high	42 Å²	42	61.6 Å²	61.6	26%	0.258	30%	0.302	S	S	.	.			trans	-55.1	128.5	170.9	-58.1	0	0	0	0	109.8	W188 R189 I194 V215	W188-T192 HydrophobicContact CD2-CG2 4.03Å; W188-T192 HydrophobicContact CE3-CG2 4.27Å; W188-T192 HydrophobicContact CG-CG2 4.35Å; R189-T192 PolarHBondContact N-OG1 2.92Å; R189-T192 WeakPolarHBondContact O-CB 3.01Å; R189-T192 PolarHBondContact O-N 3.41Å; R189-T192 VanDerWaalsContact O-N 3.16Å; R189-T192 PolarHBondContact O-OG1 2.8Å; T192-I194 HydrophobicContact CG2-CD1 4.43Å; T192-V215 PolarHBondContact O-N 3.25Å
193	R	97.7	Very high	93.9	Very high	126 Å²	126	61.9 Å²	61.9	48%	0.475	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130.6	-176.8	-64.1	173.9	71.4	95.2	-5.7	110.2	E141 G191 I212 F213 I214	E141-R193 IonicContact OE1-CZ 3.1Å; E141-R193 VanDerWaalsContact OE1-CZ 3.24Å; E141-R193 IonicContact OE1-NH1 2.68Å; E141-R193 PolarHBondContact OE1-NH1 3.05Å; E141-R193 IonicContact OE1-NH2 2.79Å; E141-R193 PolarHBondContact OE1-NH2 2.83Å; G191-R193 PolarHBondContact O-N 3.48Å; R193-I212 HydrophobicContact CB-CG2 3.99Å; R193-I212 HydrophobicContact CG-CG2 4.31Å; R193-F213 CarbonylContact C-O 3.59Å; R193-F213 WeakPolarHBondContact CA-O 3.38Å; R193-I214 HydrophobicContact CG-CG1 4.41Å
194	I	97.3	Very high	92.6	Very high	26 Å²	26	59 Å²	59	13%	0.133	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	110.9	176.4	-55.5	88.2	0	0	0	107.6	I182 W188 T192 F196 I212 F213 V215	I182-I194 HydrophobicContact CG1-CG2 4.45Å; I182-I194 HydrophobicContact CG2-CG1 4.25Å; I182-I194 HydrophobicContact CG2-CG2 4.46Å; W188-I194 HydrophobicContact CE3-CD1 4.37Å; W188-I194 HydrophobicContact CH2-CD1 4.04Å; W188-I194 HydrophobicContact CH2-CG1 3.66Å; W188-I194 HydrophobicContact CZ3-CD1 3.63Å; W188-I194 HydrophobicContact CZ3-CG1 3.79Å; T192-I194 HydrophobicContact CG2-CD1 4.43Å; I194-F196 HydrophobicContact CG2-CD2 4.35Å; I194-F196 HydrophobicContact CG2-CE2 3.75Å; I194-F196 HydrophobicContact CG2-CZ 4.27Å; I194-I212 CarbonylContact O-C 3.56Å; I194-I212 WeakPolarHBondContact O-CA 3.2Å; I194-F213 HydrophobicContact CB-CB 4.34Å; I194-F213 HydrophobicContact CD1-CB 4.49Å; I194-F213 WeakPolarHBondContact CD1-O 3.34Å; I194-F213 PolarHBondContact N-O 3.19Å; I194-F213 PolarHBondContact O-N 3.22Å; I194-V215 HydrophobicContact CD1-CG2 3.77Å
195	T	97	Very high	91.4	Very high	72 Å²	72	61.2 Å²	61.2	44%	0.442	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.7	-177.4	-55.3	0	0	0	0	110.5	E197 D210 I212	T195-E197 HydrophobicContact CG2-CG 4.43Å; T195-D210 HydrophobicContact CG2-CB 3.97Å; T195-I212 HydrophobicContact CG2-CG1 4.17Å
196	F	96.9	Very high	90.5	Very high	38 Å²	38	55.8 Å²	55.8	17%	0.167	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	106.1	166.1	-68.7	-91.1	0	0	0	108.9	L180 I182 I194 E199 D210 I211 F213	L180-F196 HydrophobicContact CB-CD1 4.29Å; L180-F196 HydrophobicContact CB-CE1 3.92Å; L180-F196 HydrophobicContact CB-CE2 4.27Å; L180-F196 HydrophobicContact CB-CZ 3.9Å; L180-F196 HydrophobicContact CD1-CB 4.1Å; L180-F196 HydrophobicContact CD1-CD1 4.05Å; L180-F196 HydrophobicContact CD1-CD2 3.88Å; L180-F196 HydrophobicContact CD1-CE1 4.46Å; L180-F196 HydrophobicContact CD1-CE2 4.29Å; L180-F196 HydrophobicContact CD1-CG 3.74Å; L180-F196 HydrophobicContact CD2-CD1 3.89Å; L180-F196 HydrophobicContact CD2-CE1 4.21Å; L180-F196 HydrophobicContact CD2-CG 4.37Å; L180-F196 HydrophobicContact CG-CD1 4.29Å; L180-F196 HydrophobicContact CG-CE1 4.41Å; L180-F196 HydrophobicContact CG-CG 4.47Å; I182-F196 HydrophobicContact CD1-CE2 3.93Å; I182-F196 HydrophobicContact CD1-CZ 4.37Å; I182-F196 HydrophobicContact CG1-CE2 3.64Å; I182-F196 HydrophobicContact CG1-CZ 3.58Å; I194-F196 HydrophobicContact CG2-CD2 4.35Å; I194-F196 HydrophobicContact CG2-CE2 3.75Å; I194-F196 HydrophobicContact CG2-CZ 4.27Å; F196-E199 HydrophobicContact CB-CB 4.16Å; F196-E199 HydrophobicContact CB-CG 3.61Å; F196-D210 WeakPolarHBondContact O-CA 3.24Å; F196-I211 HydrophobicContact CB-CB 4.47Å; F196-I211 PolarHBondContact N-O 2.93Å; F196-I211 PolarHBondContact O-N 3.02Å; F196-F213 AromaticContact CD2-CD2 3.69Å; F196-F213 HydrophobicContact CD2-CD2 3.69Å; F196-F213 AromaticContact CD2-CE2 3.76Å; F196-F213 HydrophobicContact CD2-CE2 3.76Å; F196-F213 AromaticContact CE2-CD2 3.63Å; F196-F213 HydrophobicContact CE2-CD2 3.63Å; F196-F213 AromaticContact CE2-CE2 3.81Å; F196-F213 HydrophobicContact CE2-CE2 3.81Å
197	E	95.5	Very high	89.9	Confident	142 Å²	142	56.2 Å²	56.2	66%	0.664	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	133.4	-175.1	-61.8	-175.7	174.5	0	0	111.5	T195 E199 D210	T195-E197 HydrophobicContact CG2-CG 4.43Å; E197-E199 PolarHBondContact O-N 2.82Å; E197-E199 VanDerWaalsContact O-N 3.12Å; E197-D210 VanDerWaalsContact CA-OD1 3.28Å; E197-D210 WeakPolarHBondContact CA-OD1 3.36Å
198	K	93.3	Very high	89.6	Confident	112 Å²	112	57.1 Å²	57.1	49%	0.487	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	32.7	172.6	-56.6	171.7	-176	166.3	0	114.5	I207 P208 A209 D210	K198-I207 HydrophobicContact CD-CG2 4.3Å; K198-I207 HydrophobicContact CG-CG2 4.25Å; K198-P208 WeakPolarHBondContact CA-O 3.4Å; K198-P208 HydrophobicContact CB-CB 4.05Å; K198-P208 HydrophobicContact CB-CG 4.43Å; K198-P208 WeakPolarHBondContact O-CB 3.48Å; K198-A209 CarbonylContact C-O 3.58Å; K198-A209 WeakPolarHBondContact CA-O 3.26Å; K198-D210 PolarHBondContact N-OD1 3.33Å
199	E	94.1	Very high	89.4	Confident	26 Å²	26	55.3 Å²	55.3	12%	0.121	28%	0.281	C	S	.	.			trans	-91.4	-1.8	175.7	-67.1	-58.4	168.6	0	0	114.2	I161 R163 K178 L180 F196 E197 A209 I211	I161-E199 HydrophobicContact CD1-CB 4.02Å; R163-E199 WeakPolarHBondContact CD-O 3.36Å; R163-E199 IonicContact CZ-OE2 3.17Å; R163-E199 IonicContact NH1-OE2 2.98Å; R163-E199 PolarHBondContact NH1-OE2 3.09Å; R163-E199 IonicContact NH2-OE2 2.89Å; K178-E199 VanDerWaalsContact CD-OE2 3.29Å; K178-E199 WeakPolarHBondContact CD-OE2 3.24Å; K178-E199 IonicContact NZ-OE1 3.69Å; K178-E199 PolarHBondContact NZ-OE1 3.23Å; K178-E199 IonicContact NZ-OE2 3.04Å; K178-E199 PolarHBondContact NZ-OE2 3.09Å; L180-E199 HydrophobicContact CD1-CB 4.47Å; L180-E199 HydrophobicContact CD1-CG 4.44Å; L180-E199 HydrophobicContact CD2-CG 3.99Å; F196-E199 HydrophobicContact CB-CB 4.16Å; F196-E199 HydrophobicContact CB-CG 3.61Å; E197-E199 PolarHBondContact O-N 2.82Å; E197-E199 VanDerWaalsContact O-N 3.12Å; E199-A209 PolarHBondContact N-O 2.81Å; E199-I211 HydrophobicContact CB-CB 4.43Å; E199-I211 HydrophobicContact CB-CD1 3.75Å; E199-I211 HydrophobicContact CB-CG1 4.05Å; E199-I211 WeakPolarHBondContact O-CD1 3.45Å
200	G	89.8	Confident	89.4	Confident	3 Å²	3	52.5 Å²	52.5	3%	0.031	27%	0.273	C	S	.	.	S	Bend	trans	-71	-167.8	173.3	0	0	0	0	0	114.3	A209	G200-A209 WeakPolarHBondContact CA-O 3.18Å; G200-A209 PolarHBondContact N-O 3.05Å
201	D	87.9	Confident	89.4	Confident	76 Å²	76	47.2 Å²	47.2	41%	0.406	25%	0.248	S	C	.	.			trans	-69.4	137.3	179.6	-70.8	-28.2	0	0	0	111.7	R163 R164 P208	R163-D201 VanDerWaalsContact CA-OD1 3.3Å; R163-D201 WeakPolarHBondContact CA-OD1 3.47Å; R164-D201 HydrophobicContact CB-CB 4.14Å; R164-D201 PolarHBondContact N-OD1 3.17Å; D201-P208 WeakPolarHBondContact O-CA 3.45Å
202	Q	84.6	Confident	89.5	Confident	55 Å²	55	45.8 Å²	45.8	26%	0.257	23%	0.231	S	C	.	.			trans	-95.8	140.8	174.6	-43.3	-164.1	-11.5	0	0	110	R164 P208	R164-Q202 PolarHBondContact NE-O 2.83Å; R164-Q202 WeakPolarHBondContact O-CB 3.25Å; R164-Q202 WeakPolarHBondContact O-CG 3.47Å; R164-Q202 PolarHBondContact O-N 3.38Å; Q202-P208 HydrophobicContact CB-CG 4.19Å; Q202-P208 HydrophobicContact CG-CB 4.42Å; Q202-P208 HydrophobicContact CG-CG 3.65Å
203	G	77	Confident	89.6	Confident	9 Å²	9	44 Å²	44	9%	0.093	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-145.3	164	173.5	0	0	0	0	0	110.6	N205 I206	G203-N205 VanDerWaalsContact C-N 3.26Å; G203-N205 PolarHBondContact O-N 3.23Å; G203-I206 PolarHBondContact O-N 3.44Å
204	P	69.4	Low	89.6	Confident	39 Å²	39	38.9 Å²	38.9	25%	0.253	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-28.9	-171.6	-36	47.5	0	0	0	115.8	R25 E112 L166	R25-P204 VanDerWaalsContact NH2-CG 3.33Å; E112-P204 WeakPolarHBondContact OE2-CD 3.2Å; L166-P204 HydrophobicContact CD1-CG 3.64Å; L166-P204 HydrophobicContact CD2-CB 4.45Å; L166-P204 HydrophobicContact CD2-CG 3.97Å; L166-P204 HydrophobicContact CG-CG 4.48Å
205	N	72.2	Confident	89.6	Confident	55 Å²	55	37.6 Å²	37.6	29%	0.294	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	16.6	176.9	-67.2	-33.9	0	0	0	113	K134 K135 G203	K134-N205 WeakPolarHBondContact CA-O 3.45Å; K135-N205 PolarHBondContact N-O 3.36Å; G203-N205 VanDerWaalsContact C-N 3.26Å; G203-N205 PolarHBondContact O-N 3.23Å
206	I	76.6	Confident	89.7	Confident	24 Å²	24	37.1 Å²	37.1	12%	0.123	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	125.8	-175.4	-66.5	-179.9	0	0	0	109.7	E112 K135 G203	E112-I206 HydrophobicContact CB-CD1 4.15Å; E112-I206 HydrophobicContact CG-CD1 3.53Å; K135-I206 WeakPolarHBondContact O-CA 3.32Å; G203-I206 PolarHBondContact O-N 3.44Å
207	I	84.3	Confident	89.6	Confident	47 Å²	47	37.3 Å²	37.3	24%	0.241	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	125.1	163.4	-65.9	159.3	0	0	0	106	K134 K135 Q136 K198 A209	K134-I207 HydrophobicContact CB-CD1 3.78Å; K134-I207 HydrophobicContact CB-CG1 3.92Å; K134-I207 HydrophobicContact CD-CG1 4.26Å; K135-I207 PolarHBondContact O-N 2.86Å; Q136-I207 HydrophobicContact CB-CB 3.96Å; Q136-I207 HydrophobicContact CB-CG2 4.22Å; Q136-I207 HydrophobicContact CG-CB 4.13Å; Q136-I207 HydrophobicContact CG-CG2 3.94Å; K198-I207 HydrophobicContact CD-CG2 4.3Å; K198-I207 HydrophobicContact CG-CG2 4.25Å; I207-A209 PolarHBondContact O-N 3.33Å
208	P	89.4	Confident	89.7	Confident	18 Å²	18	35.6 Å²	35.6	12%	0.117	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-57.1	138.6	-177.1	-24.9	35.4	0	0	0	111.1	K198 D201 Q202	K198-P208 WeakPolarHBondContact CA-O 3.4Å; K198-P208 HydrophobicContact CB-CB 4.05Å; K198-P208 HydrophobicContact CB-CG 4.43Å; K198-P208 WeakPolarHBondContact O-CB 3.48Å; D201-P208 WeakPolarHBondContact O-CA 3.45Å; Q202-P208 HydrophobicContact CB-CG 4.19Å; Q202-P208 HydrophobicContact CG-CB 4.42Å; Q202-P208 HydrophobicContact CG-CG 3.65Å
209	A	91.2	Very high	89.9	Confident	4 Å²	4	38.6 Å²	38.6	3%	0.033	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-63.1	155.2	175.9	0	0	0	0	0	111.3	D137 P138 I140 K198 E199 G200 I207	D137-A209 HydrophobicContact CB-CB 4.1Å; P138-A209 WeakPolarHBondContact O-CB 3.37Å; I140-A209 HydrophobicContact CD1-CB 4.29Å; I140-A209 HydrophobicContact CG1-CB 4.21Å; K198-A209 CarbonylContact C-O 3.58Å; K198-A209 WeakPolarHBondContact CA-O 3.26Å; E199-A209 PolarHBondContact N-O 2.81Å; G200-A209 WeakPolarHBondContact CA-O 3.18Å; G200-A209 PolarHBondContact N-O 3.05Å; I207-A209 PolarHBondContact O-N 3.33Å
210	D	95.4	Very high	90	Very high	32 Å²	32	38.2 Å²	38.2	17%	0.171	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-78.4	143.4	169.8	-59.6	-22.1	0	0	0	109.5	Q136 P139 I140 T195 F196 E197 K198	Q136-D210 PolarHBondContact NE2-OD1 2.68Å; P139-D210 CarbonylContact C-O 3.55Å; P139-D210 WeakPolarHBondContact CA-O 3.37Å; P139-D210 HydrophobicContact CB-CB 4.47Å; I140-D210 PolarHBondContact N-O 3.11Å; T195-D210 HydrophobicContact CG2-CB 3.97Å; F196-D210 WeakPolarHBondContact O-CA 3.24Å; E197-D210 VanDerWaalsContact CA-OD1 3.28Å; E197-D210 WeakPolarHBondContact CA-OD1 3.36Å; K198-D210 PolarHBondContact N-OD1 3.33Å
211	I	96.1	Very high	90.3	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.9	172.7	-62.4	-179.8	0	0	0	108	I140 I161 F196 E199 F213	I140-I211 HydrophobicContact CB-CG1 4.44Å; I140-I211 WeakPolarHBondContact O-CA 3.34Å; I161-I211 HydrophobicContact CD1-CD1 3.59Å; I161-I211 HydrophobicContact CG2-CD1 4.4Å; F196-I211 HydrophobicContact CB-CB 4.47Å; F196-I211 PolarHBondContact N-O 2.93Å; F196-I211 PolarHBondContact O-N 3.02Å; E199-I211 HydrophobicContact CB-CB 4.43Å; E199-I211 HydrophobicContact CB-CD1 3.75Å; E199-I211 HydrophobicContact CB-CG1 4.05Å; E199-I211 WeakPolarHBondContact O-CD1 3.45Å; I211-F213 HydrophobicContact CG2-CD2 4.18Å; I211-F213 HydrophobicContact CG2-CE2 3.61Å; I211-F213 HydrophobicContact CG2-CZ 3.94Å
212	I	97.7	Very high	90.6	Very high	11 Å²	11	44.6 Å²	44.6	6%	0.056	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	117.2	-178.2	-54.7	178.7	0	0	0	109	P139 I140 E141 R142 R193 I194 T195 I214	P139-I212 HydrophobicContact CB-CD1 3.56Å; P139-I212 HydrophobicContact CB-CG1 4.1Å; P139-I212 HydrophobicContact CG-CD1 4.21Å; I140-I212 PolarHBondContact O-N 3.12Å; E141-I212 CarbonylContact C-O 3.38Å; E141-I212 WeakPolarHBondContact CA-O 3.48Å; R142-I212 PolarHBondContact N-O 3.27Å; R193-I212 HydrophobicContact CB-CG2 3.99Å; R193-I212 HydrophobicContact CG-CG2 4.31Å; I194-I212 CarbonylContact O-C 3.56Å; I194-I212 WeakPolarHBondContact O-CA 3.2Å; T195-I212 HydrophobicContact CG2-CG1 4.17Å; I212-I214 HydrophobicContact CG2-CG1 4.38Å
213	F	98.1	Very high	91.2	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.018	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	128.8	169.8	-67.9	-84.5	0	0	0	110.4	R142 L144 I159 I161 L180 I182 R193 I194 F196 I211	R142-F213 HydrophobicContact CB-CD1 3.87Å; R142-F213 HydrophobicContact CB-CE1 3.87Å; R142-F213 CarbonylContact O-C 3.55Å; R142-F213 VanDerWaalsContact O-CA 3.26Å; R142-F213 WeakPolarHBondContact O-CA 3.23Å; L144-F213 HydrophobicContact CB-CB 4.3Å; I159-F213 HydrophobicContact CB-CE1 4.48Å; I159-F213 HydrophobicContact CB-CZ 4.23Å; I159-F213 HydrophobicContact CD1-CD1 3.71Å; I159-F213 HydrophobicContact CD1-CE1 3.4Å; I159-F213 VanDerWaalsContact CD1-CE1 3.4Å; I159-F213 HydrophobicContact CD1-CE2 4.41Å; I159-F213 HydrophobicContact CD1-CG 4.33Å; I159-F213 HydrophobicContact CD1-CZ 3.79Å; I159-F213 HydrophobicContact CG2-CE1 3.92Å; I159-F213 HydrophobicContact CG2-CZ 3.83Å; I161-F213 HydrophobicContact CG2-CZ 4.47Å; L180-F213 HydrophobicContact CD1-CE2 3.83Å; L180-F213 HydrophobicContact CD1-CZ 4.35Å; I182-F213 HydrophobicContact CD1-CB 3.98Å; I182-F213 HydrophobicContact CD1-CD1 4.32Å; I182-F213 HydrophobicContact CD1-CD2 3.67Å; I182-F213 HydrophobicContact CD1-CE2 4.2Å; I182-F213 HydrophobicContact CD1-CG 3.72Å; R193-F213 CarbonylContact C-O 3.59Å; R193-F213 WeakPolarHBondContact CA-O 3.38Å; I194-F213 HydrophobicContact CB-CB 4.34Å; I194-F213 HydrophobicContact CD1-CB 4.49Å; I194-F213 WeakPolarHBondContact CD1-O 3.34Å; I194-F213 PolarHBondContact N-O 3.19Å; I194-F213 PolarHBondContact O-N 3.22Å; F196-F213 AromaticContact CD2-CD2 3.69Å; F196-F213 HydrophobicContact CD2-CD2 3.69Å; F196-F213 AromaticContact CD2-CE2 3.76Å; F196-F213 HydrophobicContact CD2-CE2 3.76Å; F196-F213 AromaticContact CE2-CD2 3.63Å; F196-F213 HydrophobicContact CE2-CD2 3.63Å; F196-F213 AromaticContact CE2-CE2 3.81Å; F196-F213 HydrophobicContact CE2-CE2 3.81Å; I211-F213 HydrophobicContact CG2-CD2 4.18Å; I211-F213 HydrophobicContact CG2-CE2 3.61Å; I211-F213 HydrophobicContact CG2-CZ 3.94Å
214	I	98.2	Very high	92.2	Very high	19 Å²	19	50.9 Å²	50.9	10%	0.097	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	119.7	178.4	-54.1	178.7	0	0	0	108.2	E141 R142 L144 R193 I212 K216	E141-I214 HydrophobicContact CB-CD1 4.19Å; E141-I214 HydrophobicContact CG-CD1 4.36Å; E141-I214 WeakPolarHBondContact OE2-CD1 3.28Å; R142-I214 PolarHBondContact O-N 3.22Å; L144-I214 PolarHBondContact N-O 3.02Å; R193-I214 HydrophobicContact CG-CG1 4.41Å; I212-I214 HydrophobicContact CG2-CG1 4.38Å; I214-K216 PolarHBondContact O-N 3.3Å
215	V	97.9	Very high	93.5	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	126.1	178.6	173.6	0	0	0	0	110.4	L146 L151 W188 G191 T192 I194	L146-V215 HydrophobicContact CD1-CG1 4Å; L146-V215 HydrophobicContact CD1-CG2 4.23Å; L151-V215 HydrophobicContact CD2-CG1 4.2Å; W188-V215 HydrophobicContact CE3-CG2 3.85Å; W188-V215 HydrophobicContact CZ3-CG2 4.26Å; G191-V215 PolarHBondContact N-O 3.12Å; T192-V215 PolarHBondContact O-N 3.25Å; I194-V215 HydrophobicContact CD1-CG2 3.77Å
216	K	97.5	Very high	94.6	Very high	62 Å²	62	52.4 Å²	52.4	27%	0.27	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	136	172	-63.2	-63.7	-173.8	175	0	109.5	D143 L144 Y145 L146 I214	D143-K216 HydrophobicContact CB-CG 3.87Å; D143-K216 WeakPolarHBondContact OD1-CE 3.43Å; L144-K216 PolarHBondContact O-N 3.31Å; Y145-K216 CarbonylContact C-O 3.6Å; Y145-K216 WeakPolarHBondContact CA-O 3.32Å; Y145-K216 HydrophobicContact CD1-CB 3.71Å; Y145-K216 HydrophobicContact CE1-CB 3.77Å; Y145-K216 HydrophobicContact CE1-CG 4.25Å; Y145-K216 HydrophobicContact CG-CB 4.28Å; L146-K216 PolarHBondContact N-O 2.6Å; I214-K216 PolarHBondContact O-N 3.3Å
217	E	96.4	Very high	95.5	Very high	42 Å²	42	56 Å²	56	20%	0.196	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	131.4	178.1	-63.5	-174.8	-178.3	0	0	110.1	L151 Q190 R225	L151-E217 HydrophobicContact CD1-CG 3.69Å; Q190-E217 HydrophobicContact CB-CG 4.06Å; Q190-E217 PolarHBondContact N-OE1 3.5Å; E217-R225 WeakPolarHBondContact OE1-CD 3.44Å; E217-R225 IonicContact OE1-CZ 3.9Å; E217-R225 IonicContact OE1-NE 3.49Å; E217-R225 IonicContact OE1-NH1 2.72Å; E217-R225 PolarHBondContact OE1-NH1 3.39Å; E217-R225 WeakPolarHBondContact OE2-CD 3.36Å
218	K	97	Very high	96	Very high	106 Å²	106	54.8 Å²	54.8	46%	0.461	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-74.4	146.6	169.8	-68	179.9	179.9	175.5	0	109.5	Y145 L146 H220	Y145-K218 WeakPolarHBondContact O-CE 3.42Å; L146-K218 PolarHBondContact O-N 2.89Å; K218-H220 PolarHBondContact O-N 3.31Å
219	L	96.4	Very high	96.4	Very high	174 Å²	174	56 Å²	56	91%	0.911	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-60.7	125.4	170.9	-175.8	66	0	0	0	109.6
220	H	97.1	Very high	96.7	Very high	18 Å²	18	56 Å²	56	8%	0.083	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-101.4	137.8	177.2	-179.9	-89.4	0	0	0	110.2	L148 E149 K218 R222 F223	L148-H220 HydrophobicContact CD1-CB 3.57Å; L148-H220 HydrophobicContact CG-CB 3.99Å; E149-H220 IonicContact OE1-CD2 2.98Å; E149-H220 PolarHBondContact OE1-CD2 3.48Å; E149-H220 IonicContact OE1-NE2 2.98Å; E149-H220 PolarHBondContact OE1-NE2 2.99Å; E149-H220 VanDerWaalsContact OE1-NE2 3.1Å; K218-H220 PolarHBondContact O-N 3.31Å; H220-R222 VanDerWaalsContact C-N 3.3Å; H220-R222 PolarHBondContact ND1-N 3.16Å; H220-R222 VanDerWaalsContact ND1-N 3.19Å; H220-R222 PolarHBondContact O-N 2.79Å; H220-F223 WeakPolarHBondContact CB-O 3.42Å; H220-F223 AromaticContact CE1-CD2 3.27Å; H220-F223 WeakPolarHBondContact CE1-CD2 3.48Å; H220-F223 AromaticContact CE1-CE2 3.96Å; H220-F223 AromaticContact ND1-CD2 3.51Å; H220-F223 AromaticContact ND1-CG 3.89Å; H220-F223 PolarHBondContact ND1-N 3.19Å
221	P	95.5	Very high	96.9	Very high	115 Å²	115	56.6 Å²	56.6	75%	0.747	27%	0.269	S	S	*	.	S	Bend	trans	-65.3	-26.1	-172.2	23.1	-35.9	0	0	0	115
222	R	95	Very high	97	Very high	98 Å²	98	57.5 Å²	57.5	37%	0.37	27%	0.272	S	S	.	.	S	Bend	trans	-111.6	-29.3	-177.1	-58.2	-176.1	-68.2	-73.8	-1.9	113.9	H220 F232	H220-R222 VanDerWaalsContact C-N 3.3Å; H220-R222 PolarHBondContact ND1-N 3.16Å; H220-R222 VanDerWaalsContact ND1-N 3.19Å; H220-R222 PolarHBondContact O-N 2.79Å; R222-F232 HydrophobicContact CB-CD2 4.2Å; R222-F232 HydrophobicContact CB-CE2 4.13Å; R222-F232 VanDerWaalsContact O-CD2 3.27Å; R222-F232 WeakPolarHBondContact O-CD2 3.44Å
223	F	97.6	Very high	97	Very high	10 Å²	10	61.2 Å²	61.2	4%	0.044	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	139.1	-164.5	-61.2	-63.3	0	0	0	109.4	L148 H220 L230 F231 F232 V249 K250 L252 L290	L148-F223 HydrophobicContact CD1-CB 3.91Å; H220-F223 WeakPolarHBondContact CB-O 3.42Å; H220-F223 AromaticContact CE1-CD2 3.27Å; H220-F223 WeakPolarHBondContact CE1-CD2 3.48Å; H220-F223 AromaticContact CE1-CE2 3.96Å; H220-F223 AromaticContact ND1-CD2 3.51Å; H220-F223 AromaticContact ND1-CG 3.89Å; H220-F223 PolarHBondContact ND1-N 3.19Å; F223-L230 HydrophobicContact CB-CD2 4.34Å; F223-F231 WeakPolarHBondContact CA-O 3.49Å; F223-F232 HydrophobicContact CD1-CB 3.87Å; F223-F232 HydrophobicContact CD1-CD2 4.11Å; F223-F232 HydrophobicContact CD1-CG 4.39Å; F223-F232 HydrophobicContact CE1-CB 3.83Å; F223-F232 AromaticContact CE1-CD2 3.85Å; F223-F232 HydrophobicContact CE1-CD2 3.85Å; F223-F232 HydrophobicContact CE1-CG 4.05Å; F223-V249 HydrophobicContact CE1-CG1 3.95Å; F223-V249 HydrophobicContact CZ-CG1 3.85Å; F223-K250 WeakPolarHBondContact CE2-O 3.31Å; F223-K250 VanDerWaalsContact CZ-O 3.31Å; F223-K250 WeakPolarHBondContact CZ-O 3.37Å; F223-L252 HydrophobicContact CD2-CD2 3.72Å; F223-L252 HydrophobicContact CD2-CG 4.17Å; F223-L252 HydrophobicContact CE2-CD2 4.07Å; F223-L252 HydrophobicContact CE2-CG 4.29Å; F223-L290 HydrophobicContact CD1-CD1 4.26Å; F223-L290 HydrophobicContact CE1-CD1 3.99Å
224	R	97.3	Very high	96.9	Very high	187 Å²	187	62.4 Å²	62.4	71%	0.706	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.6	162.9	175.2	177.2	173.6	152.6	-1.8	107.6	F231	R224-F231 HydrophobicContact CB-CB 4.26Å; R224-F231 PolarHBondContact N-O 3.16Å; R224-F231 WeakPolarHBondContact O-CB 3.25Å; R224-F231 PolarHBondContact O-N 3.16Å
225	R	97	Very high	96.8	Very high	21 Å²	21	64.8 Å²	64.8	8%	0.079	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	141.9	174.3	-177.1	-179.6	178.1	-175.7	6.5	110	L148 G187 W188 E217 N227 N229 L230 M278	L148-R225 HydrophobicContact CD1-CB 4.47Å; L148-R225 HydrophobicContact CD2-CB 3.76Å; L148-R225 HydrophobicContact CD2-CG 4.44Å; G187-R225 PolarHBondContact O-NH2 3.08Å; W188-R225 PolarHBondContact O-NH1 3.2Å; W188-R225 PolarHBondContact O-NH2 3.14Å; E217-R225 WeakPolarHBondContact OE1-CD 3.44Å; E217-R225 IonicContact OE1-CZ 3.9Å; E217-R225 IonicContact OE1-NE 3.49Å; E217-R225 IonicContact OE1-NH1 2.72Å; E217-R225 PolarHBondContact OE1-NH1 3.39Å; E217-R225 WeakPolarHBondContact OE2-CD 3.36Å; R225-N227 WeakPolarHBondContact CG-O 3.46Å; R225-N227 PolarHBondContact NE-O 3.32Å; R225-N227 PolarHBondContact NH2-O 3.35Å; R225-N229 WeakPolarHBondContact CA-O 3.41Å; R225-L230 HydrophobicContact CB-CD2 4.06Å; R225-L230 HydrophobicContact CG-CD2 4.35Å; R225-M278 HydrophobicContact CG-CG 4.03Å
226	E	96	Very high	96.7	Very high	104 Å²	104	65.1 Å²	65.1	49%	0.486	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	113.9	164.6	-169.7	-180	168.4	0	0	108.3	D228 N229 F231	E226-D228 PolarHBondContact O-N 3.22Å; E226-D228 VanDerWaalsContact O-N 3.14Å; E226-N229 PolarHBondContact N-O 3.2Å; E226-N229 PolarHBondContact O-N 3.08Å; E226-F231 HydrophobicContact CB-CD2 4.08Å; E226-F231 HydrophobicContact CB-CE2 3.54Å; E226-F231 HydrophobicContact CB-CZ 4.24Å
227	N	94	Very high	96.7	Very high	101 Å²	101	65.4 Å²	65.4	54%	0.54	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	-115.6	-169.2	-57.8	-54.1	0	0	0	111.1	R225	R225-N227 WeakPolarHBondContact CG-O 3.46Å; R225-N227 PolarHBondContact NE-O 3.32Å; R225-N227 PolarHBondContact NH2-O 3.35Å
228	D	95.8	Very high	96.6	Very high	20 Å²	20	65.4 Å²	65.4	11%	0.107	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	0.9	-179.2	-44.9	-47.7	0	0	0	112	R189 E226 M278 G288	R189-D228 IonicContact CZ-OD1 2.71Å; R189-D228 IonicContact CZ-OD2 2.67Å; R189-D228 IonicContact NE-OD1 3.64Å; R189-D228 PolarHBondContact NE-OD1 3.3Å; R189-D228 IonicContact NE-OD2 3.49Å; R189-D228 VanDerWaalsContact NH2-CG 3.34Å; R189-D228 IonicContact NH2-OD1 3.4Å; R189-D228 PolarHBondContact NH2-OD1 3.07Å; R189-D228 IonicContact NH2-OD2 3.17Å; R189-D228 PolarHBondContact NH2-OD2 3.46Å; E226-D228 PolarHBondContact O-N 3.22Å; E226-D228 VanDerWaalsContact O-N 3.14Å; D228-M278 WeakPolarHBondContact O-CB 3.47Å; D228-M278 PolarHBondContact O-N 2.6Å; D228-G288 WeakPolarHBondContact O-CA 3.46Å
229	N	97.8	Very high	96.4	Very high	44 Å²	44	62.6 Å²	62.6	24%	0.235	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	149.2	-177.5	-62.7	-33.9	0	0	0	111.5	R225 E226 F231 D289 F291	R225-N229 WeakPolarHBondContact CA-O 3.41Å; E226-N229 PolarHBondContact N-O 3.2Å; E226-N229 PolarHBondContact O-N 3.08Å; N229-F231 HydrophobicContact CB-CE2 3.82Å; N229-D289 CarbonylContact C-O 3.26Å; N229-D289 VanDerWaalsContact CA-O 3.26Å; N229-D289 WeakPolarHBondContact CA-O 3.18Å; N229-D289 WeakPolarHBondContact CB-O 3.46Å; N229-D289 PolarHBondContact OD1-N 2.82Å; N229-F291 HydrophobicContact CB-CD2 4.07Å; N229-F291 HydrophobicContact CB-CE2 3.89Å
230	L	98.1	Very high	96.3	Very high	4 Å²	4	60 Å²	60	2%	0.021	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	140.1	174	-67.5	178.4	0	0	0	110.3	L148 F223 R225 L252 M278 D289 L290 F291	L148-L230 HydrophobicContact CD1-CD2 4.18Å; F223-L230 HydrophobicContact CB-CD2 4.34Å; R225-L230 HydrophobicContact CB-CD2 4.06Å; R225-L230 HydrophobicContact CG-CD2 4.35Å; L230-L252 HydrophobicContact CD1-CD1 3.71Å; L230-L252 HydrophobicContact CD1-CG 4.22Å; L230-L252 HydrophobicContact CD2-CD1 4.5Å; L230-M278 HydrophobicContact CD1-CG 4.46Å; L230-M278 HydrophobicContact CD1-SD 4.25Å; L230-M278 HydrophobicContact CD2-CG 3.71Å; L230-M278 HydrophobicContact CD2-SD 3.85Å; L230-M278 HydrophobicContact CG-CG 3.99Å; L230-M278 HydrophobicContact CG-SD 4.31Å; L230-D289 PolarHBondContact N-O 3.42Å; L230-L290 HydrophobicContact CB-CD1 3.91Å; L230-L290 CarbonylContact O-C 3.52Å; L230-L290 WeakPolarHBondContact O-CA 3.35Å; L230-F291 PolarHBondContact O-N 2.99Å
231	F	98.3	Very high	96.3	Very high	44 Å²	44	59.1 Å²	59.1	19%	0.193	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123	-179.5	-67.6	-109.4	0	0	0	107.9	F223 R224 E226 N229 F291 F293	F223-F231 WeakPolarHBondContact CA-O 3.49Å; R224-F231 HydrophobicContact CB-CB 4.26Å; R224-F231 PolarHBondContact N-O 3.16Å; R224-F231 WeakPolarHBondContact O-CB 3.25Å; R224-F231 PolarHBondContact O-N 3.16Å; E226-F231 HydrophobicContact CB-CD2 4.08Å; E226-F231 HydrophobicContact CB-CE2 3.54Å; E226-F231 HydrophobicContact CB-CZ 4.24Å; N229-F231 HydrophobicContact CB-CE2 3.82Å; F231-F291 WeakPolarHBondContact CA-O 3.4Å; F231-F291 HydrophobicContact CD1-CB 4.14Å; F231-F291 HydrophobicContact CE1-CB 4.2Å; F231-F291 HydrophobicContact CE1-CD2 4.48Å; F231-F291 HydrophobicContact CE1-CG 4.36Å; F231-F291 HydrophobicContact CE2-CD2 4.4Å; F231-F291 HydrophobicContact CZ-CD2 4.17Å; F231-F291 HydrophobicContact CZ-CG 4.49Å; F231-F293 HydrophobicContact CD1-CD2 4.2Å; F231-F293 AromaticContact CD1-CE2 3.43Å; F231-F293 HydrophobicContact CD1-CE2 3.43Å; F231-F293 VanDerWaalsContact CD1-CE2 3.43Å; F231-F293 HydrophobicContact CD1-CZ 4.21Å; F231-F293 AromaticContact CE1-CE2 3.85Å; F231-F293 HydrophobicContact CE1-CE2 3.85Å; F231-F293 HydrophobicContact CE1-CZ 4.25Å
232	F	97.8	Very high	96.2	Very high	23 Å²	23	56.7 Å²	56.7	10%	0.101	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	134	179.3	177.5	-113.7	0	0	0	109	R222 F223 N234 V247 V249 L290 F291 I292 F293	R222-F232 HydrophobicContact CB-CD2 4.2Å; R222-F232 HydrophobicContact CB-CE2 4.13Å; R222-F232 VanDerWaalsContact O-CD2 3.27Å; R222-F232 WeakPolarHBondContact O-CD2 3.44Å; F223-F232 HydrophobicContact CD1-CB 3.87Å; F223-F232 HydrophobicContact CD1-CD2 4.11Å; F223-F232 HydrophobicContact CD1-CG 4.39Å; F223-F232 HydrophobicContact CE1-CB 3.83Å; F223-F232 AromaticContact CE1-CD2 3.85Å; F223-F232 HydrophobicContact CE1-CD2 3.85Å; F223-F232 HydrophobicContact CE1-CG 4.05Å; F232-N234 HydrophobicContact CD1-CB 4.18Å; F232-N234 HydrophobicContact CE1-CB 3.62Å; F232-N234 HydrophobicContact CZ-CB 4.37Å; F232-V247 HydrophobicContact CE1-CG1 4.42Å; F232-V249 HydrophobicContact CD1-CG1 4.41Å; F232-V249 HydrophobicContact CD1-CG2 3.92Å; F232-V249 HydrophobicContact CE1-CG2 3.85Å; F232-L290 HydrophobicContact CB-CD1 3.96Å; F232-F291 PolarHBondContact N-O 2.72Å; F232-I292 HydrophobicContact CD1-CG1 4.33Å; F232-I292 HydrophobicContact CD1-CG2 4.01Å; F232-I292 CarbonylContact O-C 3.56Å; F232-I292 WeakPolarHBondContact O-CA 3.42Å; F232-F293 PolarHBondContact O-N 2.93Å
233	V	97.4	Very high	96	Very high	90 Å²	90	56.4 Å²	56.4	55%	0.545	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	115.6	175.1	-176.6	0	0	0	0	108.2	F293 D295	V233-F293 WeakPolarHBondContact CA-O 3.27Å; V233-F293 HydrophobicContact CG2-CB 4.33Å; V233-D295 HydrophobicContact CG1-CB 4.07Å
234	N	96.9	Very high	95.6	Very high	28 Å²	28	59.5 Å²	59.5	15%	0.15	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	115.4	179.2	-170.1	47	0	0	0	110.7	F232 I236 V247 I292 F293 F294 D295	F232-N234 HydrophobicContact CD1-CB 4.18Å; F232-N234 HydrophobicContact CE1-CB 3.62Å; F232-N234 HydrophobicContact CZ-CB 4.37Å; N234-I236 WeakPolarHBondContact ND2-CG2 3.1Å; N234-I236 PolarHBondContact O-N 3.27Å; N234-V247 HydrophobicContact CB-CG1 4.27Å; N234-I292 HydrophobicContact CB-CG2 4.14Å; N234-F293 PolarHBondContact N-O 3.34Å; N234-F294 HydrophobicContact CB-CD1 4.14Å; N234-F294 HydrophobicContact CB-CE1 4.15Å; N234-F294 WeakPolarHBondContact O-CA 3.2Å; N234-D295 PolarHBondContact O-N 2.87Å
235	P	96.4	Very high	95.3	Very high	70 Å²	70	51.2 Å²	51.2	46%	0.455	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	128.7	171.7	27.8	-31.5	0	0	0	110.5	D295	P235-D295 WeakPolarHBondContact CA-O 3.4Å
236	I	96.1	Very high	95.3	Very high	6 Å²	6	54.1 Å²	54.1	3%	0.031	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	141.3	178.7	60.8	168.9	0	0	0	112.2	N234 A241 I265 F294 D295 I296 Q297	N234-I236 WeakPolarHBondContact ND2-CG2 3.1Å; N234-I236 PolarHBondContact O-N 3.27Å; I236-A241 HydrophobicContact CD1-CB 3.64Å; I236-A241 HydrophobicContact CG1-CB 4.37Å; I236-I265 HydrophobicContact CD1-CB 4.11Å; I236-I265 HydrophobicContact CD1-CD1 3.48Å; I236-I265 VanDerWaalsContact CD1-CD1 3.48Å; I236-I265 HydrophobicContact CD1-CG1 4.4Å; I236-I265 HydrophobicContact CD1-CG2 3.81Å; I236-F294 HydrophobicContact CD1-CB 4.03Å; I236-F294 HydrophobicContact CD1-CD1 3.65Å; I236-F294 HydrophobicContact CD1-CG 4.06Å; I236-F294 HydrophobicContact CG1-CB 4.23Å; I236-F294 HydrophobicContact CG1-CD1 4.11Å; I236-F294 HydrophobicContact CG2-CD1 4Å; I236-F294 HydrophobicContact CG2-CE1 4.48Å; I236-D295 PolarHBondContact N-O 3.28Å; I236-I296 HydrophobicContact CG1-CG1 4.44Å; I236-Q297 PolarHBondContact O-N 2.9Å
237	P	96.3	Very high	95.2	Very high	68 Å²	68	49.3 Å²	49.3	44%	0.442	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	143.5	170.7	-20.3	32.3	0	0	0	111.9	G239 K240 A241	P237-G239 PolarHBondContact O-N 2.99Å; P237-G239 VanDerWaalsContact O-N 3.08Å; P237-K240 PolarHBondContact O-N 3.33Å; P237-A241 PolarHBondContact O-N 2.96Å; P237-A241 VanDerWaalsContact O-N 3.13Å
238	L	94.9	Very high	95.3	Very high	42 Å²	42	50.7 Å²	50.7	22%	0.22	29%	0.292	C	S	.	.	H	α-helix	trans	-49.2	-39.7	177.4	179.3	66.6	0	0	0	113.5	K240 A241 L242 I296 Q297 F298	L238-K240 VanDerWaalsContact C-N 3.34Å; L238-K240 PolarHBondContact O-N 3.48Å; L238-A241 WeakPolarHBondContact O-CB 3.39Å; L238-A241 PolarHBondContact O-N 3.11Å; L238-A241 VanDerWaalsContact O-N 3.13Å; L238-L242 HydrophobicContact CD1-CD1 4.12Å; L238-L242 HydrophobicContact CD1-CG 4.12Å; L238-L242 HydrophobicContact CG-CD1 4Å; L238-L242 HydrophobicContact CG-CG 4.37Å; L238-L242 WeakPolarHBondContact O-CG 3.28Å; L238-L242 PolarHBondContact O-N 3.06Å; L238-I296 HydrophobicContact CB-CG2 4.18Å; L238-I296 HydrophobicContact CD1-CG2 3.81Å; L238-Q297 PolarHBondContact N-O 3.48Å; L238-F298 HydrophobicContact CD1-CE1 4.11Å; L238-F298 HydrophobicContact CD1-CE2 4.42Å; L238-F298 HydrophobicContact CD1-CZ 3.96Å; L238-F298 HydrophobicContact CD2-CD1 3.69Å; L238-F298 HydrophobicContact CD2-CE1 3.62Å; L238-F298 HydrophobicContact CD2-CG 4.43Å; L238-F298 HydrophobicContact CD2-CZ 4.31Å; L238-F298 HydrophobicContact CG-CE1 4.44Å
239	G	93.3	Very high	95.4	Very high	48 Å²	48	49.8 Å²	49.8	50%	0.495	29%	0.287	S	S	.	.	H	α-helix	trans	-59.4	-42.8	178.7	0	0	0	0	0	113	P237 A241 L242 T243	P237-G239 PolarHBondContact O-N 2.99Å; P237-G239 VanDerWaalsContact O-N 3.08Å; G239-A241 VanDerWaalsContact C-N 3.33Å; G239-L242 PolarHBondContact O-N 3.39Å; G239-T243 PolarHBondContact O-N 3.25Å; G239-T243 PolarHBondContact O-OG1 3.48Å
240	K	94.6	Very high	95.3	Very high	118 Å²	118	52.3 Å²	52.3	51%	0.513	30%	0.296	S	S	.	.	H	α-helix	trans	-70.6	-30.3	175.7	-76.1	-166.5	177.3	-174.6	0	112.3	P237 L238 L242 C245	P237-K240 PolarHBondContact O-N 3.33Å; L238-K240 VanDerWaalsContact C-N 3.34Å; L238-K240 PolarHBondContact O-N 3.48Å; K240-L242 VanDerWaalsContact C-N 3.34Å; K240-C245 HydrophobicContact CB-CB 4.02Å; K240-C245 HydrophobicContact CD-CB 4.21Å; K240-C245 HydrophobicContact CG-CB 4.46Å
241	A	95.8	Very high	95.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-67.3	-34.7	175.9	0	0	0	0	0	112.3	I236 P237 L238 G239 I265 I296	I236-A241 HydrophobicContact CD1-CB 3.64Å; I236-A241 HydrophobicContact CG1-CB 4.37Å; P237-A241 PolarHBondContact O-N 2.96Å; P237-A241 VanDerWaalsContact O-N 3.13Å; L238-A241 WeakPolarHBondContact O-CB 3.39Å; L238-A241 PolarHBondContact O-N 3.11Å; L238-A241 VanDerWaalsContact O-N 3.13Å; G239-A241 VanDerWaalsContact C-N 3.33Å; A241-I265 HydrophobicContact CB-CB 4.04Å; A241-I265 PolarHBondContact O-N 3.42Å; A241-I296 HydrophobicContact CB-CD1 4.48Å; A241-I296 HydrophobicContact CB-CG1 4.43Å; A241-I296 HydrophobicContact CB-CG2 4.24Å
242	L	94.4	Very high	95	Very high	64 Å²	64	50.7 Å²	50.7	34%	0.335	29%	0.29	S	S	.	.	H	α-helix	trans	-86.9	-18.1	-177.6	-66.4	176.4	0	0	0	114.5	L238 G239 K240 I264 L314	L238-L242 HydrophobicContact CD1-CD1 4.12Å; L238-L242 HydrophobicContact CD1-CG 4.12Å; L238-L242 HydrophobicContact CG-CD1 4Å; L238-L242 HydrophobicContact CG-CG 4.37Å; L238-L242 WeakPolarHBondContact O-CG 3.28Å; L238-L242 PolarHBondContact O-N 3.06Å; G239-L242 PolarHBondContact O-N 3.39Å; K240-L242 VanDerWaalsContact C-N 3.34Å; L242-I264 HydrophobicContact CD2-CG2 4.13Å; L242-L314 HydrophobicContact CD1-CD1 4.33Å
243	T	90.9	Very high	94.8	Very high	93 Å²	93	51.5 Å²	51.5	57%	0.571	30%	0.295	S	S	*	.	S	Bend	trans	-105.6	-92.5	-177.1	57.2	0	0	0	0	111.4	G239	G239-T243 PolarHBondContact O-N 3.25Å; G239-T243 PolarHBondContact O-OG1 3.48Å
244	C	88.3	Confident	94.6	Very high	75 Å²	75	52.4 Å²	52.4	51%	0.507	30%	0.297	S	S	.	.			trans	-158.5	152.8	172.8	60.6	0	0	0	0	107.8	I261	C244-I261 WeakPolarHBondContact CA-O 3.31Å; C244-I261 WeakPolarHBondContact CB-O 3.37Å
245	C	92.1	Very high	94.5	Very high	13 Å²	13	55.8 Å²	55.8	9%	0.088	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	153.7	174	72.1	0	0	0	0	112	K240 I261	K240-C245 HydrophobicContact CB-CB 4.02Å; K240-C245 HydrophobicContact CD-CB 4.21Å; K240-C245 HydrophobicContact CG-CB 4.46Å; C245-I261 PolarHBondContact N-O 3.48Å; C245-I261 WeakPolarHBondContact O-CA 3.26Å; C245-I261 PolarHBondContact O-N 3.11Å
246	T	95.3	Very high	94.5	Very high	82 Å²	82	57.2 Å²	57.2	50%	0.503	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.6	166.1	-53.6	0	0	0	0	107.5	N258 I259	T246-N258 HydrophobicContact CG2-CB 4.11Å; T246-I259 WeakPolarHBondContact CA-O 3.47Å
247	V	95.7	Very high	94.6	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.012	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	125.8	175.2	-176.3	0	0	0	0	108.3	F232 N234 V249 I259 I261 I292 F294	F232-V247 HydrophobicContact CE1-CG1 4.42Å; N234-V247 HydrophobicContact CB-CG1 4.27Å; V247-V249 HydrophobicContact CG1-CG2 3.79Å; V247-I259 PolarHBondContact N-O 2.92Å; V247-I259 PolarHBondContact O-N 3.02Å; V247-I261 HydrophobicContact CG2-CD1 3.49Å; V247-I261 VanDerWaalsContact CG2-CD1 3.49Å; V247-I261 HydrophobicContact CG2-CG1 4.24Å; V247-I292 HydrophobicContact CG1-CG2 4.49Å; V247-F294 HydrophobicContact CG2-CE1 3.66Å; V247-F294 HydrophobicContact CG2-CZ 4.09Å
248	E	96.1	Very high	94.6	Very high	130 Å²	130	59.7 Å²	59.7	61%	0.607	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	118.5	174.8	-60.4	-179.8	-178.4	0	0	108.5	L256 L257	E248-L256 HydrophobicContact CB-CD1 4.34Å; E248-L257 WeakPolarHBondContact CA-O 3.46Å
249	V	96.4	Very high	94.7	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.006	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	118.6	178.8	-174.9	0	0	0	0	109.4	F223 F232 V247 T251 L257 I259 L290 I292	F223-V249 HydrophobicContact CE1-CG1 3.95Å; F223-V249 HydrophobicContact CZ-CG1 3.85Å; F232-V249 HydrophobicContact CD1-CG1 4.41Å; F232-V249 HydrophobicContact CD1-CG2 3.92Å; F232-V249 HydrophobicContact CE1-CG2 3.85Å; V247-V249 HydrophobicContact CG1-CG2 3.79Å; V249-T251 PolarHBondContact O-N 2.81Å; V249-L257 PolarHBondContact N-O 3.03Å; V249-L257 PolarHBondContact O-N 2.71Å; V249-I259 HydrophobicContact CG2-CD1 4.1Å; V249-L290 HydrophobicContact CG1-CD2 4.12Å; V249-I292 HydrophobicContact CG2-CD1 3.88Å
250	K	96.4	Very high	94.8	Very high	97 Å²	97	59.9 Å²	59.9	42%	0.422	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	108.1	168.8	-168.9	178.2	-178.5	-163.7	0	109.7	F223 D254 R255 L256	F223-K250 WeakPolarHBondContact CE2-O 3.31Å; F223-K250 VanDerWaalsContact CZ-O 3.31Å; F223-K250 WeakPolarHBondContact CZ-O 3.37Å; K250-D254 WeakPolarHBondContact CE-OD1 3.42Å; K250-D254 IonicContact NZ-OD1 2.77Å; K250-D254 PolarHBondContact NZ-OD1 3.27Å; K250-R255 WeakPolarHBondContact CA-O 3.48Å; K250-L256 HydrophobicContact CB-CD1 4.31Å
251	T	95.1	Very high	94.9	Very high	8 Å²	8	54.3 Å²	54.3	5%	0.049	29%	0.29	C	S	.	.			trans	-71.2	173.9	-177.2	51.1	0	0	0	0	112.3	V249 D253 D254 R255 L257	V249-T251 PolarHBondContact O-N 2.81Å; T251-D253 WeakPolarHBondContact CB-OD1 3.48Å; T251-D253 PolarHBondContact O-N 3.24Å; T251-D253 PolarHBondContact OG1-OD1 3.38Å; T251-D254 PolarHBondContact O-N 2.9Å; T251-R255 PolarHBondContact N-O 3.04Å; T251-R255 WeakPolarHBondContact OG1-CB 3.37Å; T251-R255 PolarHBondContact OG1-N 2.99Å; T251-R255 PolarHBondContact OG1-O 2.55Å; T251-L257 HydrophobicContact CG2-CD1 3.4Å; T251-L257 VanDerWaalsContact CG2-CD1 3.4Å; T251-L257 HydrophobicContact CG2-CG 3.65Å
252	L	95.1	Very high	94.8	Very high	7 Å²	7	60.3 Å²	60.3	4%	0.037	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.9	177	-66	177	0	0	0	113.1	L148 E149 F152 F223 L230 D254 M278	L148-L252 HydrophobicContact CB-CD1 3.92Å; L148-L252 HydrophobicContact CB-CD2 3.99Å; E149-L252 HydrophobicContact CG-CD2 4.23Å; F152-L252 HydrophobicContact CB-CD1 4.1Å; F152-L252 HydrophobicContact CD2-CB 4.13Å; F152-L252 HydrophobicContact CD2-CD1 3.82Å; F152-L252 HydrophobicContact CE2-CB 4.44Å; F152-L252 HydrophobicContact CG-CB 4.15Å; F152-L252 HydrophobicContact CG-CD1 4.2Å; F223-L252 HydrophobicContact CD2-CD2 3.72Å; F223-L252 HydrophobicContact CD2-CG 4.17Å; F223-L252 HydrophobicContact CE2-CD2 4.07Å; F223-L252 HydrophobicContact CE2-CG 4.29Å; L230-L252 HydrophobicContact CD1-CD1 3.71Å; L230-L252 HydrophobicContact CD1-CG 4.22Å; L230-L252 HydrophobicContact CD2-CD1 4.5Å; L252-D254 VanDerWaalsContact C-N 3.32Å; L252-M278 HydrophobicContact CD1-SD 3.53Å; L252-M278 VanDerWaalsContact CD1-SD 3.53Å
253	D	93.6	Very high	94.7	Very high	39 Å²	39	61.7 Å²	61.7	21%	0.209	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	21.7	174.3	62.4	-8	0	0	0	114	F152 F153 T251 R255	F152-D253 HydrophobicContact CE1-CB 3.88Å; F152-D253 HydrophobicContact CZ-CB 4.23Å; F153-D253 HydrophobicContact CE1-CB 4.21Å; F153-D253 HydrophobicContact CZ-CB 3.69Å; T251-D253 WeakPolarHBondContact CB-OD1 3.48Å; T251-D253 PolarHBondContact O-N 3.24Å; T251-D253 PolarHBondContact OG1-OD1 3.38Å; D253-R255 PolarHBondContact O-N 2.88Å; D253-R255 IonicContact OD1-CZ 3.91Å; D253-R255 IonicContact OD1-NE 2.8Å; D253-R255 PolarHBondContact OD1-NE 3.29Å; D253-R255 IonicContact OD1-NH2 3.57Å; D253-R255 IonicContact OD2-CZ 3.36Å; D253-R255 IonicContact OD2-NE 3.96Å; D253-R255 PolarHBondContact OD2-NE 3.22Å; D253-R255 IonicContact OD2-NH2 3.01Å; D253-R255 PolarHBondContact OD2-NH2 2.96Å
254	D	93.6	Very high	94.9	Very high	110 Å²	110	62.3 Å²	62.3	59%	0.588	33%	0.329	S	S	*	.	S	Bend	trans	61.3	5.4	177.4	-70.6	-57.3	0	0	0	115.9	K250 T251 L252	K250-D254 WeakPolarHBondContact CE-OD1 3.42Å; K250-D254 IonicContact NZ-OD1 2.77Å; K250-D254 PolarHBondContact NZ-OD1 3.27Å; T251-D254 PolarHBondContact O-N 2.9Å; L252-D254 VanDerWaalsContact C-N 3.32Å
255	R	95.2	Very high	95.3	Very high	99 Å²	99	59 Å²	59	37%	0.374	31%	0.305	S	S	.	.			trans	-67.1	148.8	169.6	-65.5	-173.9	-69.7	126.9	10	110.4	K250 T251 D253 E276	K250-R255 WeakPolarHBondContact CA-O 3.48Å; T251-R255 PolarHBondContact N-O 3.04Å; T251-R255 WeakPolarHBondContact OG1-CB 3.37Å; T251-R255 PolarHBondContact OG1-N 2.99Å; T251-R255 PolarHBondContact OG1-O 2.55Å; D253-R255 PolarHBondContact O-N 2.88Å; D253-R255 IonicContact OD1-CZ 3.91Å; D253-R255 IonicContact OD1-NE 2.8Å; D253-R255 PolarHBondContact OD1-NE 3.29Å; D253-R255 IonicContact OD1-NH2 3.57Å; D253-R255 IonicContact OD2-CZ 3.36Å; D253-R255 IonicContact OD2-NE 3.96Å; D253-R255 PolarHBondContact OD2-NE 3.22Å; D253-R255 IonicContact OD2-NH2 3.01Å; D253-R255 PolarHBondContact OD2-NH2 2.96Å; R255-E276 IonicContact CZ-OE1 3.63Å; R255-E276 IonicContact CZ-OE2 3.64Å; R255-E276 IonicContact NH1-OE1 2.96Å; R255-E276 PolarHBondContact NH1-OE1 3.03Å; R255-E276 IonicContact NH1-OE2 3.73Å; R255-E276 IonicContact NH2-OE1 3.37Å; R255-E276 PolarHBondContact NH2-OE1 3.34Å; R255-E276 IonicContact NH2-OE2 2.74Å; R255-E276 PolarHBondContact NH2-OE2 2.81Å
256	L	96.4	Very high	95.4	Very high	100 Å²	100	63 Å²	63	52%	0.524	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	112.6	172.3	-166.9	71.2	0	0	0	109	E248 K250	E248-L256 HydrophobicContact CB-CD1 4.34Å; K250-L256 HydrophobicContact CB-CD1 4.31Å
257	L	96.4	Very high	95.3	Very high	25 Å²	25	64.5 Å²	64.5	13%	0.131	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	126	175.5	-60.1	-180	0	0	0	109.9	E248 V249 T251 I259 E276	E248-L257 WeakPolarHBondContact CA-O 3.46Å; V249-L257 PolarHBondContact N-O 3.03Å; V249-L257 PolarHBondContact O-N 2.71Å; T251-L257 HydrophobicContact CG2-CD1 3.4Å; T251-L257 VanDerWaalsContact CG2-CD1 3.4Å; T251-L257 HydrophobicContact CG2-CG 3.65Å; L257-I259 HydrophobicContact CB-CD1 4.1Å; L257-I259 HydrophobicContact CB-CG1 4.26Å; L257-E276 HydrophobicContact CD1-CB 4.16Å; L257-E276 HydrophobicContact CD1-CG 3.71Å
258	N	96.9	Very high	95.3	Very high	101 Å²	101	73 Å²	73	54%	0.54	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	101.9	175.4	-67.1	-19.5	0	0	0	109.1	T246 P260	T246-N258 HydrophobicContact CG2-CB 4.11Å; N258-P260 WeakPolarHBondContact O-CD 3.26Å
259	I	96.6	Very high	95.3	Very high	18 Å²	18	68.4 Å²	68.4	9%	0.092	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	107.3	-171.1	-61.1	151.7	0	0	0	108.9	T246 V247 V249 L257 K271 V273 I292	T246-I259 WeakPolarHBondContact CA-O 3.47Å; V247-I259 PolarHBondContact N-O 2.92Å; V247-I259 PolarHBondContact O-N 3.02Å; V249-I259 HydrophobicContact CG2-CD1 4.1Å; L257-I259 HydrophobicContact CB-CD1 4.1Å; L257-I259 HydrophobicContact CB-CG1 4.26Å; I259-K271 HydrophobicContact CG2-CG 4.06Å; I259-V273 HydrophobicContact CD1-CG2 3.69Å; I259-V273 HydrophobicContact CG1-CG2 4.29Å; I259-V273 HydrophobicContact CG2-CG2 4.38Å; I259-I292 HydrophobicContact CD1-CD1 3.5Å
260	P	96	Very high	95.3	Very high	76 Å²	76	73 Å²	73	49%	0.494	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	135.6	176.8	29.7	-33.6	0	0	0	110.8	N258	N258-P260 WeakPolarHBondContact O-CD 3.26Å
261	I	95.7	Very high	95.4	Very high	1 Å²	1	71.5 Å²	71.5	1%	0.005	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	109.4	175.2	-52.3	-177	0	0	0	107.8	C244 C245 V247 I265 Y269 K271 F294	C244-I261 WeakPolarHBondContact CA-O 3.31Å; C244-I261 WeakPolarHBondContact CB-O 3.37Å; C245-I261 PolarHBondContact N-O 3.48Å; C245-I261 WeakPolarHBondContact O-CA 3.26Å; C245-I261 PolarHBondContact O-N 3.11Å; V247-I261 HydrophobicContact CG2-CD1 3.49Å; V247-I261 VanDerWaalsContact CG2-CD1 3.49Å; V247-I261 HydrophobicContact CG2-CG1 4.24Å; I261-I265 HydrophobicContact CB-CD1 4.41Å; I261-I265 HydrophobicContact CD1-CD1 4.17Å; I261-I265 HydrophobicContact CG2-CD1 3.87Å; I261-I265 HydrophobicContact CG2-CG1 3.88Å; I261-Y269 HydrophobicContact CG2-CE1 4.08Å; I261-K271 HydrophobicContact CD1-CB 4.33Å; I261-F294 HydrophobicContact CD1-CE1 3.74Å; I261-F294 HydrophobicContact CD1-CE2 3.99Å; I261-F294 HydrophobicContact CD1-CZ 3.15Å
262	N	93.9	Very high	95.5	Very high	125 Å²	125	75.8 Å²	75.8	67%	0.668	38%	0.38	S	S	*	.			trans	-98.8	-13.6	-178.8	-59.2	-29.6	0	0	0	112.1
263	D	93.6	Very high	95.6	Very high	93 Å²	93	76.5 Å²	76.5	50%	0.497	38%	0.384	S	S	.	.	S	Bend	trans	-84.7	157.2	179.3	-53.5	-47.1	0	0	0	111.1	I265 Y269	D263-I265 PolarHBondContact O-N 2.94Å; D263-Y269 HydrophobicContact CB-CE2 4.06Å; D263-Y269 PolarHBondContact OD2-OH 3.09Å
264	I	94.5	Very high	95.8	Very high	107 Å²	107	79.2 Å²	79.2	55%	0.549	40%	0.404	S	S	.	.			trans	-69.5	123.2	172.5	-63	173.6	0	0	0	109.5	L242 H266	L242-I264 HydrophobicContact CD2-CG2 4.13Å; I264-H266 PolarHBondContact O-N 3.03Å
265	I	96.3	Very high	95.9	Very high	4 Å²	4	75.5 Å²	75.5	2%	0.021	39%	0.392	C	S	.	.			trans	-87.5	105.6	179.7	-59.4	169	0	0	0	108.8	I236 A241 I261 D263 Y269 F294 I296	I236-I265 HydrophobicContact CD1-CB 4.11Å; I236-I265 HydrophobicContact CD1-CD1 3.48Å; I236-I265 VanDerWaalsContact CD1-CD1 3.48Å; I236-I265 HydrophobicContact CD1-CG1 4.4Å; I236-I265 HydrophobicContact CD1-CG2 3.81Å; A241-I265 HydrophobicContact CB-CB 4.04Å; A241-I265 PolarHBondContact O-N 3.42Å; I261-I265 HydrophobicContact CB-CD1 4.41Å; I261-I265 HydrophobicContact CD1-CD1 4.17Å; I261-I265 HydrophobicContact CG2-CD1 3.87Å; I261-I265 HydrophobicContact CG2-CG1 3.88Å; D263-I265 PolarHBondContact O-N 2.94Å; I265-Y269 HydrophobicContact CB-CD1 4.32Å; I265-Y269 HydrophobicContact CG1-CD1 3.98Å; I265-Y269 HydrophobicContact CG1-CE1 4.11Å; I265-Y269 HydrophobicContact CG2-CD1 4.04Å; I265-Y269 HydrophobicContact CG2-CG 4.49Å; I265-F294 HydrophobicContact CD1-CD1 4.11Å; I265-F294 HydrophobicContact CD1-CE1 4.09Å; I265-F294 HydrophobicContact CD1-CG 4.33Å; I265-F294 HydrophobicContact CD1-CZ 4.33Å; I265-F294 HydrophobicContact CG2-CB 3.55Å; I265-F294 HydrophobicContact CG2-CD1 4.27Å; I265-F294 HydrophobicContact CG2-CD2 3.62Å; I265-F294 HydrophobicContact CG2-CE2 4.47Å; I265-F294 HydrophobicContact CG2-CG 3.52Å; I265-I296 HydrophobicContact CG2-CD1 4.35Å; I265-I296 WeakPolarHBondContact O-CD1 3.47Å
266	H	94.4	Very high	96	Very high	99 Å²	99	72.5 Å²	72.5	46%	0.458	38%	0.382	S	S	.	.			trans	-96.6	165.7	170.7	64.8	88.2	0	0	0	111	I264 K268 Y269	I264-H266 PolarHBondContact O-N 3.03Å; H266-K268 PolarHBondContact ND1-N 3.38Å; H266-K268 PolarHBondContact O-N 3.05Å; H266-Y269 PolarHBondContact CE1-N 3.47Å; H266-Y269 VanDerWaalsContact CE1-N 3.3Å; H266-Y269 PolarHBondContact ND1-N 3.3Å; H266-Y269 WeakPolarHBondContact O-CB 3.37Å; H266-Y269 PolarHBondContact O-N 3.25Å
267	P	94.1	Very high	96	Very high	113 Å²	113	67.8 Å²	67.8	73%	0.734	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-17.4	-173	-28.5	35.7	0	0	0	117	I296	P267-I296 HydrophobicContact CG-CD1 4.21Å
268	K	95.1	Very high	96.1	Very high	179 Å²	179	66.6 Å²	66.6	78%	0.778	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-3	176.6	-62.8	-176.9	179.7	-179.3	0	112.7	H266	H266-K268 PolarHBondContact ND1-N 3.38Å; H266-K268 PolarHBondContact O-N 3.05Å
269	Y	96.3	Very high	96.1	Very high	34 Å²	34	62 Å²	62	13%	0.133	33%	0.326	C	S	.	.			trans	-68.7	138.7	177.8	-178.1	-91.1	0	0	0	109.2	I261 D263 I265 H266 K271 F294	I261-Y269 HydrophobicContact CG2-CE1 4.08Å; D263-Y269 HydrophobicContact CB-CE2 4.06Å; D263-Y269 PolarHBondContact OD2-OH 3.09Å; I265-Y269 HydrophobicContact CB-CD1 4.32Å; I265-Y269 HydrophobicContact CG1-CD1 3.98Å; I265-Y269 HydrophobicContact CG1-CE1 4.11Å; I265-Y269 HydrophobicContact CG2-CD1 4.04Å; I265-Y269 HydrophobicContact CG2-CG 4.49Å; H266-Y269 PolarHBondContact CE1-N 3.47Å; H266-Y269 VanDerWaalsContact CE1-N 3.3Å; H266-Y269 PolarHBondContact ND1-N 3.3Å; H266-Y269 WeakPolarHBondContact O-CB 3.37Å; H266-Y269 PolarHBondContact O-N 3.25Å; Y269-K271 HydrophobicContact CE1-CB 4.33Å; Y269-F294 AromaticContact CD1-CD2 3.88Å; Y269-F294 HydrophobicContact CD1-CD2 3.88Å; Y269-F294 AromaticContact CD1-CE2 3.78Å; Y269-F294 HydrophobicContact CD1-CE2 3.78Å; Y269-F294 HydrophobicContact CE1-CD2 4.45Å; Y269-F294 AromaticContact CE1-CE2 3.91Å; Y269-F294 HydrophobicContact CE1-CE2 3.91Å
270	F	96.6	Very high	96.1	Very high	99 Å²	99	63.3 Å²	63.3	43%	0.434	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	149.5	169.4	65.2	-89.5	0	0	0	109.1	K272 F291 I292 F293	F270-K272 HydrophobicContact CE2-CB 4.48Å; F270-F291 AromaticContact CD2-CD1 3.8Å; F270-F291 HydrophobicContact CD2-CD1 3.8Å; F270-F291 HydrophobicContact CD2-CE1 4.37Å; F270-F291 AromaticContact CE2-CD1 3.87Å; F270-F291 HydrophobicContact CE2-CD1 3.87Å; F270-F291 AromaticContact CE2-CE1 3.98Å; F270-F291 HydrophobicContact CE2-CE1 3.98Å; F270-I292 CarbonylContact C-O 3.59Å; F270-I292 WeakPolarHBondContact CA-O 3.37Å; F270-I292 WeakPolarHBondContact CB-O 3.32Å; F270-F293 HydrophobicContact CB-CD1 4.05Å; F270-F293 HydrophobicContact CB-CE1 3.91Å; F270-F293 HydrophobicContact CB-CG 4.47Å; F270-F293 HydrophobicContact CB-CZ 4.18Å; F270-F293 HydrophobicContact CG-CE1 4.43Å; F270-F293 HydrophobicContact CG-CZ 4.49Å
271	K	97.3	Very high	95.9	Very high	64 Å²	64	62 Å²	62	28%	0.278	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	119	173.2	-176.7	66.3	171.2	-170.5	0	109	I259 I261 Y269 V273 I292 F294	I259-K271 HydrophobicContact CG2-CG 4.06Å; I261-K271 HydrophobicContact CD1-CB 4.33Å; Y269-K271 HydrophobicContact CE1-CB 4.33Å; K271-V273 HydrophobicContact CG-CG2 4.37Å; K271-I292 HydrophobicContact CB-CB 4.27Å; K271-I292 PolarHBondContact N-O 3.11Å; K271-I292 PolarHBondContact O-N 3.16Å; K271-F294 HydrophobicContact CB-CE2 4.31Å; K271-F294 HydrophobicContact CB-CZ 4.45Å
272	K	97.6	Very high	95.7	Very high	98 Å²	98	69.2 Å²	69.2	43%	0.426	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	131.1	169	-177.4	-179.4	177.4	171.8	0	109.7	F270 D289 F291	F270-K272 HydrophobicContact CE2-CB 4.48Å; K272-D289 WeakPolarHBondContact CE-OD2 3.46Å; K272-D289 HydrophobicContact CG-CB 4.37Å; K272-D289 IonicContact NZ-OD2 2.68Å; K272-D289 PolarHBondContact NZ-OD2 3.49Å; K272-F291 HydrophobicContact CB-CD1 4.43Å; K272-F291 HydrophobicContact CB-CE1 4.28Å; K272-F291 HydrophobicContact CD-CE1 4.16Å; K272-F291 HydrophobicContact CD-CZ 4.22Å; K272-F291 HydrophobicContact CG-CE1 4.09Å; K272-F291 HydrophobicContact CG-CZ 4.3Å
273	V	97.6	Very high	95.6	Very high	23 Å²	23	65.8 Å²	65.8	14%	0.139	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	101.8	173.2	-172	0	0	0	0	107.7	I259 K271 E276 L290 I292	I259-V273 HydrophobicContact CD1-CG2 3.69Å; I259-V273 HydrophobicContact CG1-CG2 4.29Å; I259-V273 HydrophobicContact CG2-CG2 4.38Å; K271-V273 HydrophobicContact CG-CG2 4.37Å; V273-E276 HydrophobicContact CG1-CB 4.08Å; V273-E276 HydrophobicContact CG1-CG 3.74Å; V273-L290 HydrophobicContact CB-CB 4.21Å; V273-L290 PolarHBondContact N-O 2.95Å; V273-L290 PolarHBondContact O-N 3.33Å; V273-I292 HydrophobicContact CG2-CD1 4.02Å
274	P	97.6	Very high	95.5	Very high	95 Å²	95	64.4 Å²	64.4	62%	0.617	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	140.4	-174.9	-23.3	34	0	0	0	113.1	E276 D289	P274-E276 VanDerWaalsContact C-N 3.27Å; P274-E276 PolarHBondContact O-N 3.03Å; P274-D289 WeakPolarHBondContact CA-OD1 3.39Å
275	G	96.3	Very high	95.5	Very high	32 Å²	32	65 Å²	65	33%	0.33	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	8.1	173.2	0	0	0	0	0	116.1	K287 G288 D289	G275-K287 WeakPolarHBondContact O-CB 3.21Å; G275-K287 WeakPolarHBondContact O-CD 3.3Å; G275-G288 CarbonylContact C-O 3.25Å; G275-G288 VanDerWaalsContact C-O 3.26Å; G275-G288 WeakPolarHBondContact CA-O 3.42Å; G275-G288 PolarHBondContact N-O 3.31Å; G275-D289 PolarHBondContact N-OD1 3.19Å
276	E	97.1	Very high	95.4	Very high	37 Å²	37	70.9 Å²	70.9	17%	0.173	37%	0.371	C	S	.	.			trans	-106.4	19.3	179	-66.7	-67.5	176.5	0	0	112.9	R255 L257 V273 P274 G288 L290	R255-E276 IonicContact CZ-OE1 3.63Å; R255-E276 IonicContact CZ-OE2 3.64Å; R255-E276 IonicContact NH1-OE1 2.96Å; R255-E276 PolarHBondContact NH1-OE1 3.03Å; R255-E276 IonicContact NH1-OE2 3.73Å; R255-E276 IonicContact NH2-OE1 3.37Å; R255-E276 PolarHBondContact NH2-OE1 3.34Å; R255-E276 IonicContact NH2-OE2 2.74Å; R255-E276 PolarHBondContact NH2-OE2 2.81Å; L257-E276 HydrophobicContact CD1-CB 4.16Å; L257-E276 HydrophobicContact CD1-CG 3.71Å; V273-E276 HydrophobicContact CG1-CB 4.08Å; V273-E276 HydrophobicContact CG1-CG 3.74Å; P274-E276 VanDerWaalsContact C-N 3.27Å; P274-E276 PolarHBondContact O-N 3.03Å; E276-G288 PolarHBondContact N-O 3.24Å; E276-L290 HydrophobicContact CB-CB 3.89Å; E276-L290 HydrophobicContact CB-CD2 4.49Å
277	G	97.1	Very high	95.6	Very high	0 Å²	0	69 Å²	69	0%	0	36%	0.362	C	S	.	.	S	Bend	trans	-91.3	-152.9	173.3	0	0	0	0	0	114.1	G288	G277-G288 WeakPolarHBondContact CA-O 3.48Å; G277-G288 PolarHBondContact N-O 3.47Å
278	M	97.8	Very high	95.7	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-81.8	151.4	177.5	-64.1	-67.1	-69.3	0	0	111.5	L151 F152 R225 D228 L230 L252 K287 G288	L151-M278 HydrophobicContact CB-CE 3.73Å; F152-M278 HydrophobicContact CB-CE 4.09Å; F152-M278 HydrophobicContact CB-SD 4.35Å; F152-M278 HydrophobicContact CD2-SD 4.09Å; R225-M278 HydrophobicContact CG-CG 4.03Å; D228-M278 WeakPolarHBondContact O-CB 3.47Å; D228-M278 PolarHBondContact O-N 2.6Å; L230-M278 HydrophobicContact CD1-CG 4.46Å; L230-M278 HydrophobicContact CD1-SD 4.25Å; L230-M278 HydrophobicContact CD2-CG 3.71Å; L230-M278 HydrophobicContact CD2-SD 3.85Å; L230-M278 HydrophobicContact CG-CG 3.99Å; L230-M278 HydrophobicContact CG-SD 4.31Å; L252-M278 HydrophobicContact CD1-SD 3.53Å; L252-M278 VanDerWaalsContact CD1-SD 3.53Å; M278-K287 CarbonylContact O-C 3.56Å; M278-K287 VanDerWaalsContact O-CA 3.24Å; M278-K287 WeakPolarHBondContact O-CA 3.35Å; M278-G288 PolarHBondContact O-N 2.99Å
279	P	97.6	Very high	95.9	Very high	4 Å²	4	57 Å²	57	3%	0.026	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-61.1	146.8	173	-19.2	31.1	0	0	0	112.2	F152 P186 G187 K286	F152-P279 HydrophobicContact CD2-CG 4.16Å; F152-P279 HydrophobicContact CE2-CG 4.47Å; F152-P279 HydrophobicContact CG-CG 4.41Å; F152-P279 WeakPolarHBondContact O-CG 3.41Å; P186-P279 HydrophobicContact CB-CB 4.27Å; P186-P279 HydrophobicContact CB-CG 4.36Å; G187-P279 WeakPolarHBondContact CA-O 3.38Å; P279-K286 WeakPolarHBondContact CA-O 3.39Å
280	L	95.2	Very high	95.9	Very high	46 Å²	46	55.5 Å²	55.5	24%	0.241	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-77.6	137	173.6	-75.1	138.3	0	0	0	110.5	E282 D283 K286	L280-E282 VanDerWaalsContact C-N 3.3Å; L280-E282 PolarHBondContact O-N 3.44Å; L280-D283 CarbonylContact O-C 3.52Å; L280-D283 VanDerWaalsContact O-C 3.25Å; L280-D283 PolarHBondContact O-N 2.86Å; L280-K286 HydrophobicContact CD1-CB 3.46Å; L280-K286 VanDerWaalsContact CD1-CB 3.46Å; L280-K286 PolarHBondContact N-O 3.02Å
281	P	91.7	Very high	96	Very high	50 Å²	50	52.3 Å²	52.3	33%	0.325	28%	0.282	S	S	.	.	S	Bend	trans	-58.8	-36.8	178.6	-24	31.9	0	0	0	114.3	G187	G187-P281 WeakPolarHBondContact O-CG 3.16Å
282	E	91.4	Very high	96.1	Very high	152 Å²	152	49.2 Å²	49.2	71%	0.71	27%	0.269	S	S	*	.	S	Bend	trans	-77.7	-34.9	-177.4	-60.2	76.8	-166.7	0	0	112.3	L280	L280-E282 VanDerWaalsContact C-N 3.3Å; L280-E282 PolarHBondContact O-N 3.44Å
283	D	93.5	Very high	96	Very high	52 Å²	52	48 Å²	48	28%	0.278	26%	0.263	S	S	.	.			trans	-142.4	90.6	-178.3	-178.1	2.4	0	0	0	110.1	L280 T285 K286	L280-D283 CarbonylContact O-C 3.52Å; L280-D283 VanDerWaalsContact O-C 3.25Å; L280-D283 PolarHBondContact O-N 2.86Å; D283-T285 PolarHBondContact O-N 3.42Å; D283-T285 WeakPolarHBondContact OD1-CB 3.42Å; D283-T285 PolarHBondContact OD1-N 2.91Å; D283-T285 PolarHBondContact OD1-OG1 3.5Å; D283-T285 PolarHBondContact OD2-OG1 3.2Å; D283-K286 PolarHBondContact O-N 3.42Å; D283-K286 WeakPolarHBondContact OD2-CD 3.34Å; D283-K286 VanDerWaalsContact OD2-CE 3.25Å; D283-K286 WeakPolarHBondContact OD2-CE 3.4Å; D283-K286 IonicContact OD2-NZ 3.45Å; D283-K286 PolarHBondContact OD2-NZ 3.31Å
284	P	91.6	Very high	96	Very high	65 Å²	65	47.7 Å²	47.7	42%	0.422	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-12.3	-178.2	-26.1	36	0	0	0	114.8	P186 K286	P186-P284 HydrophobicContact CB-CB 4.22Å; P284-K286 VanDerWaalsContact C-N 3.25Å
285	T	92.9	Very high	96	Very high	119 Å²	119	47.4 Å²	47.4	73%	0.73	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-23.4	175.8	72.2	0	0	0	0	112	D283	D283-T285 PolarHBondContact O-N 3.42Å; D283-T285 WeakPolarHBondContact OD1-CB 3.42Å; D283-T285 PolarHBondContact OD1-N 2.91Å; D283-T285 PolarHBondContact OD1-OG1 3.5Å; D283-T285 PolarHBondContact OD2-OG1 3.2Å
286	K	95.8	Very high	96	Very high	128 Å²	128	47 Å²	47	56%	0.557	24%	0.243	S	C	*	.	S	Bend	trans	-99.3	150.1	175.2	-64.9	176	-172.1	160.7	0	109.9	P279 L280 D283 P284	P279-K286 WeakPolarHBondContact CA-O 3.39Å; L280-K286 HydrophobicContact CD1-CB 3.46Å; L280-K286 VanDerWaalsContact CD1-CB 3.46Å; L280-K286 PolarHBondContact N-O 3.02Å; D283-K286 PolarHBondContact O-N 3.42Å; D283-K286 WeakPolarHBondContact OD2-CD 3.34Å; D283-K286 VanDerWaalsContact OD2-CE 3.25Å; D283-K286 WeakPolarHBondContact OD2-CE 3.4Å; D283-K286 IonicContact OD2-NZ 3.45Å; D283-K286 PolarHBondContact OD2-NZ 3.31Å; P284-K286 VanDerWaalsContact C-N 3.25Å
287	K	96.8	Very high	96	Very high	60 Å²	60	50.1 Å²	50.1	26%	0.261	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-128.3	155.5	179.4	-64.9	174.6	-178	172.1	0	110	F152 G275 M278	F152-K287 HydrophobicContact CE2-CD 4.32Å; F152-K287 HydrophobicContact CZ-CD 4.43Å; G275-K287 WeakPolarHBondContact O-CB 3.21Å; G275-K287 WeakPolarHBondContact O-CD 3.3Å; M278-K287 CarbonylContact O-C 3.56Å; M278-K287 VanDerWaalsContact O-CA 3.24Å; M278-K287 WeakPolarHBondContact O-CA 3.35Å
288	G	97.1	Very high	95.9	Very high	9 Å²	9	57 Å²	57	9%	0.093	29%	0.288	C	S	.	.			trans	-69.5	-162.4	163.9	0	0	0	0	0	111.7	D228 G275 E276 G277 M278	D228-G288 WeakPolarHBondContact O-CA 3.46Å; G275-G288 CarbonylContact C-O 3.25Å; G275-G288 VanDerWaalsContact C-O 3.26Å; G275-G288 WeakPolarHBondContact CA-O 3.42Å; G275-G288 PolarHBondContact N-O 3.31Å; E276-G288 PolarHBondContact N-O 3.24Å; G277-G288 WeakPolarHBondContact CA-O 3.48Å; G277-G288 PolarHBondContact N-O 3.47Å; M278-G288 PolarHBondContact O-N 2.99Å
289	D	98.3	Very high	95.8	Very high	30 Å²	30	60.2 Å²	60.2	16%	0.16	31%	0.309	C	S	.	.			trans	-112.4	154	-170.7	-56.3	-46.3	0	0	0	112.1	N229 L230 K272 P274 G275 F291	N229-D289 CarbonylContact C-O 3.26Å; N229-D289 VanDerWaalsContact CA-O 3.26Å; N229-D289 WeakPolarHBondContact CA-O 3.18Å; N229-D289 WeakPolarHBondContact CB-O 3.46Å; N229-D289 PolarHBondContact OD1-N 2.82Å; L230-D289 PolarHBondContact N-O 3.42Å; K272-D289 WeakPolarHBondContact CE-OD2 3.46Å; K272-D289 HydrophobicContact CG-CB 4.37Å; K272-D289 IonicContact NZ-OD2 2.68Å; K272-D289 PolarHBondContact NZ-OD2 3.49Å; P274-D289 WeakPolarHBondContact CA-OD1 3.39Å; G275-D289 PolarHBondContact N-OD1 3.19Å; D289-F291 HydrophobicContact CB-CD2 4.45Å; D289-F291 HydrophobicContact CB-CE2 3.82Å; D289-F291 HydrophobicContact CB-CZ 4.33Å
290	L	98.3	Very high	95.7	Very high	2 Å²	2	66.8 Å²	66.8	1%	0.01	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	126.9	169.2	172.2	68.6	0	0	0	109.6	F223 L230 F232 V249 V273 E276 I292	F223-L290 HydrophobicContact CD1-CD1 4.26Å; F223-L290 HydrophobicContact CE1-CD1 3.99Å; L230-L290 HydrophobicContact CB-CD1 3.91Å; L230-L290 CarbonylContact O-C 3.52Å; L230-L290 WeakPolarHBondContact O-CA 3.35Å; F232-L290 HydrophobicContact CB-CD1 3.96Å; V249-L290 HydrophobicContact CG1-CD2 4.12Å; V273-L290 HydrophobicContact CB-CB 4.21Å; V273-L290 PolarHBondContact N-O 2.95Å; V273-L290 PolarHBondContact O-N 3.33Å; E276-L290 HydrophobicContact CB-CB 3.89Å; E276-L290 HydrophobicContact CB-CD2 4.49Å; L290-I292 HydrophobicContact CD2-CD1 4.22Å; L290-I292 HydrophobicContact CD2-CG1 4.16Å; L290-I292 HydrophobicContact CG-CG1 4.07Å
291	F	98.3	Very high	95.6	Very high	32 Å²	32	75.3 Å²	75.3	14%	0.14	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	119.1	173.6	-66.6	-95.4	0	0	0	109.6	N229 L230 F231 F232 F270 K272 D289 F293	N229-F291 HydrophobicContact CB-CD2 4.07Å; N229-F291 HydrophobicContact CB-CE2 3.89Å; L230-F291 PolarHBondContact O-N 2.99Å; F231-F291 WeakPolarHBondContact CA-O 3.4Å; F231-F291 HydrophobicContact CD1-CB 4.14Å; F231-F291 HydrophobicContact CE1-CB 4.2Å; F231-F291 HydrophobicContact CE1-CD2 4.48Å; F231-F291 HydrophobicContact CE1-CG 4.36Å; F231-F291 HydrophobicContact CE2-CD2 4.4Å; F231-F291 HydrophobicContact CZ-CD2 4.17Å; F231-F291 HydrophobicContact CZ-CG 4.49Å; F232-F291 PolarHBondContact N-O 2.72Å; F270-F291 AromaticContact CD2-CD1 3.8Å; F270-F291 HydrophobicContact CD2-CD1 3.8Å; F270-F291 HydrophobicContact CD2-CE1 4.37Å; F270-F291 AromaticContact CE2-CD1 3.87Å; F270-F291 HydrophobicContact CE2-CD1 3.87Å; F270-F291 AromaticContact CE2-CE1 3.98Å; F270-F291 HydrophobicContact CE2-CE1 3.98Å; K272-F291 HydrophobicContact CB-CD1 4.43Å; K272-F291 HydrophobicContact CB-CE1 4.28Å; K272-F291 HydrophobicContact CD-CE1 4.16Å; K272-F291 HydrophobicContact CD-CZ 4.22Å; K272-F291 HydrophobicContact CG-CE1 4.09Å; K272-F291 HydrophobicContact CG-CZ 4.3Å; D289-F291 HydrophobicContact CB-CD2 4.45Å; D289-F291 HydrophobicContact CB-CE2 3.82Å; D289-F291 HydrophobicContact CB-CZ 4.33Å; F291-F293 HydrophobicContact CB-CD2 4.44Å; F291-F293 HydrophobicContact CB-CE2 3.77Å
292	I	97.9	Very high	95.7	Very high	0 Å²	0	76 Å²	76	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	116.1	178.6	-55.2	173.7	0	0	0	108.7	F232 N234 V247 V249 I259 F270 K271 V273 L290 F294	F232-I292 HydrophobicContact CD1-CG1 4.33Å; F232-I292 HydrophobicContact CD1-CG2 4.01Å; F232-I292 CarbonylContact O-C 3.56Å; F232-I292 WeakPolarHBondContact O-CA 3.42Å; N234-I292 HydrophobicContact CB-CG2 4.14Å; V247-I292 HydrophobicContact CG1-CG2 4.49Å; V249-I292 HydrophobicContact CG2-CD1 3.88Å; I259-I292 HydrophobicContact CD1-CD1 3.5Å; F270-I292 CarbonylContact C-O 3.59Å; F270-I292 WeakPolarHBondContact CA-O 3.37Å; F270-I292 WeakPolarHBondContact CB-O 3.32Å; K271-I292 HydrophobicContact CB-CB 4.27Å; K271-I292 PolarHBondContact N-O 3.11Å; K271-I292 PolarHBondContact O-N 3.16Å; V273-I292 HydrophobicContact CG2-CD1 4.02Å; L290-I292 HydrophobicContact CD2-CD1 4.22Å; L290-I292 HydrophobicContact CD2-CG1 4.16Å; L290-I292 HydrophobicContact CG-CG1 4.07Å; I292-F294 HydrophobicContact CB-CE2 4.49Å; I292-F294 HydrophobicContact CB-CZ 4.24Å; I292-F294 HydrophobicContact CG2-CE1 3.85Å; I292-F294 HydrophobicContact CG2-CE2 3.98Å; I292-F294 HydrophobicContact CG2-CZ 3.44Å; I292-F294 VanDerWaalsContact CG2-CZ 3.44Å; I292-F294 WeakPolarHBondContact O-CE2 3.48Å
293	F	97.4	Very high	96	Very high	72 Å²	72	72.2 Å²	72.2	32%	0.316	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	157.6	171.1	-68.4	-93	0	0	0	109.9	F231 F232 V233 N234 F270 F291	F231-F293 HydrophobicContact CD1-CD2 4.2Å; F231-F293 AromaticContact CD1-CE2 3.43Å; F231-F293 HydrophobicContact CD1-CE2 3.43Å; F231-F293 VanDerWaalsContact CD1-CE2 3.43Å; F231-F293 HydrophobicContact CD1-CZ 4.21Å; F231-F293 AromaticContact CE1-CE2 3.85Å; F231-F293 HydrophobicContact CE1-CE2 3.85Å; F231-F293 HydrophobicContact CE1-CZ 4.25Å; F232-F293 PolarHBondContact O-N 2.93Å; V233-F293 WeakPolarHBondContact CA-O 3.27Å; V233-F293 HydrophobicContact CG2-CB 4.33Å; N234-F293 PolarHBondContact N-O 3.34Å; F270-F293 HydrophobicContact CB-CD1 4.05Å; F270-F293 HydrophobicContact CB-CE1 3.91Å; F270-F293 HydrophobicContact CB-CG 4.47Å; F270-F293 HydrophobicContact CB-CZ 4.18Å; F270-F293 HydrophobicContact CG-CE1 4.43Å; F270-F293 HydrophobicContact CG-CZ 4.49Å; F291-F293 HydrophobicContact CB-CD2 4.44Å; F291-F293 HydrophobicContact CB-CE2 3.77Å
294	F	97.1	Very high	96.1	Very high	17 Å²	17	75 Å²	75	8%	0.075	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.7	-174.6	-63	-81.8	0	0	0	111	N234 I236 V247 I261 I265 Y269 K271 I292	N234-F294 HydrophobicContact CB-CD1 4.14Å; N234-F294 HydrophobicContact CB-CE1 4.15Å; N234-F294 WeakPolarHBondContact O-CA 3.2Å; I236-F294 HydrophobicContact CD1-CB 4.03Å; I236-F294 HydrophobicContact CD1-CD1 3.65Å; I236-F294 HydrophobicContact CD1-CG 4.06Å; I236-F294 HydrophobicContact CG1-CB 4.23Å; I236-F294 HydrophobicContact CG1-CD1 4.11Å; I236-F294 HydrophobicContact CG2-CD1 4Å; I236-F294 HydrophobicContact CG2-CE1 4.48Å; V247-F294 HydrophobicContact CG2-CE1 3.66Å; V247-F294 HydrophobicContact CG2-CZ 4.09Å; I261-F294 HydrophobicContact CD1-CE1 3.74Å; I261-F294 HydrophobicContact CD1-CE2 3.99Å; I261-F294 HydrophobicContact CD1-CZ 3.15Å; I265-F294 HydrophobicContact CD1-CD1 4.11Å; I265-F294 HydrophobicContact CD1-CE1 4.09Å; I265-F294 HydrophobicContact CD1-CG 4.33Å; I265-F294 HydrophobicContact CD1-CZ 4.33Å; I265-F294 HydrophobicContact CG2-CB 3.55Å; I265-F294 HydrophobicContact CG2-CD1 4.27Å; I265-F294 HydrophobicContact CG2-CD2 3.62Å; I265-F294 HydrophobicContact CG2-CE2 4.47Å; I265-F294 HydrophobicContact CG2-CG 3.52Å; Y269-F294 AromaticContact CD1-CD2 3.88Å; Y269-F294 HydrophobicContact CD1-CD2 3.88Å; Y269-F294 AromaticContact CD1-CE2 3.78Å; Y269-F294 HydrophobicContact CD1-CE2 3.78Å; Y269-F294 HydrophobicContact CE1-CD2 4.45Å; Y269-F294 AromaticContact CE1-CE2 3.91Å; Y269-F294 HydrophobicContact CE1-CE2 3.91Å; K271-F294 HydrophobicContact CB-CE2 4.31Å; K271-F294 HydrophobicContact CB-CZ 4.45Å; I292-F294 HydrophobicContact CB-CE2 4.49Å; I292-F294 HydrophobicContact CB-CZ 4.24Å; I292-F294 HydrophobicContact CG2-CE1 3.85Å; I292-F294 HydrophobicContact CG2-CE2 3.98Å; I292-F294 HydrophobicContact CG2-CZ 3.44Å; I292-F294 VanDerWaalsContact CG2-CZ 3.44Å; I292-F294 WeakPolarHBondContact O-CE2 3.48Å
295	D	96.7	Very high	96.4	Very high	88 Å²	88	78.7 Å²	78.7	47%	0.471	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	104.1	167.2	178.6	29.4	0	0	0	108.6	V233 N234 P235 I236 Q297	V233-D295 HydrophobicContact CG1-CB 4.07Å; N234-D295 PolarHBondContact O-N 2.87Å; P235-D295 WeakPolarHBondContact CA-O 3.4Å; I236-D295 PolarHBondContact N-O 3.28Å; D295-Q297 PolarHBondContact O-N 3.2Å
296	I	97	Very high	96.4	Very high	24 Å²	24	78.9 Å²	78.9	12%	0.123	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	111	-173.3	-56.9	171.5	0	0	0	109.5	I236 L238 A241 I265 P267 F298	I236-I296 HydrophobicContact CG1-CG1 4.44Å; L238-I296 HydrophobicContact CB-CG2 4.18Å; L238-I296 HydrophobicContact CD1-CG2 3.81Å; A241-I296 HydrophobicContact CB-CD1 4.48Å; A241-I296 HydrophobicContact CB-CG1 4.43Å; A241-I296 HydrophobicContact CB-CG2 4.24Å; I265-I296 HydrophobicContact CG2-CD1 4.35Å; I265-I296 WeakPolarHBondContact O-CD1 3.47Å; P267-I296 HydrophobicContact CG-CD1 4.21Å; I296-F298 HydrophobicContact CG2-CD2 4.36Å; I296-F298 HydrophobicContact CG2-CE2 4.02Å; I296-F298 PolarHBondContact O-N 2.83Å
297	Q	96.8	Very high	96.3	Very high	102 Å²	102	78.9 Å²	78.9	48%	0.477	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	112.6	-179.7	-61.6	-175.1	-11.7	0	0	110.8	I236 L238 D295	I236-Q297 PolarHBondContact O-N 2.9Å; L238-Q297 PolarHBondContact N-O 3.48Å; D295-Q297 PolarHBondContact O-N 3.2Å
298	F	95.6	Very high	96.2	Very high	145 Å²	145	81.9 Å²	81.9	64%	0.636	40%	0.404	S	S	*	.			trans	-77.9	140.1	174.8	-79	-105.7	0	0	0	110.8	L238 I296 T300	L238-F298 HydrophobicContact CD1-CE1 4.11Å; L238-F298 HydrophobicContact CD1-CE2 4.42Å; L238-F298 HydrophobicContact CD1-CZ 3.96Å; L238-F298 HydrophobicContact CD2-CD1 3.69Å; L238-F298 HydrophobicContact CD2-CE1 3.62Å; L238-F298 HydrophobicContact CD2-CG 4.43Å; L238-F298 HydrophobicContact CD2-CZ 4.31Å; L238-F298 HydrophobicContact CG-CE1 4.44Å; I296-F298 HydrophobicContact CG2-CD2 4.36Å; I296-F298 HydrophobicContact CG2-CE2 4.02Å; I296-F298 PolarHBondContact O-N 2.83Å; F298-T300 PolarHBondContact O-N 3.03Å
299	P	94.3	Very high	96.1	Very high	67 Å²	67	87.2 Å²	87.2	44%	0.435	43%	0.428	S	S	.	.			trans	-65.6	133.6	173.1	27.9	-33.2	0	0	0	110.1	R301 L302	P299-R301 VanDerWaalsContact C-N 3.31Å; P299-R301 PolarHBondContact O-N 3.45Å; P299-L302 HydrophobicContact CB-CD2 4.18Å; P299-L302 HydrophobicContact CG-CD1 4.36Å; P299-L302 HydrophobicContact CG-CD2 3.91Å; P299-L302 HydrophobicContact CG-CG 4.16Å
300	T	95.9	Very high	95.8	Very high	142 Å²	142	89.4 Å²	89.4	87%	0.871	44%	0.439	S	S	*	.	S	Bend	trans	-73	-23.7	178.9	54.1	0	0	0	0	113.1	F298	F298-T300 PolarHBondContact O-N 3.03Å
301	R	94.4	Very high	95.4	Very high	225 Å²	225	97.8 Å²	97.8	85%	0.849	47%	0.471	S	S	*	.			trans	-143	146.9	179.6	-60.8	-175	-178.1	-138.2	-0.2	111.2	P299	P299-R301 VanDerWaalsContact C-N 3.31Å; P299-R301 PolarHBondContact O-N 3.45Å
302	L	93.7	Very high	95.2	Very high	66 Å²	66	102.2 Å²	102.2	35%	0.346	49%	0.492	S	S	.	.			trans	-137.1	138.6	175.6	-69.6	172.8	0	0	0	110.3	P299 K306 K307 L310	P299-L302 HydrophobicContact CB-CD2 4.18Å; P299-L302 HydrophobicContact CG-CD1 4.36Å; P299-L302 HydrophobicContact CG-CD2 3.91Å; P299-L302 HydrophobicContact CG-CG 4.16Å; L302-K306 HydrophobicContact CD2-CB 4.5Å; L302-K306 HydrophobicContact CD2-CD 4.5Å; L302-K307 HydrophobicContact CB-CG 3.84Å; L302-K307 HydrophobicContact CD1-CG 4.44Å; L302-K307 WeakPolarHBondContact O-CE 3.41Å; L302-L310 HydrophobicContact CD1-CD1 3.77Å
303	T	96.6	Very high	94.9	Very high	72 Å²	72	105.7 Å²	105.7	44%	0.442	52%	0.521	S	S	.	.			trans	-70.4	154.1	174.6	61.2	0	0	0	0	110.9	Q305 K306 K307	T303-Q305 VanDerWaalsContact C-N 3.26Å; T303-Q305 PolarHBondContact O-N 2.77Å; T303-K306 PolarHBondContact O-N 3.46Å; T303-K306 VanDerWaalsContact O-N 3.12Å; T303-K306 WeakPolarHBondContact OG1-CG 3.42Å; T303-K306 PolarHBondContact OG1-N 3.43Å; T303-K307 PolarHBondContact O-N 2.97Å
304	P	96.4	Very high	94.5	Very high	111 Å²	111	107.3 Å²	107.3	72%	0.721	53%	0.532	S	S	*	.	H	α-helix	trans	-54	-42.1	178.5	-27	35.1	0	0	0	113	K307 Q308	P304-K307 WeakPolarHBondContact O-CB 3.42Å; P304-K307 PolarHBondContact O-N 3.36Å; P304-Q308 PolarHBondContact O-N 3.01Å
305	Q	96.4	Very high	94.1	Very high	141 Å²	141	112.7 Å²	112.7	66%	0.659	56%	0.561	S	S	*	*	H	α-helix	trans	-60.6	-46.6	176.8	-169.9	-179	11.9	0	0	112.2	T303 K307 Q308 M309	T303-Q305 VanDerWaalsContact C-N 3.26Å; T303-Q305 PolarHBondContact O-N 2.77Å; Q305-K307 VanDerWaalsContact C-N 3.31Å; Q305-K307 PolarHBondContact O-N 3.46Å; Q305-Q308 PolarHBondContact O-N 3.19Å; Q305-M309 WeakPolarHBondContact O-CG 3.26Å; Q305-M309 PolarHBondContact O-N 2.68Å
306	K	93.6	Very high	92.2	Very high	124 Å²	124	116.3 Å²	116.3	54%	0.539	59%	0.587	S	S	.	*	H	α-helix	trans	-63.2	-37.5	176.8	-74.3	-179.3	178.2	-176.6	0	111.9	L302 T303 M309 L310	L302-K306 HydrophobicContact CD2-CB 4.5Å; L302-K306 HydrophobicContact CD2-CD 4.5Å; T303-K306 PolarHBondContact O-N 3.46Å; T303-K306 VanDerWaalsContact O-N 3.12Å; T303-K306 WeakPolarHBondContact OG1-CG 3.42Å; T303-K306 PolarHBondContact OG1-N 3.43Å; K306-M309 PolarHBondContact O-N 2.82Å; K306-L310 WeakPolarHBondContact O-CG 3.26Å; K306-L310 PolarHBondContact O-N 3.06Å
307	K	93.6	Very high	92	Very high	127 Å²	127	121 Å²	121	55%	0.552	61%	0.61	S	S	*	*	H	α-helix	trans	-63.7	-41.3	175.3	-68.9	-178.3	-178.6	-176.9	0	111.9	L302 T303 P304 Q305 L310 R311	L302-K307 HydrophobicContact CB-CG 3.84Å; L302-K307 HydrophobicContact CD1-CG 4.44Å; L302-K307 WeakPolarHBondContact O-CE 3.41Å; T303-K307 PolarHBondContact O-N 2.97Å; P304-K307 WeakPolarHBondContact O-CB 3.42Å; P304-K307 PolarHBondContact O-N 3.36Å; Q305-K307 VanDerWaalsContact C-N 3.31Å; Q305-K307 PolarHBondContact O-N 3.46Å; K307-L310 PolarHBondContact O-N 3.07Å; K307-R311 WeakPolarHBondContact O-CB 3.38Å; K307-R311 PolarHBondContact O-N 2.92Å
308	Q	94.8	Very high	91.7	Very high	124 Å²	124	121.9 Å²	121.9	58%	0.579	62%	0.617	S	S	*	*	H	α-helix	trans	-63.2	-45.2	176.4	-174.8	176	-2.2	0	0	111.6	P304 Q305 L310 R311 Q312	P304-Q308 PolarHBondContact O-N 3.01Å; Q305-Q308 PolarHBondContact O-N 3.19Å; Q308-L310 PolarHBondContact O-N 2.93Å; Q308-R311 PolarHBondContact O-N 3.4Å; Q308-Q312 PolarHBondContact O-N 2.68Å; Q308-Q312 VanDerWaalsContact O-N 3.09Å
309	M	94	Very high	91.5	Very high	120 Å²	120	120.7 Å²	120.7	59%	0.591	62%	0.616	S	S	*	*	H	α-helix	trans	-61.4	-43.9	176.3	-66.5	178.5	74.8	0	0	112.2	Q305 K306 R311 Q312 A313	Q305-M309 WeakPolarHBondContact O-CG 3.26Å; Q305-M309 PolarHBondContact O-N 2.68Å; K306-M309 PolarHBondContact O-N 2.82Å; M309-R311 VanDerWaalsContact C-N 3.33Å; M309-R311 PolarHBondContact O-N 2.66Å; M309-Q312 PolarHBondContact O-N 2.94Å; M309-A313 WeakPolarHBondContact O-CB 3.21Å; M309-A313 PolarHBondContact O-N 2.78Å
310	L	92.4	Very high	91.4	Very high	76 Å²	76	123.8 Å²	123.8	40%	0.398	63%	0.627	S	S	.	*	H	α-helix	trans	-64.2	-37.7	176.8	-73.4	170.1	0	0	0	112.3	L302 K306 K307 Q308 Q312 A313 L314	L302-L310 HydrophobicContact CD1-CD1 3.77Å; K306-L310 WeakPolarHBondContact O-CG 3.26Å; K306-L310 PolarHBondContact O-N 3.06Å; K307-L310 PolarHBondContact O-N 3.07Å; Q308-L310 PolarHBondContact O-N 2.93Å; L310-Q312 VanDerWaalsContact C-N 3.34Å; L310-Q312 PolarHBondContact O-N 2.9Å; L310-A313 PolarHBondContact O-N 3.24Å; L310-L314 HydrophobicContact CD2-CD1 4.17Å; L310-L314 WeakPolarHBondContact O-CB 2.87Å; L310-L314 PolarHBondContact O-N 2.86Å
311	R	91.3	Very high	91.1	Very high	179 Å²	179	122.7 Å²	122.7	68%	0.675	61%	0.611	S	S	*	*	H	α-helix	trans	-62.3	-42	176	-170.9	178.6	-173.7	105	0.6	111.6	K307 Q308 M309 A313 L315	K307-R311 WeakPolarHBondContact O-CB 3.38Å; K307-R311 PolarHBondContact O-N 2.92Å; Q308-R311 PolarHBondContact O-N 3.4Å; M309-R311 VanDerWaalsContact C-N 3.33Å; M309-R311 PolarHBondContact O-N 2.66Å; R311-A313 VanDerWaalsContact C-N 3.31Å; R311-L315 HydrophobicContact CG-CB 4.24Å; R311-L315 HydrophobicContact CG-CD1 4.13Å; R311-L315 WeakPolarHBondContact O-CB 3.39Å; R311-L315 PolarHBondContact O-N 3.09Å; R311-L315 VanDerWaalsContact O-N 3.11Å
312	Q	93.9	Very high	90.9	Very high	124 Å²	124	115.9 Å²	115.9	58%	0.579	60%	0.596	S	S	*	*	H	α-helix	trans	-68.8	-28	175.5	-73.1	179	-20.9	0	0	113.3	Q308 M309 L310 T316	Q308-Q312 PolarHBondContact O-N 2.68Å; Q308-Q312 VanDerWaalsContact O-N 3.09Å; M309-Q312 PolarHBondContact O-N 2.94Å; L310-Q312 VanDerWaalsContact C-N 3.34Å; L310-Q312 PolarHBondContact O-N 2.9Å; Q312-T316 PolarHBondContact O-OG1 2.67Å
313	A	90.9	Very high	90.7	Very high	73 Å²	73	119.4 Å²	119.4	60%	0.603	61%	0.613	S	S	*	*	H	α-helix	trans	-87	-31.5	-178	0	0	0	0	0	113.5	M309 L310 R311	M309-A313 WeakPolarHBondContact O-CB 3.21Å; M309-A313 PolarHBondContact O-N 2.78Å; L310-A313 PolarHBondContact O-N 3.24Å; R311-A313 VanDerWaalsContact C-N 3.31Å
314	L	89.8	Confident	90.2	Very high	106 Å²	106	123.1 Å²	123.1	56%	0.555	63%	0.627	S	S	*	*	H	α-helix	trans	-120.6	-14.5	-166.9	-59.5	177.3	0	0	0	114.9	L242 L310	L242-L314 HydrophobicContact CD1-CD1 4.33Å; L310-L314 HydrophobicContact CD2-CD1 4.17Å; L310-L314 WeakPolarHBondContact O-CB 2.87Å; L310-L314 PolarHBondContact O-N 2.86Å
315	L	87.4	Confident	89.7	Confident	130 Å²	130	124.1 Å²	124.1	68%	0.681	62%	0.619	S	S	*	*			trans	-125.1	11.6	-171.7	-62.6	175.7	0	0	0	113.8	R311	R311-L315 HydrophobicContact CG-CB 4.24Å; R311-L315 HydrophobicContact CG-CD1 4.13Å; R311-L315 WeakPolarHBondContact O-CB 3.39Å; R311-L315 PolarHBondContact O-N 3.09Å; R311-L315 VanDerWaalsContact O-N 3.11Å
316	T	57.9	Low	89.1	Confident	165 Å²	165	122.5 Å²	122.5	100%	1.012	62%	0.615	S	S	*	*			trans	-107.3	0	170.8	47	0	0	0	0	109.5	Q312	Q312-T316 PolarHBondContact O-OG1 2.67Å

Retrieved 316 of 316 residues in 2379.4 ms (Link to these results)

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