A0A3Q0KKT1_SCHMA Loading...

Leucine carboxyl methyltransferase 1

Methylates the carboxyl group of the C-terminal leucine residue of protein phosphatase 2A catalytic subunits to form alpha-leucine ester residues.

AlphaFold DB , UniProt , Accession A0A3Q0KKT1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 348 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	34.2	Very low	48.9	Very low	242 Å²	242	113.2 Å²	113.2	100%	1.192	67%	0.666	S	S	*	*				0	124	0	-83	169.7	162.1	0	0	107.1	S3	M1-S3 PolarHBondContact O-N 2.96Å
2	V	30.6	Very low	52	Low	136 Å²	136	105.5 Å²	105.5	82%	0.824	62%	0.62	S	S	*	*			trans	-68	111.2	168.7	-176.1	0	0	0	0	105.2	V4	V2-V4 PolarHBondContact O-N 3.26Å
3	S	34.6	Very low	54.8	Low	88 Å²	88	104.8 Å²	104.8	62%	0.615	61%	0.607	S	S	*	*			trans	-65.1	107.4	173.3	63.9	0	0	0	0	106.6	M1 T5	M1-S3 PolarHBondContact O-N 2.96Å; S3-T5 PolarHBondContact O-N 3.32Å
4	V	33.7	Very low	57.2	Low	129 Å²	129	100.6 Å²	100.6	78%	0.782	58%	0.581	S	S	*	*			trans	-71.4	99.9	172.8	-173.6	0	0	0	0	105.2	V2	V2-V4 PolarHBondContact O-N 3.26Å
5	T	42.5	Very low	59.2	Low	80 Å²	80	95.9 Å²	95.9	49%	0.491	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-55.3	124.1	168.3	-18.5	0	0	0	0	106.3	S3 M7	S3-T5 PolarHBondContact O-N 3.32Å; T5-M7 PolarHBondContact O-N 3.27Å
6	P	43.6	Very low	61.2	Low	104 Å²	104	91.6 Å²	91.6	68%	0.675	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-55.9	130.1	177.6	19.4	-28.9	0	0	0	108.7	S8	P6-S8 PolarHBondContact O-N 3.25Å
7	M	45.9	Very low	63	Low	187 Å²	187	92.1 Å²	92.1	92%	0.921	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-53.4	129	175.6	-80.7	-169.6	-83.3	0	0	108.7	T5 S9	T5-M7 PolarHBondContact O-N 3.27Å; M7-S9 PolarHBondContact O-N 3.12Å
8	S	59.1	Low	64.6	Low	50 Å²	50	89.1 Å²	89.1	35%	0.35	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-56.4	136.9	174.5	38.6	0	0	0	0	109.8	P6 E13	P6-S8 PolarHBondContact O-N 3.25Å; S8-E13 WeakPolarHBondContact OG-CG 3.32Å; S8-E13 PolarHBondContact OG-OE1 2.94Å
9	S	69.9	Low	66.2	Low	42 Å²	42	85.5 Å²	85.5	29%	0.294	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-69	153.4	167.6	71.2	0	0	0	0	109.4	M7 T11 D12 E13	M7-S9 PolarHBondContact O-N 3.12Å; S9-T11 PolarHBondContact O-N 3.34Å; S9-T11 VanDerWaalsContact O-N 3.1Å; S9-D12 PolarHBondContact N-OD2 3.4Å; S9-D12 WeakPolarHBondContact O-CA 2.79Å; S9-D12 WeakPolarHBondContact O-CB 3.37Å; S9-D12 PolarHBondContact O-N 3.24Å; S9-D12 PolarHBondContact OG-N 3.22Å; S9-D12 PolarHBondContact OG-OD1 2.9Å; S9-D12 PolarHBondContact OG-OD2 3.24Å; S9-E13 PolarHBondContact O-N 2.82Å; S9-E13 VanDerWaalsContact O-N 3.13Å
10	P	63.4	Low	67.6	Low	101 Å²	101	84.6 Å²	84.6	66%	0.656	48%	0.482	S	S	*	.	H	α-helix	trans	-54.2	-32.3	175	-27.3	34.9	0	0	0	112.9	E13 I14	P10-E13 PolarHBondContact O-N 3.39Å; P10-I14 WeakPolarHBondContact O-CG1 3.37Å; P10-I14 PolarHBondContact O-N 3.37Å
11	T	80.2	Confident	68.8	Low	86 Å²	86	83.3 Å²	83.3	53%	0.528	47%	0.474	S	S	.	.	H	α-helix	trans	-64.1	-39.7	173.8	-50.1	0	0	0	0	111.8	S9 I14 I15	S9-T11 PolarHBondContact O-N 3.34Å; S9-T11 VanDerWaalsContact O-N 3.1Å; T11-I14 PolarHBondContact O-N 3.28Å; T11-I15 HydrophobicContact CG2-CD1 4.13Å; T11-I15 VanDerWaalsContact O-CG1 3.3Å; T11-I15 WeakPolarHBondContact O-CG1 3.44Å; T11-I15 PolarHBondContact O-N 3.29Å
12	D	86.1	Confident	71.7	Confident	21 Å²	21	72.7 Å²	72.7	11%	0.112	42%	0.424	C	S	.	.	H	α-helix	trans	-70	-36.2	179.8	-60.6	-28.4	0	0	0	112.1	S9 I14 I15 Q16 L111 R176	S9-D12 PolarHBondContact N-OD2 3.4Å; S9-D12 WeakPolarHBondContact O-CA 2.79Å; S9-D12 WeakPolarHBondContact O-CB 3.37Å; S9-D12 PolarHBondContact O-N 3.24Å; S9-D12 PolarHBondContact OG-N 3.22Å; S9-D12 PolarHBondContact OG-OD1 2.9Å; S9-D12 PolarHBondContact OG-OD2 3.24Å; D12-I14 VanDerWaalsContact C-N 3.35Å; D12-I15 PolarHBondContact O-N 3.46Å; D12-Q16 WeakPolarHBondContact O-CB 2.99Å; D12-Q16 VanDerWaalsContact O-CG 3.22Å; D12-Q16 WeakPolarHBondContact O-CG 3.35Å; D12-Q16 PolarHBondContact O-N 3.09Å; D12-L111 HydrophobicContact CB-CD1 3.96Å; D12-R176 IonicContact OD1-CZ 2.81Å; D12-R176 IonicContact OD1-NH1 2.97Å; D12-R176 PolarHBondContact OD1-NH1 3.01Å; D12-R176 IonicContact OD1-NH2 2.68Å; D12-R176 PolarHBondContact OD1-NH2 3.44Å; D12-R176 IonicContact OD2-NH2 3.3Å
13	E	89.1	Confident	74.9	Confident	97 Å²	97	66.5 Å²	66.5	45%	0.453	39%	0.387	S	S	.	.	H	α-helix	trans	-62.3	-44	174.7	-67.6	176.5	-176.2	0	0	110.9	S8 S9 P10 I15 Q16 L17	S8-E13 WeakPolarHBondContact OG-CG 3.32Å; S8-E13 PolarHBondContact OG-OE1 2.94Å; S9-E13 PolarHBondContact O-N 2.82Å; S9-E13 VanDerWaalsContact O-N 3.13Å; P10-E13 PolarHBondContact O-N 3.39Å; E13-I15 VanDerWaalsContact C-N 3.34Å; E13-I15 PolarHBondContact O-N 3.09Å; E13-Q16 PolarHBondContact O-N 3.43Å; E13-L17 WeakPolarHBondContact O-CG 3.43Å; E13-L17 PolarHBondContact O-N 3.09Å
14	I	88.7	Confident	77.9	Confident	46 Å²	46	63.1 Å²	63.1	24%	0.236	36%	0.363	C	S	.	.	H	α-helix	trans	-62.7	-41.3	175.3	-62.8	-60.1	0	0	0	111.5	P10 T11 D12 L17 T18 C258	P10-I14 WeakPolarHBondContact O-CG1 3.37Å; P10-I14 PolarHBondContact O-N 3.37Å; T11-I14 PolarHBondContact O-N 3.28Å; D12-I14 VanDerWaalsContact C-N 3.35Å; I14-L17 HydrophobicContact CD1-CD1 4.25Å; I14-L17 PolarHBondContact O-N 3.45Å; I14-T18 WeakPolarHBondContact O-CG2 3.32Å; I14-T18 PolarHBondContact O-N 3.05Å; I14-C258 HydrophobicContact CG2-CB 4.1Å
15	I	87	Confident	80.9	Confident	30 Å²	30	57 Å²	57	15%	0.154	33%	0.326	C	S	.	.	H	α-helix	trans	-64.3	-40.8	175.8	-67.1	164.9	0	0	0	110.6	T11 D12 E13 L17 T18 Y211	T11-I15 HydrophobicContact CG2-CD1 4.13Å; T11-I15 VanDerWaalsContact O-CG1 3.3Å; T11-I15 WeakPolarHBondContact O-CG1 3.44Å; T11-I15 PolarHBondContact O-N 3.29Å; D12-I15 PolarHBondContact O-N 3.46Å; E13-I15 VanDerWaalsContact C-N 3.34Å; E13-I15 PolarHBondContact O-N 3.09Å; I15-L17 VanDerWaalsContact C-N 3.31Å; I15-L17 PolarHBondContact O-N 3.22Å; I15-T18 PolarHBondContact O-N 2.86Å; I15-T18 VanDerWaalsContact O-N 3.13Å; I15-T18 PolarHBondContact O-OG1 3.43Å; I15-Y211 HydrophobicContact CG1-CD1 4.29Å; I15-Y211 HydrophobicContact CG1-CG 4.26Å; I15-Y211 HydrophobicContact CG2-CD2 4.39Å
16	Q	91.2	Very high	83.6	Confident	26 Å²	26	54.1 Å²	54.1	12%	0.121	31%	0.306	C	S	.	.	H	α-helix	trans	-64.2	-36.2	176.3	-72.2	168.1	13.1	0	0	112	D12 E13 T18 N19 D20 L111	D12-Q16 WeakPolarHBondContact O-CB 2.99Å; D12-Q16 VanDerWaalsContact O-CG 3.22Å; D12-Q16 WeakPolarHBondContact O-CG 3.35Å; D12-Q16 PolarHBondContact O-N 3.09Å; E13-Q16 PolarHBondContact O-N 3.43Å; Q16-T18 PolarHBondContact O-N 3.18Å; Q16-N19 WeakPolarHBondContact O-CB 3.31Å; Q16-N19 PolarHBondContact O-N 3.06Å; Q16-N19 VanDerWaalsContact O-N 3.11Å; Q16-D20 PolarHBondContact O-N 2.82Å; Q16-L111 HydrophobicContact CG-CD1 4.25Å
17	L	91.1	Very high	86.2	Confident	101 Å²	101	49.4 Å²	49.4	53%	0.529	28%	0.277	S	S	.	.	H	α-helix	trans	-63.5	-26.1	174.4	-70.4	173.4	0	0	0	113.1	E13 I14 I15 N19 D20 D21	E13-L17 WeakPolarHBondContact O-CG 3.43Å; E13-L17 PolarHBondContact O-N 3.09Å; I14-L17 HydrophobicContact CD1-CD1 4.25Å; I14-L17 PolarHBondContact O-N 3.45Å; I15-L17 VanDerWaalsContact C-N 3.31Å; I15-L17 PolarHBondContact O-N 3.22Å; L17-N19 VanDerWaalsContact C-N 3.34Å; L17-D20 PolarHBondContact O-N 2.8Å; L17-D21 PolarHBondContact O-N 2.85Å
18	T	91.4	Very high	88.7	Confident	37 Å²	37	42.1 Å²	42.1	23%	0.227	24%	0.239	C	C	.	.	H	α-helix	trans	-72.2	-29.8	175.3	74.1	0	0	0	0	112.1	I14 I15 Q16 A22 Y211	I14-T18 WeakPolarHBondContact O-CG2 3.32Å; I14-T18 PolarHBondContact O-N 3.05Å; I15-T18 PolarHBondContact O-N 2.86Å; I15-T18 VanDerWaalsContact O-N 3.13Å; I15-T18 PolarHBondContact O-OG1 3.43Å; Q16-T18 PolarHBondContact O-N 3.18Å; T18-A22 VanDerWaalsContact O-CB 3.29Å; T18-A22 WeakPolarHBondContact O-CB 3.36Å; T18-A22 PolarHBondContact O-N 2.59Å; T18-Y211 WeakPolarHBondContact CB-OH 3.36Å; T18-Y211 HydrophobicContact CG2-CE1 4.31Å; T18-Y211 WeakPolarHBondContact CG2-OH 3.44Å; T18-Y211 PolarHBondContact OG1-OH 2.64Å
19	N	94.8	Very high	90.5	Very high	21 Å²	21	39.7 Å²	39.7	11%	0.112	22%	0.222	C	C	.	.	H	α-helix	trans	-62.3	-44.9	168.2	167.3	60.2	0	0	0	111.2	Q16 L17 A22 T23 G88 S89	Q16-N19 WeakPolarHBondContact O-CB 3.31Å; Q16-N19 PolarHBondContact O-N 3.06Å; Q16-N19 VanDerWaalsContact O-N 3.11Å; L17-N19 VanDerWaalsContact C-N 3.34Å; N19-A22 PolarHBondContact O-N 2.94Å; N19-T23 WeakPolarHBondContact O-CB 3.47Å; N19-T23 PolarHBondContact O-N 2.88Å; N19-T23 PolarHBondContact O-OG1 3.25Å; N19-T23 PolarHBondContact OD1-OG1 3Å; N19-G88 VanDerWaalsContact OD1-CA 3.27Å; N19-G88 WeakPolarHBondContact OD1-CA 3.28Å; N19-S89 PolarHBondContact ND2-OG 2.77Å; N19-S89 PolarHBondContact OD1-N 3.02Å
20	D	94.2	Very high	91.8	Very high	67 Å²	67	39 Å²	39	36%	0.358	22%	0.216	S	C	.	.	H	α-helix	trans	-66.1	-41.4	179.1	-71	-17.2	0	0	0	112.3	Q16 L17 T23 S24	Q16-D20 PolarHBondContact O-N 2.82Å; L17-D20 PolarHBondContact O-N 2.8Å; D20-T23 PolarHBondContact O-N 2.91Å; D20-S24 WeakPolarHBondContact O-CB 3.14Å; D20-S24 PolarHBondContact O-N 2.75Å; D20-S24 PolarHBondContact O-OG 2.85Å
21	D	93.9	Very high	93.4	Very high	59 Å²	59	37.9 Å²	37.9	32%	0.316	21%	0.211	S	C	.	.	H	α-helix	trans	-63.2	-43.9	174.1	-175.4	57.8	0	0	0	111.2	L17 S24 S25 K50	L17-D21 PolarHBondContact O-N 2.85Å; D21-S24 PolarHBondContact O-OG 3.09Å; D21-S25 VanDerWaalsContact O-CB 3.32Å; D21-S25 WeakPolarHBondContact O-CB 3.33Å; D21-S25 PolarHBondContact O-N 2.89Å; D21-S25 PolarHBondContact O-OG 3.12Å; D21-K50 IonicContact OD1-NZ 2.64Å; D21-K50 PolarHBondContact OD1-NZ 3.3Å
22	A	95.6	Very high	94.2	Very high	18 Å²	18	38.9 Å²	38.9	15%	0.149	21%	0.205	C	C	.	.	H	α-helix	trans	-63.1	-44.8	176.6	0	0	0	0	0	111.9	T18 N19 S25 K26 Y58	T18-A22 VanDerWaalsContact O-CB 3.29Å; T18-A22 WeakPolarHBondContact O-CB 3.36Å; T18-A22 PolarHBondContact O-N 2.59Å; N19-A22 PolarHBondContact O-N 2.94Å; A22-S25 PolarHBondContact O-N 3.39Å; A22-K26 WeakPolarHBondContact O-CB 3.32Å; A22-K26 WeakPolarHBondContact O-CG 3.4Å; A22-K26 PolarHBondContact O-N 2.94Å; A22-Y58 WeakPolarHBondContact CA-OH 3.35Å; A22-Y58 HydrophobicContact CB-CE1 4.35Å
23	T	97.3	Very high	94.7	Very high	7 Å²	7	39.6 Å²	39.6	4%	0.043	22%	0.217	C	C	.	.	H	α-helix	trans	-64.6	-44.9	179.9	-52.7	0	0	0	0	111	N19 D20 S25 K26 A27 I40 F43 C44 S89	N19-T23 WeakPolarHBondContact O-CB 3.47Å; N19-T23 PolarHBondContact O-N 2.88Å; N19-T23 PolarHBondContact O-OG1 3.25Å; N19-T23 PolarHBondContact OD1-OG1 3Å; D20-T23 PolarHBondContact O-N 2.91Å; T23-S25 PolarHBondContact O-N 2.77Å; T23-K26 PolarHBondContact O-N 3.48Å; T23-A27 VanDerWaalsContact O-CB 3.31Å; T23-A27 WeakPolarHBondContact O-CB 3.34Å; T23-A27 PolarHBondContact O-N 3.33Å; T23-I40 HydrophobicContact CG2-CD1 3.73Å; T23-F43 HydrophobicContact CG2-CB 3.97Å; T23-C44 HydrophobicContact CG2-CB 3.71Å; T23-S89 WeakPolarHBondContact OG1-CB 3.35Å
24	S	97.3	Very high	95.1	Very high	16 Å²	16	35 Å²	35	11%	0.112	20%	0.195	C	C	.	.	H	α-helix	trans	-67.6	-34.3	178.3	65.4	0	0	0	0	113.2	D20 D21 Y28 C44 S48	D20-S24 WeakPolarHBondContact O-CB 3.14Å; D20-S24 PolarHBondContact O-N 2.75Å; D20-S24 PolarHBondContact O-OG 2.85Å; D21-S24 PolarHBondContact O-OG 3.09Å; S24-Y28 PolarHBondContact O-N 3.34Å; S24-Y28 VanDerWaalsContact O-N 3.07Å; S24-C44 VanDerWaalsContact CA-SG 3.5Å; S24-S48 PolarHBondContact O-N 3.33Å
25	S	97.6	Very high	95.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.6	-47.9	172.5	-54.6	0	0	0	0	111.9	D21 A22 T23 A27 Y28 A29 K50	D21-S25 VanDerWaalsContact O-CB 3.32Å; D21-S25 WeakPolarHBondContact O-CB 3.33Å; D21-S25 PolarHBondContact O-N 2.89Å; D21-S25 PolarHBondContact O-OG 3.12Å; A22-S25 PolarHBondContact O-N 3.39Å; T23-S25 PolarHBondContact O-N 2.77Å; S25-A27 VanDerWaalsContact C-N 3.34Å; S25-A27 PolarHBondContact O-N 3.42Å; S25-Y28 PolarHBondContact O-N 2.69Å; S25-A29 PolarHBondContact O-N 2.91Å; S25-K50 WeakPolarHBondContact OG-CE 3.48Å
26	K	97.9	Very high	95.9	Very high	20 Å²	20	41.8 Å²	41.8	9%	0.087	22%	0.221	C	C	.	.	H	α-helix	trans	-60.4	-43.9	176.1	-75.6	-178.8	-178.9	-176.5	0	110.7	A22 T23 Y28 A29 V30 W35 I40 Y58 E206	A22-K26 WeakPolarHBondContact O-CB 3.32Å; A22-K26 WeakPolarHBondContact O-CG 3.4Å; A22-K26 PolarHBondContact O-N 2.94Å; T23-K26 PolarHBondContact O-N 3.48Å; K26-Y28 VanDerWaalsContact C-N 3.29Å; K26-Y28 PolarHBondContact O-N 3.38Å; K26-A29 PolarHBondContact O-N 3.35Å; K26-V30 VanDerWaalsContact O-CG2 3.31Å; K26-V30 WeakPolarHBondContact O-CG2 3.33Å; K26-V30 PolarHBondContact O-N 3.23Å; K26-W35 HydrophobicContact CB-CH2 4.15Å; K26-W35 HydrophobicContact CB-CZ2 3.95Å; K26-W35 HydrophobicContact CG-CH2 4.18Å; K26-W35 HydrophobicContact CG-CZ2 4.13Å; K26-I40 HydrophobicContact CB-CD1 4.35Å; K26-Y58 HydrophobicContact CD-CD1 4.32Å; K26-Y58 HydrophobicContact CG-CD1 3.56Å; K26-Y58 HydrophobicContact CG-CE1 4.02Å; K26-Y58 HydrophobicContact CG-CG 4.15Å; K26-E206 IonicContact NZ-OE1 3.17Å; K26-E206 PolarHBondContact NZ-OE1 3.45Å; K26-E206 IonicContact NZ-OE2 3.14Å; K26-E206 PolarHBondContact NZ-OE2 3.25Å
27	A	98.1	Very high	96.1	Very high	6 Å²	6	41.9 Å²	41.9	5%	0.05	22%	0.222	C	C	.	.	H	α-helix	trans	-60	-39.4	176.4	0	0	0	0	0	112.2	T23 S25 S31 I40 C44 P47	T23-A27 VanDerWaalsContact O-CB 3.31Å; T23-A27 WeakPolarHBondContact O-CB 3.34Å; T23-A27 PolarHBondContact O-N 3.33Å; S25-A27 VanDerWaalsContact C-N 3.34Å; S25-A27 PolarHBondContact O-N 3.42Å; A27-S31 PolarHBondContact O-N 2.83Å; A27-I40 HydrophobicContact CB-CG1 3.92Å; A27-I40 HydrophobicContact CB-CG2 4.45Å; A27-C44 HydrophobicContact CB-CB 4.01Å; A27-P47 HydrophobicContact CB-CB 4.17Å; A27-P47 HydrophobicContact CB-CG 4.04Å
28	Y	98.2	Very high	96.3	Very high	33 Å²	33	41.3 Å²	41.3	13%	0.129	22%	0.216	C	C	.	.	H	α-helix	trans	-65.9	-51.5	175.8	-176.2	-104.9	0	0	0	111	S24 S25 K26 V30 S31 R32 P47 S48 H49 K50 N55	S24-Y28 PolarHBondContact O-N 3.34Å; S24-Y28 VanDerWaalsContact O-N 3.07Å; S25-Y28 PolarHBondContact O-N 2.69Å; K26-Y28 VanDerWaalsContact C-N 3.29Å; K26-Y28 PolarHBondContact O-N 3.38Å; Y28-V30 VanDerWaalsContact C-N 3.27Å; Y28-V30 PolarHBondContact O-N 2.96Å; Y28-S31 WeakPolarHBondContact O-CA 3.29Å; Y28-S31 WeakPolarHBondContact O-CB 3.3Å; Y28-S31 PolarHBondContact O-N 3.21Å; Y28-S31 PolarHBondContact O-OG 3.27Å; Y28-R32 HydrophobicContact CD1-CG 4.15Å; Y28-R32 HydrophobicContact CE1-CG 3.76Å; Y28-R32 HydrophobicContact CE2-CG 4.32Å; Y28-R32 WeakPolarHBondContact O-CG 3.46Å; Y28-R32 PolarHBondContact O-N 3.29Å; Y28-P47 HydrophobicContact CD2-CB 4.37Å; Y28-S48 WeakPolarHBondContact CB-O 3.41Å; Y28-S48 VanDerWaalsContact CG-O 3.28Å; Y28-H49 HydrophobicContact CE2-CB 4.2Å; Y28-H49 AromaticContact CZ-CD2 3.59Å; Y28-H49 PolarHBondContact OH-CD2 3.46Å; Y28-K50 HydrophobicContact CD1-CB 4.34Å; Y28-K50 WeakPolarHBondContact CE1-O 3.35Å; Y28-N55 WeakPolarHBondContact CD1-OD1 3.44Å; Y28-N55 WeakPolarHBondContact CE1-ND2 3.42Å
29	A	98	Very high	96.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.5	-38.2	177.4	0	0	0	0	0	112.7	S25 K26 R32 G33 Y34 W35 N55	S25-A29 PolarHBondContact O-N 2.91Å; K26-A29 PolarHBondContact O-N 3.35Å; A29-R32 PolarHBondContact O-N 3.22Å; A29-G33 PolarHBondContact O-N 3.45Å; A29-Y34 HydrophobicContact CB-CD2 4.04Å; A29-Y34 HydrophobicContact CB-CG 4.4Å; A29-Y34 WeakPolarHBondContact O-CD2 3.32Å; A29-Y34 PolarHBondContact O-N 3.4Å; A29-Y34 VanDerWaalsContact O-N 3.14Å; A29-W35 HydrophobicContact CB-CE3 4.46Å; A29-W35 HydrophobicContact CB-CH2 3.65Å; A29-W35 HydrophobicContact CB-CZ3 3.45Å; A29-W35 VanDerWaalsContact CB-CZ3 3.45Å; A29-N55 HydrophobicContact CB-CB 4.03Å
30	V	97.5	Very high	96.7	Very high	26 Å²	26	39.5 Å²	39.5	16%	0.158	20%	0.204	C	C	.	.	H	α-helix	trans	-61.8	-44.1	172.1	170.1	0	0	0	0	111.5	K26 Y28 R32 G33 W35 D37 I40	K26-V30 VanDerWaalsContact O-CG2 3.31Å; K26-V30 WeakPolarHBondContact O-CG2 3.33Å; K26-V30 PolarHBondContact O-N 3.23Å; Y28-V30 VanDerWaalsContact C-N 3.27Å; Y28-V30 PolarHBondContact O-N 2.96Å; V30-R32 PolarHBondContact O-N 3.15Å; V30-G33 PolarHBondContact O-N 3.03Å; V30-W35 HydrophobicContact CG2-CD2 3.84Å; V30-W35 HydrophobicContact CG2-CG 4.25Å; V30-W35 HydrophobicContact CG2-CH2 4.23Å; V30-W35 HydrophobicContact CG2-CZ2 3.51Å; V30-W35 VanDerWaalsContact CG2-NE1 3.34Å; V30-D37 HydrophobicContact CG1-CB 4.2Å; V30-D37 HydrophobicContact CG2-CB 3.87Å; V30-I40 HydrophobicContact CB-CG2 4.15Å; V30-I40 HydrophobicContact CG1-CG2 4.05Å; V30-I40 HydrophobicContact CG2-CG2 4.14Å
31	S	96.4	Very high	96.7	Very high	79 Å²	79	42.3 Å²	42.3	55%	0.552	21%	0.213	S	C	*	.	H	α-helix	trans	-62.8	-26.5	177.2	81.2	0	0	0	0	113.1	A27 Y28 G33	A27-S31 PolarHBondContact O-N 2.83Å; Y28-S31 WeakPolarHBondContact O-CA 3.29Å; Y28-S31 WeakPolarHBondContact O-CB 3.3Å; Y28-S31 PolarHBondContact O-N 3.21Å; Y28-S31 PolarHBondContact O-OG 3.27Å; S31-G33 VanDerWaalsContact C-N 3.33Å
32	R	96.7	Very high	96.9	Very high	107 Å²	107	42.5 Å²	42.5	40%	0.404	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-5.2	174.8	-56.3	-57.7	-73	152.8	4.6	113.3	Y28 A29 V30 Y34 E308	Y28-R32 HydrophobicContact CD1-CG 4.15Å; Y28-R32 HydrophobicContact CE1-CG 3.76Å; Y28-R32 HydrophobicContact CE2-CG 4.32Å; Y28-R32 WeakPolarHBondContact O-CG 3.46Å; Y28-R32 PolarHBondContact O-N 3.29Å; A29-R32 PolarHBondContact O-N 3.22Å; V30-R32 PolarHBondContact O-N 3.15Å; R32-Y34 HydrophobicContact CB-CD2 3.91Å; R32-Y34 HydrophobicContact CB-CE2 3.94Å; R32-E308 IonicContact CZ-OE1 3.32Å; R32-E308 IonicContact NE-OE1 2.7Å; R32-E308 PolarHBondContact NE-OE1 3.23Å; R32-E308 IonicContact NH2-OE1 2.75Å; R32-E308 PolarHBondContact NH2-OE1 3.16Å
33	G	96.5	Very high	96.9	Very high	35 Å²	35	42.5 Å²	42.5	36%	0.361	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.8	15.2	174.8	0	0	0	0	0	115.3	A29 V30 S31 R303 L307	A29-G33 PolarHBondContact O-N 3.45Å; V30-G33 PolarHBondContact O-N 3.03Å; S31-G33 VanDerWaalsContact C-N 3.33Å; G33-R303 PolarHBondContact O-NH1 3.26Å; G33-L307 VanDerWaalsContact C-CD1 3.49Å; G33-L307 WeakPolarHBondContact O-CD1 3.22Å
34	Y	97.5	Very high	96.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-61.9	-45.5	179	-80.8	-90.3	0	0	0	112	A29 R32 N55 R56 F59 R303 V304 L307 E308	A29-Y34 HydrophobicContact CB-CD2 4.04Å; A29-Y34 HydrophobicContact CB-CG 4.4Å; A29-Y34 WeakPolarHBondContact O-CD2 3.32Å; A29-Y34 PolarHBondContact O-N 3.4Å; A29-Y34 VanDerWaalsContact O-N 3.14Å; R32-Y34 HydrophobicContact CB-CD2 3.91Å; R32-Y34 HydrophobicContact CB-CE2 3.94Å; Y34-N55 HydrophobicContact CD2-CB 3.93Å; Y34-N55 HydrophobicContact CE1-CB 4.19Å; Y34-N55 HydrophobicContact CE2-CB 3.34Å; Y34-N55 VanDerWaalsContact CZ-CB 3.47Å; Y34-R56 HydrophobicContact CE1-CB 4.35Å; Y34-R56 HydrophobicContact CE1-CG 3.54Å; Y34-F59 HydrophobicContact CD1-CB 3.76Å; Y34-F59 HydrophobicContact CD1-CG 4.11Å; Y34-F59 HydrophobicContact CG-CB 4.23Å; Y34-F59 WeakPolarHBondContact O-CD2 3.45Å; Y34-F59 WeakPolarHBondContact O-CE2 3.27Å; Y34-R303 PolarHBondContact O-NH1 2.98Å; Y34-R303 PolarHBondContact O-NH2 2.97Å; Y34-R303 VanDerWaalsContact O-NH2 3.15Å; Y34-V304 HydrophobicContact CD1-CB 4Å; Y34-V304 HydrophobicContact CD1-CG1 4.09Å; Y34-V304 HydrophobicContact CE1-CB 4.15Å; Y34-L307 HydrophobicContact CD1-CD1 3.9Å; Y34-L307 HydrophobicContact CD2-CD1 3.87Å; Y34-L307 HydrophobicContact CE1-CD1 4.17Å; Y34-L307 HydrophobicContact CE2-CD1 4.16Å; Y34-L307 HydrophobicContact CG-CD1 3.74Å; Y34-E308 WeakPolarHBondContact CE2-OE2 3.34Å; Y34-E308 PolarHBondContact OH-OE2 3.05Å
35	W	96.5	Very high	96	Very high	30 Å²	30	47.7 Å²	47.7	11%	0.114	24%	0.243	C	C	.	.	S	Bend	trans	-145.6	169.9	169	69.4	99.2	0	0	0	110.4	K26 A29 V30 F59 T62	K26-W35 HydrophobicContact CB-CH2 4.15Å; K26-W35 HydrophobicContact CB-CZ2 3.95Å; K26-W35 HydrophobicContact CG-CH2 4.18Å; K26-W35 HydrophobicContact CG-CZ2 4.13Å; A29-W35 HydrophobicContact CB-CE3 4.46Å; A29-W35 HydrophobicContact CB-CH2 3.65Å; A29-W35 HydrophobicContact CB-CZ3 3.45Å; A29-W35 VanDerWaalsContact CB-CZ3 3.45Å; V30-W35 HydrophobicContact CG2-CD2 3.84Å; V30-W35 HydrophobicContact CG2-CG 4.25Å; V30-W35 HydrophobicContact CG2-CH2 4.23Å; V30-W35 HydrophobicContact CG2-CZ2 3.51Å; V30-W35 VanDerWaalsContact CG2-NE1 3.34Å; W35-F59 HydrophobicContact CB-CD2 4.35Å; W35-F59 HydrophobicContact CE3-CB 4.04Å; W35-F59 HydrophobicContact CE3-CD2 4.04Å; W35-F59 HydrophobicContact CZ3-CB 4.04Å; W35-T62 HydrophobicContact CD2-CG2 4.47Å; W35-T62 HydrophobicContact CZ2-CG2 4.29Å
36	K	95.7	Very high	95.6	Very high	190 Å²	190	52 Å²	52	83%	0.826	27%	0.272	S	S	*	.			trans	-95.4	125.7	177.2	-64.3	176.5	-176.1	168.8	0	110.2
37	D	96.3	Very high	95.4	Very high	27 Å²	27	54 Å²	54	14%	0.144	29%	0.288	C	S	.	.			trans	-145.8	108.5	171.7	-174	-25.2	0	0	0	109.2	V30 Y39 I40 T91	V30-D37 HydrophobicContact CG1-CB 4.2Å; V30-D37 HydrophobicContact CG2-CB 3.87Å; D37-Y39 PolarHBondContact O-N 2.91Å; D37-Y39 WeakPolarHBondContact OD1-CA 3.31Å; D37-Y39 WeakPolarHBondContact OD1-CB 3.34Å; D37-Y39 PolarHBondContact OD1-N 3.33Å; D37-I40 HydrophobicContact CB-CB 4.33Å; D37-I40 HydrophobicContact CB-CG2 4.08Å; D37-I40 PolarHBondContact OD1-N 3.02Å; D37-T91 VanDerWaalsContact OD2-CB 3.3Å; D37-T91 WeakPolarHBondContact OD2-CB 3.36Å; D37-T91 PolarHBondContact OD2-OG1 3.25Å
38	K	95	Very high	95.1	Very high	90 Å²	90	55.9 Å²	55.9	39%	0.391	30%	0.301	S	S	.	.	S	Bend	trans	-80.1	-7.5	-179.2	70.4	-173.6	-171.6	-157	0	113.2	K41 Y42 D98	K38-K41 WeakPolarHBondContact O-CE 3.4Å; K38-Y42 WeakPolarHBondContact O-CE2 3.06Å; K38-D98 WeakPolarHBondContact CE-OD2 3.15Å; K38-D98 IonicContact NZ-OD1 2.82Å; K38-D98 PolarHBondContact NZ-OD1 3.04Å; K38-D98 IonicContact NZ-OD2 3.34Å; K38-D98 PolarHBondContact NZ-OD2 3.44Å
39	Y	97	Very high	94.9	Very high	12 Å²	12	60.5 Å²	60.5	5%	0.047	32%	0.323	C	S	.	.	S	Bend	trans	-104.3	-33.7	-171	-60	-84	0	0	0	113.1	D37 K41 Y42 F43 F94 D98 L127	D37-Y39 PolarHBondContact O-N 2.91Å; D37-Y39 WeakPolarHBondContact OD1-CA 3.31Å; D37-Y39 WeakPolarHBondContact OD1-CB 3.34Å; D37-Y39 PolarHBondContact OD1-N 3.33Å; Y39-K41 PolarHBondContact O-N 3.5Å; Y39-Y42 WeakPolarHBondContact O-CB 3.34Å; Y39-Y42 WeakPolarHBondContact O-CD2 3.4Å; Y39-Y42 PolarHBondContact O-N 3.26Å; Y39-F43 WeakPolarHBondContact O-CD2 3.5Å; Y39-F94 HydrophobicContact CD1-CB 3.98Å; Y39-F94 AromaticContact CD1-CD1 3.9Å; Y39-F94 HydrophobicContact CD1-CD1 3.9Å; Y39-F94 HydrophobicContact CD1-CD2 4.29Å; Y39-F94 HydrophobicContact CD1-CE1 4.48Å; Y39-F94 AromaticContact CD1-CG 3.81Å; Y39-F94 HydrophobicContact CD1-CG 3.81Å; Y39-F94 HydrophobicContact CD2-CB 3.33Å; Y39-F94 HydrophobicContact CD2-CD2 4.44Å; Y39-F94 AromaticContact CD2-CG 3.99Å; Y39-F94 HydrophobicContact CD2-CG 3.99Å; Y39-F94 HydrophobicContact CE1-CB 3.92Å; Y39-F94 AromaticContact CE1-CD1 3.8Å; Y39-F94 HydrophobicContact CE1-CD1 3.8Å; Y39-F94 AromaticContact CE1-CG 3.98Å; Y39-F94 HydrophobicContact CE1-CG 3.98Å; Y39-F94 HydrophobicContact CE2-CB 3.26Å; Y39-F94 HydrophobicContact CE2-CG 4.16Å; Y39-F94 HydrophobicContact CG-CB 3.69Å; Y39-F94 HydrophobicContact CG-CD1 4.37Å; Y39-F94 HydrophobicContact CG-CD2 4.04Å; Y39-F94 AromaticContact CG-CG 3.8Å; Y39-F94 HydrophobicContact CG-CG 3.8Å; Y39-D98 WeakPolarHBondContact CE2-OD2 3.45Å; Y39-D98 PolarHBondContact OH-OD1 3Å; Y39-D98 VanDerWaalsContact OH-OD1 3.11Å; Y39-L127 HydrophobicContact CD1-CB 4.39Å; Y39-L127 HydrophobicContact CD1-CD1 4.36Å; Y39-L127 HydrophobicContact CD1-CD2 4.23Å; Y39-L127 HydrophobicContact CE1-CB 4.4Å
40	I	97	Very high	94.8	Very high	7 Å²	7	62.4 Å²	62.4	4%	0.036	33%	0.332	C	S	.	.	H	α-helix	trans	-53.3	-34.4	-173.7	-164.7	66.3	0	0	0	113.5	T23 K26 A27 V30 D37 Y42 F43 C44 T91	T23-I40 HydrophobicContact CG2-CD1 3.73Å; K26-I40 HydrophobicContact CB-CD1 4.35Å; A27-I40 HydrophobicContact CB-CG1 3.92Å; A27-I40 HydrophobicContact CB-CG2 4.45Å; V30-I40 HydrophobicContact CB-CG2 4.15Å; V30-I40 HydrophobicContact CG1-CG2 4.05Å; V30-I40 HydrophobicContact CG2-CG2 4.14Å; D37-I40 HydrophobicContact CB-CB 4.33Å; D37-I40 HydrophobicContact CB-CG2 4.08Å; D37-I40 PolarHBondContact OD1-N 3.02Å; I40-Y42 PolarHBondContact O-N 3.31Å; I40-Y42 VanDerWaalsContact O-N 3.13Å; I40-F43 PolarHBondContact O-N 2.91Å; I40-C44 PolarHBondContact O-N 2.96Å; I40-T91 HydrophobicContact CB-CG2 4.42Å; I40-T91 HydrophobicContact CD1-CG2 4.09Å
41	K	95.4	Very high	94.7	Very high	127 Å²	127	63.8 Å²	63.8	55%	0.552	34%	0.34	S	S	*	.	H	α-helix	trans	-61.4	-19.4	177.2	69.1	-178.7	-177.5	-177.9	0	114.5	K38 Y39 C44	K38-K41 WeakPolarHBondContact O-CE 3.4Å; Y39-K41 PolarHBondContact O-N 3.5Å; K41-C44 CarbonylContact C-O 3.56Å
42	Y	96.8	Very high	94.7	Very high	62 Å²	62	61.2 Å²	61.2	24%	0.243	32%	0.322	C	S	.	.	H	α-helix	trans	-85.6	-21.3	176.1	-59.3	-64	0	0	0	112.2	K38 Y39 I40 T121 R125 L127	K38-Y42 WeakPolarHBondContact O-CE2 3.06Å; Y39-Y42 WeakPolarHBondContact O-CB 3.34Å; Y39-Y42 WeakPolarHBondContact O-CD2 3.4Å; Y39-Y42 PolarHBondContact O-N 3.26Å; I40-Y42 PolarHBondContact O-N 3.31Å; I40-Y42 VanDerWaalsContact O-N 3.13Å; Y42-T121 VanDerWaalsContact O-CG2 3.25Å; Y42-T121 WeakPolarHBondContact O-CG2 3.36Å; Y42-R125 HydrophobicContact CD1-CB 4.24Å; Y42-R125 HydrophobicContact CD1-CG 3.77Å; Y42-R125 HydrophobicContact CE1-CG 4.42Å; Y42-R125 HydrophobicContact CG-CB 4.43Å; Y42-R125 HydrophobicContact CG-CG 4.17Å; Y42-L127 HydrophobicContact CD2-CD1 4.37Å; Y42-L127 HydrophobicContact CD2-CD2 3.51Å; Y42-L127 HydrophobicContact CE2-CD2 3.73Å; Y42-L127 HydrophobicContact CG-CD2 4.06Å
43	F	96.1	Very high	94.7	Very high	18 Å²	18	58.3 Å²	58.3	8%	0.079	31%	0.313	C	S	.	.	H	α-helix	trans	-98.1	-16.3	177.8	-59.3	-76.4	0	0	0	112.9	T23 Y39 I40 T91 F94 K118 T121 I122 L127	T23-F43 HydrophobicContact CG2-CB 3.97Å; Y39-F43 WeakPolarHBondContact O-CD2 3.5Å; I40-F43 PolarHBondContact O-N 2.91Å; F43-T91 HydrophobicContact CD2-CG2 3.93Å; F43-T91 HydrophobicContact CE2-CG2 4.06Å; F43-F94 AromaticContact CE2-CE2 3.77Å; F43-F94 HydrophobicContact CE2-CE2 3.77Å; F43-F94 HydrophobicContact CE2-CZ 4.27Å; F43-F94 AromaticContact CZ-CE2 3.79Å; F43-F94 HydrophobicContact CZ-CE2 3.79Å; F43-F94 AromaticContact CZ-CZ 3.93Å; F43-F94 HydrophobicContact CZ-CZ 3.93Å; F43-K118 HydrophobicContact CE1-CG 3.89Å; F43-T121 HydrophobicContact CD1-CG2 3.72Å; F43-T121 HydrophobicContact CE1-CG2 3.52Å; F43-T121 HydrophobicContact CG-CG2 4.37Å; F43-T121 HydrophobicContact CZ-CG2 4.06Å; F43-I122 HydrophobicContact CE1-CG1 4.48Å; F43-I122 HydrophobicContact CZ-CG1 4.17Å; F43-L127 HydrophobicContact CE2-CD1 3.89Å; F43-L127 HydrophobicContact CZ-CD1 3.67Å
44	C	93.2	Very high	94.6	Very high	16 Å²	16	59.2 Å²	59.2	11%	0.108	31%	0.309	C	S	.	.			trans	-139.2	116.4	171	178.6	0	0	0	0	110.6	T23 S24 A27 I40 K41 S46	T23-C44 HydrophobicContact CG2-CB 3.71Å; S24-C44 VanDerWaalsContact CA-SG 3.5Å; A27-C44 HydrophobicContact CB-CB 4.01Å; I40-C44 PolarHBondContact O-N 2.96Å; K41-C44 CarbonylContact C-O 3.56Å; C44-S46 PolarHBondContact SG-O 3.46Å; C44-S46 VanDerWaalsContact SG-O 3.34Å
45	S	82.9	Confident	94.6	Very high	116 Å²	116	59.2 Å²	59.2	81%	0.811	31%	0.309	S	S	*	.	S	Bend	trans	-80.5	-27.9	175.9	50	0	0	0	0	113.2	P47	S45-P47 WeakPolarHBondContact O-CD 3.42Å
46	S	89.8	Confident	94.7	Very high	90 Å²	90	58.6 Å²	58.6	63%	0.629	31%	0.306	S	S	*	.	S	Bend	trans	-125	87.7	-174.2	-61.8	0	0	0	0	110.8	C44 S48	C44-S46 PolarHBondContact SG-O 3.46Å; C44-S46 VanDerWaalsContact SG-O 3.34Å; S46-S48 PolarHBondContact O-N 3.1Å
47	P	92	Very high	94.8	Very high	63 Å²	63	50 Å²	50	41%	0.409	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-55.4	133.4	173.1	-24.6	34.3	0	0	0	111.4	A27 Y28 S45	A27-P47 HydrophobicContact CB-CB 4.17Å; A27-P47 HydrophobicContact CB-CG 4.04Å; Y28-P47 HydrophobicContact CD2-CB 4.37Å; S45-P47 WeakPolarHBondContact O-CD 3.42Å
48	S	92	Very high	94.8	Very high	46 Å²	46	50.1 Å²	50.1	32%	0.322	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-93.4	125	177.1	-177.1	0	0	0	0	109	S24 Y28 S46 K50	S24-S48 PolarHBondContact O-N 3.33Å; Y28-S48 WeakPolarHBondContact CB-O 3.41Å; Y28-S48 VanDerWaalsContact CG-O 3.28Å; S46-S48 PolarHBondContact O-N 3.1Å; S48-K50 PolarHBondContact O-N 2.93Å
49	H	95.5	Very high	94.9	Very high	129 Å²	129	45.9 Å²	45.9	60%	0.597	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-55.3	127.5	173.9	172.3	-74	0	0	0	110.4	Y28	Y28-H49 HydrophobicContact CE2-CB 4.2Å; Y28-H49 AromaticContact CZ-CD2 3.59Å; Y28-H49 PolarHBondContact OH-CD2 3.46Å
50	K	94.9	Very high	95	Very high	41 Å²	41	45.3 Å²	45.3	18%	0.178	25%	0.249	C	C	.	.			trans	-125.3	154.9	171.4	-60	-57.4	-169.2	-169	0	110.3	D21 S25 Y28 S48 I54 N55	D21-K50 IonicContact OD1-NZ 2.64Å; D21-K50 PolarHBondContact OD1-NZ 3.3Å; S25-K50 WeakPolarHBondContact OG-CE 3.48Å; Y28-K50 HydrophobicContact CD1-CB 4.34Å; Y28-K50 WeakPolarHBondContact CE1-O 3.35Å; S48-K50 PolarHBondContact O-N 2.93Å; K50-I54 HydrophobicContact CB-CB 4.01Å; K50-I54 HydrophobicContact CB-CG2 3.77Å; K50-I54 HydrophobicContact CD-CG2 4.35Å; K50-I54 HydrophobicContact CG-CG2 3.93Å; K50-N55 WeakPolarHBondContact CB-OD1 2.94Å; K50-N55 PolarHBondContact O-ND2 3.34Å; K50-N55 VanDerWaalsContact O-ND2 3.1Å
51	T	95.5	Very high	95	Very high	54 Å²	54	45.7 Å²	45.7	33%	0.331	25%	0.25	S	S	.	.			trans	-67.5	157.4	177.5	53.5	0	0	0	0	111.6	E53 I54 N55	T51-E53 VanDerWaalsContact C-N 3.27Å; T51-E53 WeakPolarHBondContact CB-OE1 3.44Å; T51-E53 VanDerWaalsContact CB-OE2 3.27Å; T51-E53 WeakPolarHBondContact CB-OE2 3.38Å; T51-E53 PolarHBondContact O-N 2.88Å; T51-E53 PolarHBondContact OG1-OE1 2.9Å; T51-E53 PolarHBondContact OG1-OE2 3.32Å; T51-I54 PolarHBondContact O-N 3.08Å; T51-I54 VanDerWaalsContact O-N 3.08Å; T51-I54 WeakPolarHBondContact OG1-CG1 3.24Å; T51-N55 PolarHBondContact O-N 3.15Å; T51-N55 PolarHBondContact O-ND2 3.06Å
52	P	96.6	Very high	95.1	Very high	26 Å²	26	40.9 Å²	40.9	17%	0.169	23%	0.231	C	C	.	.	H	α-helix	trans	-56.1	-37.3	-176.5	-27	36.3	0	0	0	113.9	I54 N55 R56 E308 L309 L310	P52-I54 PolarHBondContact O-N 3.48Å; P52-N55 PolarHBondContact O-N 2.91Å; P52-R56 WeakPolarHBondContact O-CB 3.45Å; P52-R56 VanDerWaalsContact O-CG 3.22Å; P52-R56 WeakPolarHBondContact O-CG 3.37Å; P52-R56 PolarHBondContact O-N 3.38Å; P52-E308 HydrophobicContact CB-CB 3.99Å; P52-E308 HydrophobicContact CG-CB 3.91Å; P52-L309 WeakPolarHBondContact CG-O 3.45Å; P52-L310 HydrophobicContact CB-CB 4.48Å; P52-L310 HydrophobicContact CB-CD1 4.02Å
53	E	96.1	Very high	95	Very high	46 Å²	46	38.3 Å²	38.3	22%	0.215	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-39.1	177.2	64.8	-79.2	-178.9	0	0	112.6	T51 G57 L310 T316 L319 F320	T51-E53 VanDerWaalsContact C-N 3.27Å; T51-E53 WeakPolarHBondContact CB-OE1 3.44Å; T51-E53 VanDerWaalsContact CB-OE2 3.27Å; T51-E53 WeakPolarHBondContact CB-OE2 3.38Å; T51-E53 PolarHBondContact O-N 2.88Å; T51-E53 PolarHBondContact OG1-OE1 2.9Å; T51-E53 PolarHBondContact OG1-OE2 3.32Å; E53-G57 PolarHBondContact O-N 2.83Å; E53-L310 HydrophobicContact CB-CD1 4.03Å; E53-T316 HydrophobicContact CB-CG2 3.79Å; E53-T316 WeakPolarHBondContact CB-OG1 3.25Å; E53-L319 HydrophobicContact CB-CD2 4.41Å; E53-L319 HydrophobicContact CG-CD2 4.11Å; E53-F320 WeakPolarHBondContact O-CE1 3.45Å
54	I	96	Very high	95	Very high	54 Å²	54	37.5 Å²	37.5	28%	0.277	22%	0.219	S	C	.	.	H	α-helix	trans	-69.8	-43.6	175.9	-61.6	-64.8	0	0	0	110.3	K50 T51 P52 R56 G57 Y58 L319	K50-I54 HydrophobicContact CB-CB 4.01Å; K50-I54 HydrophobicContact CB-CG2 3.77Å; K50-I54 HydrophobicContact CD-CG2 4.35Å; K50-I54 HydrophobicContact CG-CG2 3.93Å; T51-I54 PolarHBondContact O-N 3.08Å; T51-I54 VanDerWaalsContact O-N 3.08Å; T51-I54 WeakPolarHBondContact OG1-CG1 3.24Å; P52-I54 PolarHBondContact O-N 3.48Å; I54-R56 PolarHBondContact O-N 3.47Å; I54-G57 PolarHBondContact O-N 3.18Å; I54-Y58 HydrophobicContact CG2-CD2 3.78Å; I54-Y58 HydrophobicContact CG2-CE2 3.66Å; I54-Y58 VanDerWaalsContact O-CD2 3.32Å; I54-Y58 WeakPolarHBondContact O-CD2 3.45Å; I54-Y58 PolarHBondContact O-N 2.71Å; I54-L319 HydrophobicContact CD1-CD2 3.93Å
55	N	97.5	Very high	95.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.8	-43.7	177.7	-65.4	-31.4	0	0	0	111.8	Y28 A29 Y34 K50 T51 P52 Y58 F59 E308	Y28-N55 WeakPolarHBondContact CD1-OD1 3.44Å; Y28-N55 WeakPolarHBondContact CE1-ND2 3.42Å; A29-N55 HydrophobicContact CB-CB 4.03Å; Y34-N55 HydrophobicContact CD2-CB 3.93Å; Y34-N55 HydrophobicContact CE1-CB 4.19Å; Y34-N55 HydrophobicContact CE2-CB 3.34Å; Y34-N55 VanDerWaalsContact CZ-CB 3.47Å; K50-N55 WeakPolarHBondContact CB-OD1 2.94Å; K50-N55 PolarHBondContact O-ND2 3.34Å; K50-N55 VanDerWaalsContact O-ND2 3.1Å; T51-N55 PolarHBondContact O-N 3.15Å; T51-N55 PolarHBondContact O-ND2 3.06Å; P52-N55 PolarHBondContact O-N 2.91Å; N55-Y58 PolarHBondContact O-N 3.14Å; N55-F59 WeakPolarHBondContact O-CB 3.33Å; N55-F59 PolarHBondContact O-N 3.03Å; N55-E308 PolarHBondContact ND2-OE2 3.3Å
56	R	97	Very high	95.9	Very high	16 Å²	16	35.6 Å²	35.6	6%	0.06	19%	0.192	C	C	.	.	H	α-helix	trans	-61.5	-42.2	174.2	-72.9	171	-172.3	-155.7	5.2	111.5	Y34 P52 I54 F59 I60 E305 E308 F320	Y34-R56 HydrophobicContact CE1-CB 4.35Å; Y34-R56 HydrophobicContact CE1-CG 3.54Å; P52-R56 WeakPolarHBondContact O-CB 3.45Å; P52-R56 VanDerWaalsContact O-CG 3.22Å; P52-R56 WeakPolarHBondContact O-CG 3.37Å; P52-R56 PolarHBondContact O-N 3.38Å; I54-R56 PolarHBondContact O-N 3.47Å; R56-F59 WeakPolarHBondContact O-CB 3.28Å; R56-F59 PolarHBondContact O-N 3.22Å; R56-I60 WeakPolarHBondContact O-CD1 3.46Å; R56-I60 VanDerWaalsContact O-CG1 3.23Å; R56-I60 WeakPolarHBondContact O-CG1 3.48Å; R56-I60 PolarHBondContact O-N 3.45Å; R56-E305 PolarHBondContact NH2-O 2.9Å; R56-E308 PolarHBondContact NH2-O 3.04Å; R56-F320 HydrophobicContact CB-CE2 4.47Å; R56-F320 HydrophobicContact CB-CZ 3.78Å
57	G	97.4	Very high	96.1	Very high	9 Å²	9	31.6 Å²	31.6	9%	0.093	16%	0.164	C	C	.	.	H	α-helix	trans	-58.7	-48.4	175	0	0	0	0	0	112.7	E53 I54 F59 I60 R61	E53-G57 PolarHBondContact O-N 2.83Å; I54-G57 PolarHBondContact O-N 3.18Å; G57-F59 VanDerWaalsContact C-N 3.33Å; G57-F59 PolarHBondContact O-N 2.7Å; G57-I60 PolarHBondContact O-N 2.71Å; G57-R61 WeakPolarHBondContact O-CB 3.23Å; G57-R61 PolarHBondContact O-N 3.11Å
58	Y	97.9	Very high	96.3	Very high	31 Å²	31	28.8 Å²	28.8	12%	0.122	15%	0.146	C	C	.	.	H	α-helix	trans	-63.7	-36.6	175.4	-83.2	-68	0	0	0	113.2	A22 K26 I54 N55 T62	A22-Y58 WeakPolarHBondContact CA-OH 3.35Å; A22-Y58 HydrophobicContact CB-CE1 4.35Å; K26-Y58 HydrophobicContact CD-CD1 4.32Å; K26-Y58 HydrophobicContact CG-CD1 3.56Å; K26-Y58 HydrophobicContact CG-CE1 4.02Å; K26-Y58 HydrophobicContact CG-CG 4.15Å; I54-Y58 HydrophobicContact CG2-CD2 3.78Å; I54-Y58 HydrophobicContact CG2-CE2 3.66Å; I54-Y58 VanDerWaalsContact O-CD2 3.32Å; I54-Y58 WeakPolarHBondContact O-CD2 3.45Å; I54-Y58 PolarHBondContact O-N 2.71Å; N55-Y58 PolarHBondContact O-N 3.14Å; Y58-T62 VanDerWaalsContact O-CB 3.32Å; Y58-T62 WeakPolarHBondContact O-CB 3.49Å; Y58-T62 PolarHBondContact O-N 3.42Å; Y58-T62 PolarHBondContact O-OG1 3.49Å
59	F	97.6	Very high	96.5	Very high	1 Å²	1	26.6 Å²	26.6	0%	0.004	13%	0.13	C	C	.	.	H	α-helix	trans	-59.7	-50.8	173.5	165.9	-106.3	0	0	0	111.4	Y34 W35 N55 R56 G57 T63 L296 T300 V304	Y34-F59 HydrophobicContact CD1-CB 3.76Å; Y34-F59 HydrophobicContact CD1-CG 4.11Å; Y34-F59 HydrophobicContact CG-CB 4.23Å; Y34-F59 WeakPolarHBondContact O-CD2 3.45Å; Y34-F59 WeakPolarHBondContact O-CE2 3.27Å; W35-F59 HydrophobicContact CB-CD2 4.35Å; W35-F59 HydrophobicContact CE3-CB 4.04Å; W35-F59 HydrophobicContact CE3-CD2 4.04Å; W35-F59 HydrophobicContact CZ3-CB 4.04Å; N55-F59 WeakPolarHBondContact O-CB 3.33Å; N55-F59 PolarHBondContact O-N 3.03Å; R56-F59 WeakPolarHBondContact O-CB 3.28Å; R56-F59 PolarHBondContact O-N 3.22Å; G57-F59 VanDerWaalsContact C-N 3.33Å; G57-F59 PolarHBondContact O-N 2.7Å; F59-T63 WeakPolarHBondContact CD2-OG1 3.49Å; F59-T63 WeakPolarHBondContact CE2-OG1 3.31Å; F59-T63 WeakPolarHBondContact O-CB 3.45Å; F59-T63 PolarHBondContact O-N 3.07Å; F59-T63 PolarHBondContact O-OG1 3.37Å; F59-L296 HydrophobicContact CE1-CD1 3.77Å; F59-L296 HydrophobicContact CZ-CD1 4.33Å; F59-T300 HydrophobicContact CE1-CG2 4.25Å; F59-T300 HydrophobicContact CZ-CG2 3.57Å; F59-V304 HydrophobicContact CD1-CB 4.38Å; F59-V304 HydrophobicContact CD1-CG1 3.87Å; F59-V304 HydrophobicContact CD1-CG2 4.2Å; F59-V304 HydrophobicContact CD2-CG1 4.18Å; F59-V304 HydrophobicContact CE1-CB 4.37Å; F59-V304 HydrophobicContact CE1-CG1 3.65Å; F59-V304 HydrophobicContact CE1-CG2 4.01Å; F59-V304 HydrophobicContact CE2-CG1 3.97Å; F59-V304 HydrophobicContact CG-CG1 4.14Å; F59-V304 HydrophobicContact CZ-CG1 3.72Å
60	I	97.5	Very high	96.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.8	-46.7	-178.4	-62.4	158	0	0	0	110.4	R56 G57 T63 A64 I289 V292 Y293 L296 F320	R56-I60 WeakPolarHBondContact O-CD1 3.46Å; R56-I60 VanDerWaalsContact O-CG1 3.23Å; R56-I60 WeakPolarHBondContact O-CG1 3.48Å; R56-I60 PolarHBondContact O-N 3.45Å; G57-I60 PolarHBondContact O-N 2.71Å; I60-T63 PolarHBondContact O-N 3.19Å; I60-A64 VanDerWaalsContact O-CB 3.27Å; I60-A64 WeakPolarHBondContact O-CB 3.23Å; I60-A64 PolarHBondContact O-N 3.36Å; I60-I289 HydrophobicContact CB-CG2 4.05Å; I60-I289 HydrophobicContact CD1-CG2 3.62Å; I60-I289 HydrophobicContact CG1-CG2 4.44Å; I60-I289 HydrophobicContact CG2-CG2 3.8Å; I60-V292 HydrophobicContact CG2-CB 4.09Å; I60-V292 HydrophobicContact CG2-CG1 3.69Å; I60-Y293 HydrophobicContact CD1-CD2 3.49Å; I60-Y293 VanDerWaalsContact CD1-CD2 3.49Å; I60-Y293 HydrophobicContact CD1-CE2 4.24Å; I60-Y293 HydrophobicContact CD1-CG 3.85Å; I60-Y293 HydrophobicContact CG1-CD2 3.65Å; I60-Y293 HydrophobicContact CG1-CE2 4.35Å; I60-Y293 HydrophobicContact CG1-CG 4.4Å; I60-L296 HydrophobicContact CG1-CD1 4.38Å; I60-F320 HydrophobicContact CD1-CD2 4.1Å; I60-F320 HydrophobicContact CD1-CE2 3.49Å; I60-F320 VanDerWaalsContact CD1-CE2 3.49Å; I60-F320 HydrophobicContact CD1-CZ 3.86Å
61	R	97.1	Very high	96.5	Very high	15 Å²	15	19.7 Å²	19.7	6%	0.057	10%	0.1	C	C	.	.	H	α-helix	trans	-54.6	-57.6	176.9	175.4	178.3	171.3	163.5	5.5	111.7	G57 T63 A64 F65 E206 C207 Y236	G57-R61 WeakPolarHBondContact O-CB 3.23Å; G57-R61 PolarHBondContact O-N 3.11Å; R61-T63 VanDerWaalsContact C-N 3.35Å; R61-T63 PolarHBondContact O-N 2.79Å; R61-A64 PolarHBondContact O-N 2.62Å; R61-F65 PolarHBondContact O-N 3Å; R61-E206 HydrophobicContact CG-CG 4.24Å; R61-E206 IonicContact CZ-OE1 3.32Å; R61-E206 IonicContact NE-OE1 3Å; R61-E206 PolarHBondContact NE-OE1 3.19Å; R61-E206 IonicContact NE-OE2 3.32Å; R61-E206 VanDerWaalsContact NH2-CD 3.32Å; R61-E206 PolarHBondContact NH2-O 2.78Å; R61-E206 VanDerWaalsContact NH2-O 3.09Å; R61-E206 IonicContact NH2-OE1 3.65Å; R61-E206 PolarHBondContact NH2-OE1 3.33Å; R61-C207 PolarHBondContact NH1-SG 3.3Å; R61-Y236 HydrophobicContact CB-CD2 4.07Å; R61-Y236 HydrophobicContact CB-CE2 3.84Å; R61-Y236 HydrophobicContact CG-CD1 4.4Å; R61-Y236 HydrophobicContact CG-CD2 3.7Å; R61-Y236 HydrophobicContact CG-CE2 3.83Å; R61-Y236 HydrophobicContact CG-CG 4.01Å
62	T	97.2	Very high	96.5	Very high	25 Å²	25	17.1 Å²	17.1	15%	0.153	8%	0.084	C	C	.	.	H	α-helix	trans	-62	-42.6	-178.7	-55.7	0	0	0	0	111.6	W35 Y58 R66	W35-T62 HydrophobicContact CD2-CG2 4.47Å; W35-T62 HydrophobicContact CZ2-CG2 4.29Å; Y58-T62 VanDerWaalsContact O-CB 3.32Å; Y58-T62 WeakPolarHBondContact O-CB 3.49Å; Y58-T62 PolarHBondContact O-N 3.42Å; Y58-T62 PolarHBondContact O-OG1 3.49Å; T62-R66 WeakPolarHBondContact O-CB 3.32Å; T62-R66 PolarHBondContact O-N 3.03Å
63	T	96.2	Very high	96.5	Very high	8 Å²	8	16 Å²	16	5%	0.049	8%	0.077	C	C	.	.	H	α-helix	trans	-62.2	-49.4	179.5	-70.4	0	0	0	0	111.7	F59 I60 R61 R66 A67 L296 T347	F59-T63 WeakPolarHBondContact CD2-OG1 3.49Å; F59-T63 WeakPolarHBondContact CE2-OG1 3.31Å; F59-T63 WeakPolarHBondContact O-CB 3.45Å; F59-T63 PolarHBondContact O-N 3.07Å; F59-T63 PolarHBondContact O-OG1 3.37Å; I60-T63 PolarHBondContact O-N 3.19Å; R61-T63 VanDerWaalsContact C-N 3.35Å; R61-T63 PolarHBondContact O-N 2.79Å; T63-R66 PolarHBondContact O-N 2.97Å; T63-A67 WeakPolarHBondContact O-CB 3.47Å; T63-A67 PolarHBondContact O-N 3.04Å; T63-L296 HydrophobicContact CG2-CD1 4.4Å; T63-L296 HydrophobicContact CG2-CD2 3.83Å; T63-T347 HydrophobicContact CG2-CG2 3.32Å
64	A	96	Very high	96.4	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.008	9%	0.09	C	C	.	.	H	α-helix	trans	-66.2	-44.2	-178.8	0	0	0	0	0	111.7	I60 R61 R66 A67 I68 V292 I325 L344	I60-A64 VanDerWaalsContact O-CB 3.27Å; I60-A64 WeakPolarHBondContact O-CB 3.23Å; I60-A64 PolarHBondContact O-N 3.36Å; R61-A64 PolarHBondContact O-N 2.62Å; A64-R66 VanDerWaalsContact C-N 3.34Å; A64-R66 PolarHBondContact O-N 3.03Å; A64-A67 PolarHBondContact O-N 2.83Å; A64-I68 WeakPolarHBondContact O-CB 3.49Å; A64-I68 WeakPolarHBondContact O-CD1 3.24Å; A64-I68 WeakPolarHBondContact O-CG1 3.39Å; A64-I68 PolarHBondContact O-N 3.14Å; A64-V292 HydrophobicContact CB-CG1 3.86Å; A64-I325 HydrophobicContact CB-CD1 3.31Å; A64-L344 HydrophobicContact CB-CD2 4.06Å
65	F	97.2	Very high	96.3	Very high	3 Å²	3	18.6 Å²	18.6	1%	0.013	9%	0.09	C	C	.	.	H	α-helix	trans	-57.9	-47.1	176.5	-94.9	-123.2	0	0	0	111.9	R61 I68 A69 L204 E206 L234 I325	R61-F65 PolarHBondContact O-N 3Å; F65-I68 PolarHBondContact O-N 3.06Å; F65-A69 WeakPolarHBondContact O-CB 3.41Å; F65-A69 PolarHBondContact O-N 3.34Å; F65-L204 HydrophobicContact CE1-CB 4.35Å; F65-E206 HydrophobicContact CD1-CB 4.46Å; F65-E206 HydrophobicContact CD1-CG 4.1Å; F65-E206 HydrophobicContact CE1-CB 3.79Å; F65-E206 HydrophobicContact CE1-CG 3.71Å; F65-E206 HydrophobicContact CE2-CG 4.42Å; F65-E206 HydrophobicContact CZ-CB 4.19Å; F65-E206 HydrophobicContact CZ-CG 3.89Å; F65-L234 HydrophobicContact CD1-CD2 4.15Å; F65-L234 HydrophobicContact CD2-CD2 4.03Å; F65-L234 HydrophobicContact CD2-CG 4.32Å; F65-L234 HydrophobicContact CE1-CD2 4.32Å; F65-L234 HydrophobicContact CE1-CG 4.29Å; F65-L234 HydrophobicContact CE2-CD1 4.4Å; F65-L234 HydrophobicContact CE2-CD2 4.16Å; F65-L234 HydrophobicContact CE2-CG 3.95Å; F65-L234 HydrophobicContact CG-CD2 4Å; F65-L234 HydrophobicContact CZ-CD2 4.32Å; F65-L234 HydrophobicContact CZ-CG 3.95Å; F65-I325 HydrophobicContact CD2-CD1 4.4Å; F65-I325 HydrophobicContact CE2-CD1 4.48Å; F65-I325 HydrophobicContact CE2-CG1 4.43Å
66	R	96.3	Very high	96.2	Very high	89 Å²	89	19.8 Å²	19.8	34%	0.336	10%	0.098	S	C	.	.	H	α-helix	trans	-61.4	-48.9	176.2	179.6	179.2	170.6	164	0.2	112.2	T62 T63 A64 I68 A69 I70 L92	T62-R66 WeakPolarHBondContact O-CB 3.32Å; T62-R66 PolarHBondContact O-N 3.03Å; T63-R66 PolarHBondContact O-N 2.97Å; A64-R66 VanDerWaalsContact C-N 3.34Å; A64-R66 PolarHBondContact O-N 3.03Å; R66-I68 VanDerWaalsContact C-N 3.32Å; R66-I68 PolarHBondContact O-N 3Å; R66-A69 PolarHBondContact O-N 3Å; R66-I70 HydrophobicContact CG-CD1 3.85Å; R66-I70 WeakPolarHBondContact O-CG1 3.41Å; R66-I70 PolarHBondContact O-N 3.17Å; R66-L92 HydrophobicContact CB-CD1 4Å; R66-L92 HydrophobicContact CG-CD1 4.22Å
67	A	94.9	Very high	96	Very high	7 Å²	7	22.5 Å²	22.5	6%	0.058	13%	0.131	C	C	.	.	H	α-helix	trans	-61.2	-41.3	-178.6	0	0	0	0	0	111.8	T63 A64 S71 L344	T63-A67 WeakPolarHBondContact O-CB 3.47Å; T63-A67 PolarHBondContact O-N 3.04Å; A64-A67 PolarHBondContact O-N 2.83Å; A67-S71 WeakPolarHBondContact O-CB 3.49Å; A67-S71 PolarHBondContact O-N 3.18Å; A67-L344 HydrophobicContact CB-CD2 3.95Å
68	I	95.9	Very high	95.9	Very high	3 Å²	3	23 Å²	23	2%	0.015	14%	0.135	C	C	.	.	H	α-helix	trans	-70.2	-42.4	179.1	-63.3	170.4	0	0	0	111.1	A64 F65 R66 I70 S71 F72 L234 I325 L327 L340	A64-I68 WeakPolarHBondContact O-CB 3.49Å; A64-I68 WeakPolarHBondContact O-CD1 3.24Å; A64-I68 WeakPolarHBondContact O-CG1 3.39Å; A64-I68 PolarHBondContact O-N 3.14Å; F65-I68 PolarHBondContact O-N 3.06Å; R66-I68 VanDerWaalsContact C-N 3.32Å; R66-I68 PolarHBondContact O-N 3Å; I68-I70 PolarHBondContact O-N 2.73Å; I68-S71 WeakPolarHBondContact O-CB 3.41Å; I68-S71 PolarHBondContact O-N 2.92Å; I68-F72 PolarHBondContact O-N 2.83Å; I68-L234 HydrophobicContact CB-CD2 3.66Å; I68-L234 HydrophobicContact CD1-CD1 3.54Å; I68-L234 HydrophobicContact CD1-CD2 4Å; I68-L234 HydrophobicContact CD1-CG 4.43Å; I68-L234 HydrophobicContact CG1-CD2 4.39Å; I68-L234 HydrophobicContact CG2-CD1 4.16Å; I68-L234 HydrophobicContact CG2-CD2 3.62Å; I68-L234 HydrophobicContact CG2-CG 4.36Å; I68-I325 HydrophobicContact CD1-CG2 4.19Å; I68-L327 HydrophobicContact CG2-CD1 4.47Å; I68-L340 HydrophobicContact CB-CD1 4.46Å; I68-L340 HydrophobicContact CD1-CD1 4.05Å; I68-L340 HydrophobicContact CG1-CD1 3.46Å; I68-L340 VanDerWaalsContact CG1-CD1 3.46Å
69	A	96.7	Very high	95.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.3	-45.1	175.1	0	0	0	0	0	111.6	F65 R66 S71 F72 I73 I82 L92 L202	F65-A69 WeakPolarHBondContact O-CB 3.41Å; F65-A69 PolarHBondContact O-N 3.34Å; R66-A69 PolarHBondContact O-N 3Å; A69-S71 PolarHBondContact O-N 3.46Å; A69-F72 WeakPolarHBondContact O-CB 3.37Å; A69-F72 PolarHBondContact O-N 2.93Å; A69-I73 VanDerWaalsContact O-CG1 3.27Å; A69-I73 WeakPolarHBondContact O-CG1 3.35Å; A69-I73 PolarHBondContact O-N 3.4Å; A69-I82 HydrophobicContact CB-CD1 4.33Å; A69-L92 HydrophobicContact CB-CD2 4.2Å; A69-L202 HydrophobicContact CB-CD2 4.31Å
70	I	94.9	Very high	95.8	Very high	26 Å²	26	23.2 Å²	23.2	13%	0.133	14%	0.144	C	C	.	.	H	α-helix	trans	-63.1	-43.1	175.5	-68.7	171.2	0	0	0	110.9	R66 I68 F72 I73 K74 L96 E101	R66-I70 HydrophobicContact CG-CD1 3.85Å; R66-I70 WeakPolarHBondContact O-CG1 3.41Å; R66-I70 PolarHBondContact O-N 3.17Å; I68-I70 PolarHBondContact O-N 2.73Å; I70-F72 VanDerWaalsContact C-N 3.26Å; I70-F72 PolarHBondContact O-N 2.78Å; I70-I73 PolarHBondContact O-N 3.18Å; I70-K74 HydrophobicContact CG2-CD 3.93Å; I70-K74 HydrophobicContact CG2-CG 4.33Å; I70-K74 WeakPolarHBondContact O-CB 3.45Å; I70-K74 WeakPolarHBondContact O-CG 3.06Å; I70-K74 PolarHBondContact O-N 3.42Å; I70-L96 HydrophobicContact CD1-CD2 4.33Å; I70-L96 HydrophobicContact CG1-CD2 3.55Å; I70-E101 HydrophobicContact CG1-CB 4.39Å; I70-E101 HydrophobicContact CG2-CG 4.34Å
71	S	94.5	Very high	95.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-56.3	-43.5	175	-174	0	0	0	0	111.4	A67 I68 A69 K74 S75 Q339 S343	A67-S71 WeakPolarHBondContact O-CB 3.49Å; A67-S71 PolarHBondContact O-N 3.18Å; I68-S71 WeakPolarHBondContact O-CB 3.41Å; I68-S71 PolarHBondContact O-N 2.92Å; A69-S71 PolarHBondContact O-N 3.46Å; S71-K74 PolarHBondContact O-N 3.04Å; S71-S75 WeakPolarHBondContact O-CB 3.33Å; S71-S75 PolarHBondContact O-N 2.94Å; S71-Q339 PolarHBondContact O-NE2 3.19Å; S71-Q339 WeakPolarHBondContact OG-CG 3.41Å; S71-S343 WeakPolarHBondContact CB-OG 3.17Å
72	F	96.5	Very high	96	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.3	-51.1	179	-173.8	-97.4	0	0	0	111.5	I68 A69 I70 K74 S75 T76 C80 P200 T201 L202 L334 C335	I68-F72 PolarHBondContact O-N 2.83Å; A69-F72 WeakPolarHBondContact O-CB 3.37Å; A69-F72 PolarHBondContact O-N 2.93Å; I70-F72 VanDerWaalsContact C-N 3.26Å; I70-F72 PolarHBondContact O-N 2.78Å; F72-K74 VanDerWaalsContact C-N 3.32Å; F72-K74 PolarHBondContact O-N 3.43Å; F72-S75 PolarHBondContact O-N 3.37Å; F72-S75 VanDerWaalsContact O-N 3.12Å; F72-S75 PolarHBondContact O-OG 2.9Å; F72-T76 PolarHBondContact O-N 2.92Å; F72-T76 PolarHBondContact O-OG1 3.29Å; F72-C80 HydrophobicContact CD1-CB 4.26Å; F72-C80 HydrophobicContact CE1-CB 3.64Å; F72-C80 HydrophobicContact CZ-CB 4.48Å; F72-P200 HydrophobicContact CE1-CB 4.44Å; F72-P200 HydrophobicContact CZ-CB 3.95Å; F72-T201 VanDerWaalsContact CZ-C 3.46Å; F72-L202 HydrophobicContact CB-CD2 3.88Å; F72-L202 HydrophobicContact CD1-CB 3.6Å; F72-L202 HydrophobicContact CD1-CD2 4.2Å; F72-L202 HydrophobicContact CD2-CB 4.07Å; F72-L202 HydrophobicContact CE1-CB 3.52Å; F72-L202 HydrophobicContact CE2-CB 4.01Å; F72-L202 HydrophobicContact CG-CB 3.87Å; F72-L202 HydrophobicContact CG-CD2 3.97Å; F72-L202 HydrophobicContact CG-CG 4.41Å; F72-L202 HydrophobicContact CZ-CB 3.76Å; F72-L334 HydrophobicContact CD2-CB 4.28Å; F72-L334 HydrophobicContact CE2-CB 3.88Å; F72-L334 HydrophobicContact CE2-CD1 3.87Å; F72-L334 HydrophobicContact CE2-CD2 4.37Å; F72-L334 HydrophobicContact CE2-CG 4.25Å; F72-L334 HydrophobicContact CZ-CD1 4.27Å; F72-C335 WeakPolarHBondContact CA-SG 3.49Å; F72-C335 WeakPolarHBondContact CB-SG 3.41Å; F72-C335 PolarHBondContact N-SG 3.29Å
73	I	95.9	Very high	96	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.015	14%	0.135	C	C	.	.	H	α-helix	trans	-58.8	-43.5	178.7	-65.3	169.3	0	0	0	111	A69 I70 S75 T76 G77 G78 I82 L96 E101 P103	A69-I73 VanDerWaalsContact O-CG1 3.27Å; A69-I73 WeakPolarHBondContact O-CG1 3.35Å; A69-I73 PolarHBondContact O-N 3.4Å; I70-I73 PolarHBondContact O-N 3.18Å; I73-S75 PolarHBondContact O-N 2.89Å; I73-T76 PolarHBondContact O-N 3.5Å; I73-T76 PolarHBondContact O-OG1 3.24Å; I73-G77 PolarHBondContact O-N 2.89Å; I73-G77 VanDerWaalsContact O-N 3.12Å; I73-G78 PolarHBondContact O-N 2.92Å; I73-I82 HydrophobicContact CD1-CD1 3.74Å; I73-I82 HydrophobicContact CG1-CD1 3.97Å; I73-L96 HydrophobicContact CD1-CD1 4Å; I73-L96 HydrophobicContact CD1-CD2 4.01Å; I73-E101 WeakPolarHBondContact CD1-O 3.48Å; I73-P103 HydrophobicContact CG1-CB 4.48Å
74	K	93.9	Very high	96.2	Very high	113 Å²	113	21.3 Å²	21.3	49%	0.491	13%	0.133	S	C	.	.	H	α-helix	trans	-65.3	-38	176.8	-73.9	-177.7	177.3	-176.1	0	112.7	I70 S71 F72 T76 G77 E101	I70-K74 HydrophobicContact CG2-CD 3.93Å; I70-K74 HydrophobicContact CG2-CG 4.33Å; I70-K74 WeakPolarHBondContact O-CB 3.45Å; I70-K74 WeakPolarHBondContact O-CG 3.06Å; I70-K74 PolarHBondContact O-N 3.42Å; S71-K74 PolarHBondContact O-N 3.04Å; F72-K74 VanDerWaalsContact C-N 3.32Å; F72-K74 PolarHBondContact O-N 3.43Å; K74-T76 PolarHBondContact O-N 3.47Å; K74-G77 PolarHBondContact O-N 3.49Å; K74-E101 WeakPolarHBondContact CE-OE1 3.39Å; K74-E101 IonicContact NZ-OE1 3.24Å; K74-E101 PolarHBondContact NZ-OE1 2.96Å
75	S	94	Very high	96.3	Very high	41 Å²	41	21.2 Å²	21.2	29%	0.287	13%	0.133	S	C	.	.	H	α-helix	trans	-65.9	-20.9	179	74.5	0	0	0	0	113.3	S71 F72 I73	S71-S75 WeakPolarHBondContact O-CB 3.33Å; S71-S75 PolarHBondContact O-N 2.94Å; F72-S75 PolarHBondContact O-N 3.37Å; F72-S75 VanDerWaalsContact O-N 3.12Å; F72-S75 PolarHBondContact O-OG 2.9Å; I73-S75 PolarHBondContact O-N 2.89Å
76	T	95.6	Very high	96.3	Very high	25 Å²	25	22.1 Å²	22.1	15%	0.153	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	0.7	-179.7	61.4	0	0	0	0	112.9	F72 I73 K74 G78 A79 C80 P200 L334	F72-T76 PolarHBondContact O-N 2.92Å; F72-T76 PolarHBondContact O-OG1 3.29Å; I73-T76 PolarHBondContact O-N 3.5Å; I73-T76 PolarHBondContact O-OG1 3.24Å; K74-T76 PolarHBondContact O-N 3.47Å; T76-G78 PolarHBondContact O-N 2.96Å; T76-A79 PolarHBondContact O-N 3.39Å; T76-C80 HydrophobicContact CG2-CB 3.9Å; T76-C80 WeakPolarHBondContact OG1-CB 3.41Å; T76-C80 PolarHBondContact OG1-SG 3.34Å; T76-P200 HydrophobicContact CG2-CB 3.64Å; T76-P200 HydrophobicContact CG2-CG 3.86Å; T76-L334 HydrophobicContact CG2-CD2 3.84Å
77	G	93.8	Very high	96.4	Very high	73 Å²	73	18.3 Å²	18.3	75%	0.753	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	27.3	-174.2	0	0	0	0	0	113.5	I73 K74 A79	I73-G77 PolarHBondContact O-N 2.89Å; I73-G77 VanDerWaalsContact O-N 3.12Å; K74-G77 PolarHBondContact O-N 3.49Å; G77-A79 VanDerWaalsContact C-N 3.27Å; G77-A79 PolarHBondContact O-N 3.27Å
78	G	94.4	Very high	96.5	Very high	18 Å²	18	18.2 Å²	18.2	19%	0.186	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	-16.1	-175.8	0	0	0	0	0	115	I73 T76 C80 E104	I73-G78 PolarHBondContact O-N 2.92Å; T76-G78 PolarHBondContact O-N 2.96Å; G78-C80 PolarHBondContact O-N 3.47Å; G78-E104 PolarHBondContact O-N 3.35Å
79	A	96.3	Very high	96.6	Very high	38 Å²	38	18.4 Å²	18.4	31%	0.314	13%	0.131	S	C	.	.			trans	-77.4	61.8	-179.4	0	0	0	0	0	111.9	T76 G77	T76-A79 PolarHBondContact O-N 3.39Å; G77-A79 VanDerWaalsContact C-N 3.27Å; G77-A79 PolarHBondContact O-N 3.27Å
80	C	98	Very high	96.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	14%	0.136	C	C	.	.			trans	-147.8	176.2	-178.1	67.5	0	0	0	0	112.5	F72 T76 G78 P103 E104 P200	F72-C80 HydrophobicContact CD1-CB 4.26Å; F72-C80 HydrophobicContact CE1-CB 3.64Å; F72-C80 HydrophobicContact CZ-CB 4.48Å; T76-C80 HydrophobicContact CG2-CB 3.9Å; T76-C80 WeakPolarHBondContact OG1-CB 3.41Å; T76-C80 PolarHBondContact OG1-SG 3.34Å; G78-C80 PolarHBondContact O-N 3.47Å; C80-P103 VanDerWaalsContact O-CB 3.31Å; C80-P103 WeakPolarHBondContact O-CB 3.38Å; C80-E104 PolarHBondContact O-N 3.35Å; C80-P200 CarbonylContact C-O 3.54Å; C80-P200 VanDerWaalsContact CA-O 3.29Å; C80-P200 WeakPolarHBondContact CA-O 3.28Å; C80-P200 HydrophobicContact CB-CB 3.94Å; C80-P200 VanDerWaalsContact CB-O 3.3Å; C80-P200 WeakPolarHBondContact CB-O 3.37Å
81	Q	98.4	Very high	96.8	Very high	6 Å²	6	18.6 Å²	18.6	3%	0.028	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.7	-179.5	-50.7	173.2	121.6	0	0	109.2	L105 C195 S196 P200 T201 L202	Q81-L105 CarbonylContact C-O 3.56Å; Q81-L105 WeakPolarHBondContact CA-O 3.18Å; Q81-L105 HydrophobicContact CB-CB 4.36Å; Q81-L105 HydrophobicContact CG-CB 4.12Å; Q81-L105 HydrophobicContact CG-CD2 4.39Å; Q81-C195 PolarHBondContact NE2-SG 3.16Å; Q81-S196 PolarHBondContact NE2-O 3.24Å; Q81-P200 PolarHBondContact N-O 3.31Å; Q81-T201 HydrophobicContact CB-CG2 4.24Å; Q81-T201 PolarHBondContact NE2-OG1 3.45Å; Q81-T201 WeakPolarHBondContact O-CA 3.43Å; Q81-L202 PolarHBondContact O-N 2.98Å
82	I	98.7	Very high	97	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.8	169.7	-61.6	-175.9	0	0	0	108.7	A69 I73 L96 P103 L105 Y106 V107 L202 L204	A69-I82 HydrophobicContact CB-CD1 4.33Å; I73-I82 HydrophobicContact CD1-CD1 3.74Å; I73-I82 HydrophobicContact CG1-CD1 3.97Å; I82-L96 HydrophobicContact CD1-CD1 4.11Å; I82-P103 HydrophobicContact CB-CG 4.19Å; I82-P103 HydrophobicContact CD1-CB 4.43Å; I82-P103 HydrophobicContact CD1-CG 4.06Å; I82-P103 HydrophobicContact CG1-CB 4.11Å; I82-P103 HydrophobicContact CG1-CG 3.93Å; I82-L105 PolarHBondContact N-O 2.88Å; I82-Y106 HydrophobicContact CB-CD2 3.71Å; I82-Y106 HydrophobicContact CB-CE2 3.84Å; I82-Y106 HydrophobicContact CB-CG 4.41Å; I82-Y106 HydrophobicContact CD1-CD2 4.29Å; I82-Y106 HydrophobicContact CD1-CE2 4.16Å; I82-Y106 HydrophobicContact CG1-CD2 4.45Å; I82-Y106 HydrophobicContact CG2-CD2 3.93Å; I82-Y106 HydrophobicContact CG2-CE2 3.52Å; I82-Y106 CarbonylContact O-C 3.59Å; I82-Y106 WeakPolarHBondContact O-CA 3.3Å; I82-V107 PolarHBondContact O-N 3.38Å; I82-L202 WeakPolarHBondContact CA-O 3.32Å; I82-L202 HydrophobicContact CG1-CB 4.31Å; I82-L204 HydrophobicContact CG2-CD1 3.74Å; I82-L204 HydrophobicContact CG2-CG 4.05Å
83	V	98.8	Very high	97	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	105.5	177.5	-178.1	0	0	0	0	108.4	L85 V107 L109 L186 T201 L202 F203 L204	V83-L85 HydrophobicContact CG1-CD2 3.95Å; V83-V107 CarbonylContact C-O 3.58Å; V83-V107 WeakPolarHBondContact CA-O 3.38Å; V83-V107 HydrophobicContact CG1-CB 4.49Å; V83-V107 HydrophobicContact CG2-CB 4.31Å; V83-V107 HydrophobicContact CG2-CG2 4.48Å; V83-L109 HydrophobicContact CG1-CD1 3.59Å; V83-L186 HydrophobicContact CG1-CD1 4.21Å; V83-L186 HydrophobicContact CG1-CD2 4.28Å; V83-L186 HydrophobicContact CG2-CD1 4.13Å; V83-L186 HydrophobicContact CG2-CD2 4.32Å; V83-T201 HydrophobicContact CG2-CG2 4.01Å; V83-L202 PolarHBondContact N-O 3.3Å; V83-F203 HydrophobicContact CB-CD1 3.66Å; V83-F203 HydrophobicContact CB-CE1 3.81Å; V83-F203 HydrophobicContact CG1-CD1 3.96Å; V83-F203 HydrophobicContact CG1-CE1 4.05Å; V83-F203 HydrophobicContact CG2-CD1 4.31Å; V83-F203 HydrophobicContact CG2-CE1 3.98Å; V83-F203 CarbonylContact O-C 3.6Å; V83-F203 WeakPolarHBondContact O-CA 3.42Å; V83-L204 PolarHBondContact O-N 2.68Å
84	N	98.9	Very high	97	Very high	1 Å²	1	19 Å²	19	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	110	178.1	-164.6	-0.8	0	0	0	110.3	A87 D90 Y106 V107 E108 L109 L204	N84-A87 HydrophobicContact CB-CB 3.91Å; N84-D90 PolarHBondContact ND2-OD2 2.59Å; N84-Y106 HydrophobicContact CB-CE1 4.46Å; N84-V107 PolarHBondContact N-O 3.2Å; N84-E108 HydrophobicContact CB-CG 4.15Å; N84-E108 WeakPolarHBondContact O-CA 3.37Å; N84-L109 PolarHBondContact O-N 3.31Å; N84-L204 HydrophobicContact CB-CB 4.32Å; N84-L204 HydrophobicContact CB-CD1 4.26Å
85	L	98.8	Very high	97	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127.7	-178.1	-53.4	169.6	0	0	0	108.5	V83 A87 L109 L175 F203 L204 V208 L220 L224 F233	V83-L85 HydrophobicContact CG1-CD2 3.95Å; L85-A87 VanDerWaalsContact C-N 3.35Å; L85-L109 HydrophobicContact CD2-CD1 3.64Å; L85-L175 HydrophobicContact CB-CD1 3.86Å; L85-L175 HydrophobicContact CB-CD2 4.49Å; L85-L175 HydrophobicContact CD2-CD2 3.9Å; L85-F203 HydrophobicContact CD1-CB 4.31Å; L85-F203 HydrophobicContact CD1-CD1 4.43Å; L85-L204 VanDerWaalsContact CB-O 3.25Å; L85-L204 WeakPolarHBondContact CB-O 3.49Å; L85-L204 WeakPolarHBondContact CG-O 3.2Å; L85-L204 PolarHBondContact N-O 2.91Å; L85-V208 VanDerWaalsContact O-CG2 3.32Å; L85-V208 WeakPolarHBondContact O-CG2 3.34Å; L85-L220 HydrophobicContact CD1-CD2 4.39Å; L85-L224 HydrophobicContact CD1-CD1 4.03Å; L85-F233 HydrophobicContact CD1-CE2 3.77Å; L85-F233 HydrophobicContact CD1-CZ 3.89Å
86	G	98.1	Very high	97.1	Very high	22 Å²	22	12.7 Å²	12.7	23%	0.227	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	43.5	-175.4	0	0	0	0	0	111.9	G88 L109 D110	G86-G88 PolarHBondContact O-N 2.83Å; G86-L109 VanDerWaalsContact CA-O 3.27Å; G86-L109 WeakPolarHBondContact CA-O 3.44Å; G86-L109 PolarHBondContact N-O 2.8Å; G86-D110 WeakPolarHBondContact CA-OD2 3.4Å
87	A	98.3	Very high	97	Very high	8 Å²	8	13.5 Å²	13.5	7%	0.066	11%	0.108	C	C	.	.			trans	-66.9	-22.4	-169.7	0	0	0	0	0	113.6	N84 L85 S89 D90 E108 L109 D110	N84-A87 HydrophobicContact CB-CB 3.91Å; L85-A87 VanDerWaalsContact C-N 3.35Å; A87-S89 PolarHBondContact O-N 3.08Å; A87-D90 WeakPolarHBondContact O-CB 3.48Å; A87-D90 PolarHBondContact O-N 3.35Å; A87-E108 HydrophobicContact CB-CB 3.64Å; A87-E108 HydrophobicContact CB-CG 3.79Å; A87-L109 PolarHBondContact N-O 2.79Å; A87-D110 PolarHBondContact N-OD2 3Å
88	G	96.8	Very high	96.9	Very high	5 Å²	5	13.4 Å²	13.4	5%	0.052	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.8	-131	-174.8	0	0	0	0	0	111.4	N19 G86 D90 D110 K118	N19-G88 VanDerWaalsContact OD1-CA 3.27Å; N19-G88 WeakPolarHBondContact OD1-CA 3.28Å; G86-G88 PolarHBondContact O-N 2.83Å; G88-D90 VanDerWaalsContact C-N 3.33Å; G88-D90 PolarHBondContact O-N 2.9Å; G88-D110 VanDerWaalsContact CA-OD2 3.27Å; G88-D110 WeakPolarHBondContact CA-OD2 3.36Å; G88-D110 PolarHBondContact N-OD2 3.36Å; G88-K118 WeakPolarHBondContact O-CD 3.23Å; G88-K118 PolarHBondContact O-NZ 3.29Å
89	S	97.4	Very high	96.8	Very high	7 Å²	7	14.3 Å²	14.3	5%	0.049	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	20.8	176.3	-62.2	0	0	0	0	114.5	N19 T23 A87	N19-S89 PolarHBondContact ND2-OG 2.77Å; N19-S89 PolarHBondContact OD1-N 3.02Å; T23-S89 WeakPolarHBondContact OG1-CB 3.35Å; A87-S89 PolarHBondContact O-N 3.08Å
90	D	98	Very high	96.6	Very high	20 Å²	20	21 Å²	21	11%	0.107	12%	0.12	C	C	.	.			trans	-52.5	139.5	-179.7	-169.9	-13.5	0	0	0	112.2	N84 A87 G88 L92 K118	N84-D90 PolarHBondContact ND2-OD2 2.59Å; A87-D90 WeakPolarHBondContact O-CB 3.48Å; A87-D90 PolarHBondContact O-N 3.35Å; G88-D90 VanDerWaalsContact C-N 3.33Å; G88-D90 PolarHBondContact O-N 2.9Å; D90-L92 VanDerWaalsContact OD1-CB 3.3Å; D90-L92 WeakPolarHBondContact OD1-CB 3.32Å; D90-L92 PolarHBondContact OD1-N 2.82Å; D90-K118 WeakPolarHBondContact O-CE 3.27Å; D90-K118 PolarHBondContact O-NZ 2.89Å
91	T	97.7	Very high	96.4	Very high	11 Å²	11	23.3 Å²	23.3	7%	0.067	13%	0.131	C	C	.	.			trans	-106.7	4.8	-176.8	54	0	0	0	0	113.3	D37 I40 F43 Y93 F94 A95	D37-T91 VanDerWaalsContact OD2-CB 3.3Å; D37-T91 WeakPolarHBondContact OD2-CB 3.36Å; D37-T91 PolarHBondContact OD2-OG1 3.25Å; I40-T91 HydrophobicContact CB-CG2 4.42Å; I40-T91 HydrophobicContact CD1-CG2 4.09Å; F43-T91 HydrophobicContact CD2-CG2 3.93Å; F43-T91 HydrophobicContact CE2-CG2 4.06Å; T91-Y93 VanDerWaalsContact C-N 3.32Å; T91-Y93 PolarHBondContact O-N 3Å; T91-F94 HydrophobicContact CG2-CD2 4.33Å; T91-F94 PolarHBondContact O-N 3.15Å; T91-A95 PolarHBondContact O-N 3.26Å; T91-A95 VanDerWaalsContact O-N 3.15Å
92	L	97.9	Very high	96.2	Very high	10 Å²	10	25.4 Å²	25.4	5%	0.052	14%	0.144	C	C	.	.	H	α-helix	trans	-52.9	-45.1	-176.4	177.2	59.9	0	0	0	112.8	R66 A69 D90 F94 A95 L96 L204	R66-L92 HydrophobicContact CB-CD1 4Å; R66-L92 HydrophobicContact CG-CD1 4.22Å; A69-L92 HydrophobicContact CB-CD2 4.2Å; D90-L92 VanDerWaalsContact OD1-CB 3.3Å; D90-L92 WeakPolarHBondContact OD1-CB 3.32Å; D90-L92 PolarHBondContact OD1-N 2.82Å; L92-F94 VanDerWaalsContact C-N 3.26Å; L92-F94 PolarHBondContact O-N 3Å; L92-A95 WeakPolarHBondContact O-CB 3.34Å; L92-A95 PolarHBondContact O-N 2.84Å; L92-A95 VanDerWaalsContact O-N 3.08Å; L92-L96 HydrophobicContact CD1-CD1 4.32Å; L92-L96 HydrophobicContact CD1-CD2 4.33Å; L92-L96 HydrophobicContact CD1-CG 4.03Å; L92-L96 HydrophobicContact CG-CD1 4.1Å; L92-L96 HydrophobicContact CG-CG 4.27Å; L92-L96 WeakPolarHBondContact O-CG 3.44Å; L92-L96 PolarHBondContact O-N 2.93Å; L92-L204 HydrophobicContact CD2-CD1 3.45Å; L92-L204 VanDerWaalsContact CD2-CD1 3.45Å
93	Y	97.5	Very high	96.1	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.008	15%	0.146	C	C	.	.	H	α-helix	trans	-54.7	-42.9	177.5	174.6	-111.7	0	0	0	112.2	T91 L96 K97 T102 Y106 L128 T165 G166 F168	T91-Y93 VanDerWaalsContact C-N 3.32Å; T91-Y93 PolarHBondContact O-N 3Å; Y93-L96 WeakPolarHBondContact O-CB 3.41Å; Y93-L96 PolarHBondContact O-N 2.86Å; Y93-K97 WeakPolarHBondContact O-CB 3.47Å; Y93-K97 PolarHBondContact O-N 2.94Å; Y93-T102 HydrophobicContact CE2-CG2 4.29Å; Y93-Y106 HydrophobicContact CD2-CD1 4.04Å; Y93-Y106 AromaticContact CD2-CD2 3.86Å; Y93-Y106 HydrophobicContact CD2-CD2 3.86Å; Y93-Y106 HydrophobicContact CD2-CE2 4.47Å; Y93-Y106 AromaticContact CD2-CG 3.62Å; Y93-Y106 HydrophobicContact CD2-CG 3.62Å; Y93-Y106 HydrophobicContact CE2-CG 4.41Å; Y93-Y106 HydrophobicContact CG-CD1 4.27Å; Y93-Y106 HydrophobicContact CG-CG 4.29Å; Y93-L128 HydrophobicContact CD1-CD2 4.23Å; Y93-L128 HydrophobicContact CE1-CD2 3.6Å; Y93-T165 PolarHBondContact OH-O 3.15Å; Y93-G166 WeakPolarHBondContact OH-CA 3.14Å; Y93-F168 HydrophobicContact CD1-CB 4.26Å; Y93-F168 AromaticContact CD1-CD1 3.75Å; Y93-F168 HydrophobicContact CD1-CD1 3.75Å; Y93-F168 AromaticContact CD1-CD2 3.75Å; Y93-F168 HydrophobicContact CD1-CD2 3.75Å; Y93-F168 AromaticContact CD1-CE1 3.89Å; Y93-F168 HydrophobicContact CD1-CE1 3.89Å; Y93-F168 AromaticContact CD1-CE2 3.9Å; Y93-F168 HydrophobicContact CD1-CE2 3.9Å; Y93-F168 AromaticContact CD1-CG 3.66Å; Y93-F168 HydrophobicContact CD1-CG 3.66Å; Y93-F168 AromaticContact CD1-CZ 3.96Å; Y93-F168 HydrophobicContact CD1-CZ 3.96Å; Y93-F168 AromaticContact CD2-CD2 3.99Å; Y93-F168 HydrophobicContact CD2-CD2 3.99Å; Y93-F168 HydrophobicContact CD2-CE2 4.47Å; Y93-F168 HydrophobicContact CD2-CG 4.37Å; Y93-F168 HydrophobicContact CE1-CB 3.64Å; Y93-F168 AromaticContact CE1-CD1 3.67Å; Y93-F168 HydrophobicContact CE1-CD1 3.67Å; Y93-F168 HydrophobicContact CE1-CD2 4.03Å; Y93-F168 HydrophobicContact CE1-CE1 4.26Å; Y93-F168 AromaticContact CE1-CG 3.52Å; Y93-F168 HydrophobicContact CE1-CG 3.52Å; Y93-F168 HydrophobicContact CE2-CB 4.03Å; Y93-F168 HydrophobicContact CE2-CD2 4.3Å; Y93-F168 HydrophobicContact CE2-CG 4.29Å; Y93-F168 AromaticContact CG-CD2 3.73Å; Y93-F168 HydrophobicContact CG-CD2 3.73Å; Y93-F168 AromaticContact CG-CE2 3.83Å; Y93-F168 HydrophobicContact CG-CE2 3.83Å; Y93-F168 HydrophobicContact CG-CG 4.09Å; Y93-F168 HydrophobicContact CG-CZ 4.28Å; Y93-F168 AromaticContact CZ-CG 3.88Å
94	F	95.9	Very high	96	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-69.8	-36.3	179.6	-49.3	-77.9	0	0	0	112.2	Y39 F43 T91 L92 L96 K97 D98 I122 L127 L128	Y39-F94 HydrophobicContact CD1-CB 3.98Å; Y39-F94 AromaticContact CD1-CD1 3.9Å; Y39-F94 HydrophobicContact CD1-CD1 3.9Å; Y39-F94 HydrophobicContact CD1-CD2 4.29Å; Y39-F94 HydrophobicContact CD1-CE1 4.48Å; Y39-F94 AromaticContact CD1-CG 3.81Å; Y39-F94 HydrophobicContact CD1-CG 3.81Å; Y39-F94 HydrophobicContact CD2-CB 3.33Å; Y39-F94 HydrophobicContact CD2-CD2 4.44Å; Y39-F94 AromaticContact CD2-CG 3.99Å; Y39-F94 HydrophobicContact CD2-CG 3.99Å; Y39-F94 HydrophobicContact CE1-CB 3.92Å; Y39-F94 AromaticContact CE1-CD1 3.8Å; Y39-F94 HydrophobicContact CE1-CD1 3.8Å; Y39-F94 AromaticContact CE1-CG 3.98Å; Y39-F94 HydrophobicContact CE1-CG 3.98Å; Y39-F94 HydrophobicContact CE2-CB 3.26Å; Y39-F94 HydrophobicContact CE2-CG 4.16Å; Y39-F94 HydrophobicContact CG-CB 3.69Å; Y39-F94 HydrophobicContact CG-CD1 4.37Å; Y39-F94 HydrophobicContact CG-CD2 4.04Å; Y39-F94 AromaticContact CG-CG 3.8Å; Y39-F94 HydrophobicContact CG-CG 3.8Å; F43-F94 AromaticContact CE2-CE2 3.77Å; F43-F94 HydrophobicContact CE2-CE2 3.77Å; F43-F94 HydrophobicContact CE2-CZ 4.27Å; F43-F94 AromaticContact CZ-CE2 3.79Å; F43-F94 HydrophobicContact CZ-CE2 3.79Å; F43-F94 AromaticContact CZ-CZ 3.93Å; F43-F94 HydrophobicContact CZ-CZ 3.93Å; T91-F94 HydrophobicContact CG2-CD2 4.33Å; T91-F94 PolarHBondContact O-N 3.15Å; L92-F94 VanDerWaalsContact C-N 3.26Å; L92-F94 PolarHBondContact O-N 3Å; F94-L96 VanDerWaalsContact C-N 3.32Å; F94-K97 PolarHBondContact O-N 2.79Å; F94-D98 WeakPolarHBondContact O-CB 3.07Å; F94-D98 PolarHBondContact O-N 3.18Å; F94-I122 HydrophobicContact CE1-CG1 4.43Å; F94-I122 HydrophobicContact CZ-CD1 4.08Å; F94-I122 HydrophobicContact CZ-CG1 3.86Å; F94-L127 HydrophobicContact CD1-CB 4.49Å; F94-L127 HydrophobicContact CE1-CB 3.86Å; F94-L127 HydrophobicContact CE1-CD1 4.31Å; F94-L127 HydrophobicContact CZ-CB 4.48Å; F94-L127 HydrophobicContact CZ-CD1 4.14Å; F94-L128 HydrophobicContact CD1-CD2 3.89Å; F94-L128 HydrophobicContact CE1-CD2 3.61Å; F94-L128 HydrophobicContact CE1-CG 4.3Å
95	A	94.7	Very high	95.9	Very high	20 Å²	20	29.9 Å²	29.9	17%	0.165	17%	0.166	C	C	.	.	H	α-helix	trans	-63.9	-38.1	174	0	0	0	0	0	112	T91 L92 A99	T91-A95 PolarHBondContact O-N 3.26Å; T91-A95 VanDerWaalsContact O-N 3.15Å; L92-A95 WeakPolarHBondContact O-CB 3.34Å; L92-A95 PolarHBondContact O-N 2.84Å; L92-A95 VanDerWaalsContact O-N 3.08Å; A95-A99 WeakPolarHBondContact O-CB 3.3Å; A95-A99 PolarHBondContact O-N 3.49Å; A95-A99 VanDerWaalsContact O-N 3.09Å
96	L	95.2	Very high	95.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.7	-45.1	173.7	-68.5	177.9	0	0	0	111.7	I70 I73 I82 L92 Y93 F94 D98 A99 Q100 E101 T102 Y106	I70-L96 HydrophobicContact CD1-CD2 4.33Å; I70-L96 HydrophobicContact CG1-CD2 3.55Å; I73-L96 HydrophobicContact CD1-CD1 4Å; I73-L96 HydrophobicContact CD1-CD2 4.01Å; I82-L96 HydrophobicContact CD1-CD1 4.11Å; L92-L96 HydrophobicContact CD1-CD1 4.32Å; L92-L96 HydrophobicContact CD1-CD2 4.33Å; L92-L96 HydrophobicContact CD1-CG 4.03Å; L92-L96 HydrophobicContact CG-CD1 4.1Å; L92-L96 HydrophobicContact CG-CG 4.27Å; L92-L96 WeakPolarHBondContact O-CG 3.44Å; L92-L96 PolarHBondContact O-N 2.93Å; Y93-L96 WeakPolarHBondContact O-CB 3.41Å; Y93-L96 PolarHBondContact O-N 2.86Å; F94-L96 VanDerWaalsContact C-N 3.32Å; L96-D98 PolarHBondContact O-N 3.45Å; L96-A99 CarbonylContact O-C 3.57Å; L96-A99 PolarHBondContact O-N 2.94Å; L96-Q100 PolarHBondContact O-N 3.43Å; L96-Q100 VanDerWaalsContact O-N 3.09Å; L96-E101 WeakPolarHBondContact CB-O 3.3Å; L96-E101 PolarHBondContact O-N 2.9Å; L96-T102 HydrophobicContact CB-CG2 4.49Å; L96-Y106 HydrophobicContact CD1-CD2 4.16Å; L96-Y106 HydrophobicContact CD1-CE2 3.7Å
97	K	93.7	Very high	95.9	Very high	42 Å²	42	28.8 Å²	28.8	18%	0.183	16%	0.155	C	C	.	.	H	α-helix	trans	-57.5	-47.4	174.6	175.4	173.5	174.6	-85	0	112.2	Y93 F94 A99 Q100 T102 L128	Y93-K97 WeakPolarHBondContact O-CB 3.47Å; Y93-K97 PolarHBondContact O-N 2.94Å; F94-K97 PolarHBondContact O-N 2.79Å; K97-A99 VanDerWaalsContact C-N 3.28Å; K97-A99 PolarHBondContact O-N 3.31Å; K97-Q100 PolarHBondContact O-N 2.97Å; K97-Q100 VanDerWaalsContact O-N 3.09Å; K97-T102 HydrophobicContact CB-CG2 4.06Å; K97-L128 HydrophobicContact CD-CD2 4.32Å
98	D	92.3	Very high	95.9	Very high	72 Å²	72	28.4 Å²	28.4	39%	0.385	15%	0.152	S	C	.	.	H	α-helix	trans	-64.5	-33.4	177.4	-83.5	-7.1	0	0	0	112.8	K38 Y39 F94 L96 Q100	K38-D98 WeakPolarHBondContact CE-OD2 3.15Å; K38-D98 IonicContact NZ-OD1 2.82Å; K38-D98 PolarHBondContact NZ-OD1 3.04Å; K38-D98 IonicContact NZ-OD2 3.34Å; K38-D98 PolarHBondContact NZ-OD2 3.44Å; Y39-D98 WeakPolarHBondContact CE2-OD2 3.45Å; Y39-D98 PolarHBondContact OH-OD1 3Å; Y39-D98 VanDerWaalsContact OH-OD1 3.11Å; F94-D98 WeakPolarHBondContact O-CB 3.07Å; F94-D98 PolarHBondContact O-N 3.18Å; L96-D98 PolarHBondContact O-N 3.45Å; D98-Q100 PolarHBondContact O-N 2.88Å
99	A	91.8	Very high	96	Very high	36 Å²	36	28.2 Å²	28.2	30%	0.298	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-6.6	175.2	0	0	0	0	0	113.4	A95 L96 K97 E101	A95-A99 WeakPolarHBondContact O-CB 3.3Å; A95-A99 PolarHBondContact O-N 3.49Å; A95-A99 VanDerWaalsContact O-N 3.09Å; L96-A99 CarbonylContact O-C 3.57Å; L96-A99 PolarHBondContact O-N 2.94Å; K97-A99 VanDerWaalsContact C-N 3.28Å; K97-A99 PolarHBondContact O-N 3.31Å; A99-E101 HydrophobicContact CB-CB 4.3Å; A99-E101 HydrophobicContact CB-CG 4.04Å; A99-E101 PolarHBondContact O-N 2.94Å
100	Q	92.6	Very high	96	Very high	178 Å²	178	28.6 Å²	28.6	83%	0.832	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	30.2	-170.6	-54.6	-178.9	-10.4	0	0	113.3	L96 K97 D98	L96-Q100 PolarHBondContact O-N 3.43Å; L96-Q100 VanDerWaalsContact O-N 3.09Å; K97-Q100 PolarHBondContact O-N 2.97Å; K97-Q100 VanDerWaalsContact O-N 3.09Å; D98-Q100 PolarHBondContact O-N 2.88Å
101	E	93	Very high	95.9	Very high	49 Å²	49	28.4 Å²	28.4	23%	0.229	15%	0.15	C	C	.	.			trans	-119.1	59.9	-178.3	-61.3	-73.2	-176	0	0	108.8	I70 I73 K74 L96 A99	I70-E101 HydrophobicContact CG1-CB 4.39Å; I70-E101 HydrophobicContact CG2-CG 4.34Å; I73-E101 WeakPolarHBondContact CD1-O 3.48Å; K74-E101 WeakPolarHBondContact CE-OE1 3.39Å; K74-E101 IonicContact NZ-OE1 3.24Å; K74-E101 PolarHBondContact NZ-OE1 2.96Å; L96-E101 WeakPolarHBondContact CB-O 3.3Å; L96-E101 PolarHBondContact O-N 2.9Å; A99-E101 HydrophobicContact CB-CB 4.3Å; A99-E101 HydrophobicContact CB-CG 4.04Å; A99-E101 PolarHBondContact O-N 2.94Å
102	T	94.4	Very high	95.7	Very high	50 Å²	50	29.7 Å²	29.7	31%	0.307	16%	0.158	S	C	.	.			trans	-96.2	140	179.8	52.6	0	0	0	0	111.5	Y93 L96 K97	Y93-T102 HydrophobicContact CE2-CG2 4.29Å; L96-T102 HydrophobicContact CB-CG2 4.49Å; K97-T102 HydrophobicContact CB-CG2 4.06Å
103	P	96.7	Very high	95.4	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.032	17%	0.173	C	C	.	.			trans	-68.7	169.1	169.6	33.9	-36.9	0	0	0	111	I73 C80 I82 L105 Y106	I73-P103 HydrophobicContact CG1-CB 4.48Å; C80-P103 VanDerWaalsContact O-CB 3.31Å; C80-P103 WeakPolarHBondContact O-CB 3.38Å; I82-P103 HydrophobicContact CB-CG 4.19Å; I82-P103 HydrophobicContact CD1-CB 4.43Å; I82-P103 HydrophobicContact CD1-CG 4.06Å; I82-P103 HydrophobicContact CG1-CB 4.11Å; I82-P103 HydrophobicContact CG1-CG 3.93Å; P103-L105 WeakPolarHBondContact CG-O 3.47Å; P103-L105 PolarHBondContact O-N 3.09Å; P103-Y106 HydrophobicContact CG-CD2 3.83Å; P103-Y106 HydrophobicContact CG-CG 4.41Å
104	E	96.3	Very high	95.3	Very high	81 Å²	81	31.9 Å²	31.9	38%	0.379	17%	0.174	S	C	.	.	S	Bend	trans	-65	-27	172.5	-77.6	-171.3	-175.7	0	0	113.4	G78 C80 R167	G78-E104 PolarHBondContact O-N 3.35Å; C80-E104 PolarHBondContact O-N 3.35Å; E104-R167 WeakPolarHBondContact O-CB 3.19Å; E104-R167 VanDerWaalsContact O-CD 3.32Å; E104-R167 WeakPolarHBondContact O-CD 3.42Å
105	L	97.6	Very high	95.3	Very high	9 Å²	9	32 Å²	32	5%	0.047	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	128.9	177.2	178.1	67.3	0	0	0	109.2	Q81 I82 P103 V107 R167 C195	Q81-L105 CarbonylContact C-O 3.56Å; Q81-L105 WeakPolarHBondContact CA-O 3.18Å; Q81-L105 HydrophobicContact CB-CB 4.36Å; Q81-L105 HydrophobicContact CG-CB 4.12Å; Q81-L105 HydrophobicContact CG-CD2 4.39Å; I82-L105 PolarHBondContact N-O 2.88Å; P103-L105 WeakPolarHBondContact CG-O 3.47Å; P103-L105 PolarHBondContact O-N 3.09Å; L105-V107 HydrophobicContact CD1-CG2 4.06Å; L105-V107 HydrophobicContact CD2-CG2 3.96Å; L105-V107 HydrophobicContact CG-CG2 3.79Å; L105-R167 HydrophobicContact CD1-CB 4.29Å; L105-C195 HydrophobicContact CD2-CB 4Å
106	Y	98.4	Very high	95.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.9	171.8	-162.8	-73.1	0	0	0	109.4	I82 N84 Y93 L96 P103 E108 R167 F168 H169	I82-Y106 HydrophobicContact CB-CD2 3.71Å; I82-Y106 HydrophobicContact CB-CE2 3.84Å; I82-Y106 HydrophobicContact CB-CG 4.41Å; I82-Y106 HydrophobicContact CD1-CD2 4.29Å; I82-Y106 HydrophobicContact CD1-CE2 4.16Å; I82-Y106 HydrophobicContact CG1-CD2 4.45Å; I82-Y106 HydrophobicContact CG2-CD2 3.93Å; I82-Y106 HydrophobicContact CG2-CE2 3.52Å; I82-Y106 CarbonylContact O-C 3.59Å; I82-Y106 WeakPolarHBondContact O-CA 3.3Å; N84-Y106 HydrophobicContact CB-CE1 4.46Å; Y93-Y106 HydrophobicContact CD2-CD1 4.04Å; Y93-Y106 AromaticContact CD2-CD2 3.86Å; Y93-Y106 HydrophobicContact CD2-CD2 3.86Å; Y93-Y106 HydrophobicContact CD2-CE2 4.47Å; Y93-Y106 AromaticContact CD2-CG 3.62Å; Y93-Y106 HydrophobicContact CD2-CG 3.62Å; Y93-Y106 HydrophobicContact CE2-CG 4.41Å; Y93-Y106 HydrophobicContact CG-CD1 4.27Å; Y93-Y106 HydrophobicContact CG-CG 4.29Å; L96-Y106 HydrophobicContact CD1-CD2 4.16Å; L96-Y106 HydrophobicContact CD1-CE2 3.7Å; P103-Y106 HydrophobicContact CG-CD2 3.83Å; P103-Y106 HydrophobicContact CG-CG 4.41Å; Y106-E108 HydrophobicContact CD1-CG 4.05Å; Y106-E108 HydrophobicContact CE1-CG 3.55Å; Y106-R167 PolarHBondContact N-O 3.46Å; Y106-R167 VanDerWaalsContact N-O 3.1Å; Y106-F168 AromaticContact CD1-CD2 3.67Å; Y106-F168 HydrophobicContact CD1-CD2 3.67Å; Y106-F168 AromaticContact CD1-CE2 3.63Å; Y106-F168 HydrophobicContact CD1-CE2 3.63Å; Y106-F168 HydrophobicContact CE1-CE2 4.07Å; Y106-F168 HydrophobicContact CG-CD2 4.27Å; Y106-F168 CarbonylContact O-C 3.58Å; Y106-F168 WeakPolarHBondContact O-CA 3.15Å; Y106-H169 PolarHBondContact O-N 3.05Å
107	V	98.3	Very high	95.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134.1	-178.6	-170.5	0	0	0	0	109.3	I82 V83 N84 L105 L109 H169 L171 L186 A193	I82-V107 PolarHBondContact O-N 3.38Å; V83-V107 CarbonylContact C-O 3.58Å; V83-V107 WeakPolarHBondContact CA-O 3.38Å; V83-V107 HydrophobicContact CG1-CB 4.49Å; V83-V107 HydrophobicContact CG2-CB 4.31Å; V83-V107 HydrophobicContact CG2-CG2 4.48Å; N84-V107 PolarHBondContact N-O 3.2Å; L105-V107 HydrophobicContact CD1-CG2 4.06Å; L105-V107 HydrophobicContact CD2-CG2 3.96Å; L105-V107 HydrophobicContact CG-CG2 3.79Å; V107-L109 HydrophobicContact CG1-CG 4.35Å; V107-H169 CarbonylContact C-O 3.53Å; V107-H169 WeakPolarHBondContact CA-O 3.41Å; V107-H169 HydrophobicContact CG1-CB 4.29Å; V107-H169 HydrophobicContact CG2-CB 4.32Å; V107-L171 HydrophobicContact CG1-CD1 3.83Å; V107-L171 HydrophobicContact CG1-CG 4.43Å; V107-L186 HydrophobicContact CB-CD1 4.31Å; V107-L186 HydrophobicContact CG1-CD1 3.95Å; V107-L186 HydrophobicContact CG2-CD1 4.21Å; V107-A193 HydrophobicContact CG1-CB 4.14Å; V107-A193 HydrophobicContact CG2-CB 3.57Å
108	E	98.5	Very high	95.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	134.7	168.5	-64.9	-175.9	157	0	0	110.1	N84 A87 Y106 K118 F168 H169 L170 L171	N84-E108 HydrophobicContact CB-CG 4.15Å; N84-E108 WeakPolarHBondContact O-CA 3.37Å; A87-E108 HydrophobicContact CB-CB 3.64Å; A87-E108 HydrophobicContact CB-CG 3.79Å; Y106-E108 HydrophobicContact CD1-CG 4.05Å; Y106-E108 HydrophobicContact CE1-CG 3.55Å; E108-K118 IonicContact OE1-NZ 3.76Å; E108-K118 PolarHBondContact OE1-NZ 2.92Å; E108-K118 VanDerWaalsContact OE1-NZ 3.11Å; E108-K118 WeakPolarHBondContact OE2-CD 3.49Å; E108-K118 WeakPolarHBondContact OE2-CE 3.38Å; E108-K118 IonicContact OE2-NZ 2.68Å; E108-K118 PolarHBondContact OE2-NZ 2.84Å; E108-F168 HydrophobicContact CG-CE2 3.83Å; E108-F168 HydrophobicContact CG-CZ 4.35Å; E108-H169 PolarHBondContact N-O 2.71Å; E108-L170 HydrophobicContact CB-CD2 3.74Å; E108-L170 HydrophobicContact CG-CD2 4.22Å; E108-L170 WeakPolarHBondContact OE2-CD2 3.33Å; E108-L171 PolarHBondContact O-N 3.45Å
109	L	98.3	Very high	95.6	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.6	-179.8	-69.9	158.5	0	0	0	109.6	V83 N84 L85 G86 A87 V107 L171 F173 L182	V83-L109 HydrophobicContact CG1-CD1 3.59Å; N84-L109 PolarHBondContact O-N 3.31Å; L85-L109 HydrophobicContact CD2-CD1 3.64Å; G86-L109 VanDerWaalsContact CA-O 3.27Å; G86-L109 WeakPolarHBondContact CA-O 3.44Å; G86-L109 PolarHBondContact N-O 2.8Å; A87-L109 PolarHBondContact N-O 2.79Å; V107-L109 HydrophobicContact CG1-CG 4.35Å; L109-L171 VanDerWaalsContact CA-O 3.29Å; L109-L171 WeakPolarHBondContact CA-O 3.15Å; L109-L171 HydrophobicContact CD2-CB 3.44Å; L109-L171 VanDerWaalsContact CD2-CB 3.44Å; L109-L171 HydrophobicContact CD2-CD1 4.25Å; L109-L171 HydrophobicContact CD2-CG 4.49Å; L109-L171 HydrophobicContact CG-CB 4.42Å; L109-F173 HydrophobicContact CD2-CB 3.85Å; L109-L182 HydrophobicContact CD1-CD1 3.69Å; L109-L182 HydrophobicContact CD2-CD1 4.12Å
110	D	97.5	Very high	95.7	Very high	15 Å²	15	34 Å²	34	8%	0.08	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	-179.3	172.6	-147	-63.8	0	0	0	110.9	G86 A87 G88 N114 I115 L171 S172 F173	G86-D110 WeakPolarHBondContact CA-OD2 3.4Å; A87-D110 PolarHBondContact N-OD2 3Å; G88-D110 VanDerWaalsContact CA-OD2 3.27Å; G88-D110 WeakPolarHBondContact CA-OD2 3.36Å; G88-D110 PolarHBondContact N-OD2 3.36Å; D110-N114 HydrophobicContact CB-CB 4Å; D110-N114 PolarHBondContact OD1-ND2 3.17Å; D110-I115 HydrophobicContact CB-CD1 3.81Å; D110-I115 HydrophobicContact CB-CG1 3.88Å; D110-L171 PolarHBondContact N-O 3.43Å; D110-S172 CarbonylContact O-C 3.58Å; D110-S172 WeakPolarHBondContact O-CA 3.42Å; D110-F173 CarbonylContact C-O 3.52Å; D110-F173 PolarHBondContact O-N 2.86Å
111	L	95.2	Very high	95.9	Very high	16 Å²	16	26.8 Å²	26.8	8%	0.084	14%	0.142	C	C	.	.			trans	-61.4	151.6	170.3	-62.9	177.9	0	0	0	111.6	D12 Q16 S113 N114 I115 D174	D12-L111 HydrophobicContact CB-CD1 3.96Å; Q16-L111 HydrophobicContact CG-CD1 4.25Å; L111-S113 VanDerWaalsContact C-N 3.28Å; L111-S113 PolarHBondContact O-N 3.15Å; L111-S113 VanDerWaalsContact O-N 3.14Å; L111-N114 PolarHBondContact O-N 3.39Å; L111-N114 VanDerWaalsContact O-N 3.15Å; L111-I115 PolarHBondContact O-N 2.77Å; L111-I115 VanDerWaalsContact O-N 3.15Å; L111-D174 HydrophobicContact CD2-CB 4.11Å
112	P	93	Very high	96	Very high	37 Å²	37	24.6 Å²	24.6	24%	0.24	13%	0.132	C	C	.	.	H	α-helix	trans	-51.7	-40.6	-175	-29.2	34.5	0	0	0	115.2	I115 Q116 L159	P112-I115 PolarHBondContact O-N 2.82Å; P112-Q116 VanDerWaalsContact O-CB 3.25Å; P112-Q116 WeakPolarHBondContact O-CB 3.36Å; P112-Q116 PolarHBondContact O-N 3.29Å; P112-L159 HydrophobicContact CB-CD1 4.06Å
113	S	93.1	Very high	95.9	Very high	51 Å²	51	25.4 Å²	25.4	36%	0.357	13%	0.132	S	C	.	.	H	α-helix	trans	-60.7	-50.1	179.8	-170.6	0	0	0	0	112	L111 I115 Q116 Q117	L111-S113 VanDerWaalsContact C-N 3.28Å; L111-S113 PolarHBondContact O-N 3.15Å; L111-S113 VanDerWaalsContact O-N 3.14Å; S113-I115 PolarHBondContact O-N 2.82Å; S113-Q116 PolarHBondContact O-N 3Å; S113-Q117 WeakPolarHBondContact O-CB 3.44Å; S113-Q117 PolarHBondContact O-N 3.41Å
114	N	95.6	Very high	95.7	Very high	7 Å²	7	32.3 Å²	32.3	4%	0.037	16%	0.157	C	C	.	.	H	α-helix	trans	-62.1	-45.2	179.5	-74	-15.5	0	0	0	111.5	D110 L111 Q117 K118	D110-N114 HydrophobicContact CB-CB 4Å; D110-N114 PolarHBondContact OD1-ND2 3.17Å; L111-N114 PolarHBondContact O-N 3.39Å; L111-N114 VanDerWaalsContact O-N 3.15Å; N114-Q117 PolarHBondContact O-N 2.89Å; N114-K118 WeakPolarHBondContact O-CB 3.29Å; N114-K118 PolarHBondContact O-N 3.49Å
115	I	95.6	Very high	95.6	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-62.2	-44.9	177.2	-67.5	-60.3	0	0	0	111.4	D110 L111 P112 S113 K118 A119 L159 Y161 L170 L171	D110-I115 HydrophobicContact CB-CD1 3.81Å; D110-I115 HydrophobicContact CB-CG1 3.88Å; L111-I115 PolarHBondContact O-N 2.77Å; L111-I115 VanDerWaalsContact O-N 3.15Å; P112-I115 PolarHBondContact O-N 2.82Å; S113-I115 PolarHBondContact O-N 2.82Å; I115-K118 PolarHBondContact O-N 2.86Å; I115-A119 VanDerWaalsContact O-CB 3.28Å; I115-A119 WeakPolarHBondContact O-CB 3.38Å; I115-A119 PolarHBondContact O-N 2.82Å; I115-L159 HydrophobicContact CG2-CB 4.49Å; I115-Y161 HydrophobicContact CG2-CD2 3.79Å; I115-Y161 HydrophobicContact CG2-CE2 3.87Å; I115-L170 HydrophobicContact CD1-CB 4.21Å; I115-L170 HydrophobicContact CG2-CB 3.94Å; I115-L171 WeakPolarHBondContact CD1-O 3.08Å; I115-L171 WeakPolarHBondContact CG1-O 3.5Å
116	Q	94.4	Very high	95.3	Very high	73 Å²	73	37.3 Å²	37.3	34%	0.341	17%	0.174	S	C	.	.	H	α-helix	trans	-63.5	-46.5	179	-165.7	-171.9	1.8	0	0	111.3	P112 S113 K118 A119 M120 L159	P112-Q116 VanDerWaalsContact O-CB 3.25Å; P112-Q116 WeakPolarHBondContact O-CB 3.36Å; P112-Q116 PolarHBondContact O-N 3.29Å; S113-Q116 PolarHBondContact O-N 3Å; Q116-K118 PolarHBondContact O-N 2.98Å; Q116-A119 PolarHBondContact O-N 3.47Å; Q116-M120 HydrophobicContact CB-CE 4.44Å; Q116-M120 HydrophobicContact CG-CE 3.66Å; Q116-M120 WeakPolarHBondContact O-CB 3.49Å; Q116-M120 WeakPolarHBondContact O-CG 3.31Å; Q116-M120 PolarHBondContact O-N 2.97Å; Q116-L159 HydrophobicContact CB-CD1 4.08Å
117	Q	94.7	Very high	94.9	Very high	78 Å²	78	38 Å²	38	36%	0.364	18%	0.178	S	C	.	.	H	α-helix	trans	-61	-44.9	177.9	-177.8	173.8	-7.8	0	0	111.6	S113 N114 M120 T121	S113-Q117 WeakPolarHBondContact O-CB 3.44Å; S113-Q117 PolarHBondContact O-N 3.41Å; N114-Q117 PolarHBondContact O-N 2.89Å; Q117-M120 PolarHBondContact O-N 3.21Å; Q117-T121 PolarHBondContact O-N 3.11Å; Q117-T121 PolarHBondContact O-OG1 3.31Å; Q117-T121 VanDerWaalsContact O-OG1 3.12Å
118	K	96.7	Very high	94.4	Very high	1 Å²	1	38.1 Å²	38.1	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-63.7	-47.5	177.6	-175	158.7	-165.3	176.8	0	112.4	F43 G88 D90 E108 N114 I115 Q116 M120 T121 I122 L170	F43-K118 HydrophobicContact CE1-CG 3.89Å; G88-K118 WeakPolarHBondContact O-CD 3.23Å; G88-K118 PolarHBondContact O-NZ 3.29Å; D90-K118 WeakPolarHBondContact O-CE 3.27Å; D90-K118 PolarHBondContact O-NZ 2.89Å; E108-K118 IonicContact OE1-NZ 3.76Å; E108-K118 PolarHBondContact OE1-NZ 2.92Å; E108-K118 VanDerWaalsContact OE1-NZ 3.11Å; E108-K118 WeakPolarHBondContact OE2-CD 3.49Å; E108-K118 WeakPolarHBondContact OE2-CE 3.38Å; E108-K118 IonicContact OE2-NZ 2.68Å; E108-K118 PolarHBondContact OE2-NZ 2.84Å; N114-K118 WeakPolarHBondContact O-CB 3.29Å; N114-K118 PolarHBondContact O-N 3.49Å; I115-K118 PolarHBondContact O-N 2.86Å; Q116-K118 PolarHBondContact O-N 2.98Å; K118-M120 VanDerWaalsContact C-N 3.34Å; K118-M120 PolarHBondContact O-N 3.42Å; K118-T121 PolarHBondContact O-N 2.8Å; K118-I122 HydrophobicContact CG-CD1 3.78Å; K118-I122 WeakPolarHBondContact O-CD1 3.15Å; K118-I122 WeakPolarHBondContact O-CG1 3.48Å; K118-I122 PolarHBondContact O-N 3.43Å; K118-L170 HydrophobicContact CB-CD1 4.35Å; K118-L170 HydrophobicContact CD-CD2 4.35Å; K118-L170 HydrophobicContact CG-CD1 4.09Å
119	A	95.2	Very high	93.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.9	-47	177.2	0	0	0	0	0	111.5	I115 Q116 T121 I122 Q123 Y161 L170	I115-A119 VanDerWaalsContact O-CB 3.28Å; I115-A119 WeakPolarHBondContact O-CB 3.38Å; I115-A119 PolarHBondContact O-N 2.82Å; Q116-A119 PolarHBondContact O-N 3.47Å; A119-T121 VanDerWaalsContact C-N 3.35Å; A119-T121 PolarHBondContact O-N 3.49Å; A119-I122 PolarHBondContact O-N 2.9Å; A119-Q123 WeakPolarHBondContact O-CB 3.05Å; A119-Q123 VanDerWaalsContact O-CG 3.31Å; A119-Q123 WeakPolarHBondContact O-CG 3.31Å; A119-Q123 PolarHBondContact O-N 2.9Å; A119-Y161 HydrophobicContact CB-CD1 3.56Å; A119-Y161 HydrophobicContact CB-CD2 3.72Å; A119-Y161 HydrophobicContact CB-CE1 3.65Å; A119-Y161 HydrophobicContact CB-CE2 3.82Å; A119-Y161 HydrophobicContact CB-CG 3.6Å; A119-L170 HydrophobicContact CB-CD1 3.86Å
120	M	95.1	Very high	91.9	Very high	62 Å²	62	44.9 Å²	44.9	31%	0.305	22%	0.224	S	C	.	.	H	α-helix	trans	-59.4	-43.8	176.7	-77	-167.5	-85.9	0	0	112	Q116 Q117 K118 Q123 R124	Q116-M120 HydrophobicContact CB-CE 4.44Å; Q116-M120 HydrophobicContact CG-CE 3.66Å; Q116-M120 WeakPolarHBondContact O-CB 3.49Å; Q116-M120 WeakPolarHBondContact O-CG 3.31Å; Q116-M120 PolarHBondContact O-N 2.97Å; Q117-M120 PolarHBondContact O-N 3.21Å; K118-M120 VanDerWaalsContact C-N 3.34Å; K118-M120 PolarHBondContact O-N 3.42Å; M120-Q123 PolarHBondContact O-N 3.28Å; M120-R124 VanDerWaalsContact O-CB 3.27Å; M120-R124 WeakPolarHBondContact O-CB 3.44Å; M120-R124 VanDerWaalsContact O-CG 3.23Å; M120-R124 WeakPolarHBondContact O-CG 3.47Å; M120-R124 PolarHBondContact O-N 2.98Å
121	T	96	Very high	89.8	Confident	25 Å²	25	49 Å²	49	15%	0.153	25%	0.25	C	C	.	.	H	α-helix	trans	-62.9	-46.4	177.6	-66.1	0	0	0	0	111.7	Y42 F43 Q117 K118 A119 Q123 R125 L127	Y42-T121 VanDerWaalsContact O-CG2 3.25Å; Y42-T121 WeakPolarHBondContact O-CG2 3.36Å; F43-T121 HydrophobicContact CD1-CG2 3.72Å; F43-T121 HydrophobicContact CE1-CG2 3.52Å; F43-T121 HydrophobicContact CG-CG2 4.37Å; F43-T121 HydrophobicContact CZ-CG2 4.06Å; Q117-T121 PolarHBondContact O-N 3.11Å; Q117-T121 PolarHBondContact O-OG1 3.31Å; Q117-T121 VanDerWaalsContact O-OG1 3.12Å; K118-T121 PolarHBondContact O-N 2.8Å; A119-T121 VanDerWaalsContact C-N 3.35Å; A119-T121 PolarHBondContact O-N 3.49Å; T121-Q123 VanDerWaalsContact C-N 3.34Å; T121-Q123 PolarHBondContact O-N 3.39Å; T121-R125 HydrophobicContact CG2-CG 4.44Å; T121-R125 VanDerWaalsContact O-CB 3.29Å; T121-R125 WeakPolarHBondContact O-CB 3.3Å; T121-R125 WeakPolarHBondContact O-CG 3.29Å; T121-R125 PolarHBondContact O-N 2.8Å; T121-L127 HydrophobicContact CG2-CD1 4.45Å
122	I	94.9	Very high	87.6	Confident	3 Å²	3	56.2 Å²	56.2	2%	0.015	29%	0.288	C	S	.	.	H	α-helix	trans	-58.9	-46.6	178.6	-71.6	159.8	0	0	0	111.2	F43 F94 K118 A119 K126 L127 L128 F163 F168 L170	F43-I122 HydrophobicContact CE1-CG1 4.48Å; F43-I122 HydrophobicContact CZ-CG1 4.17Å; F94-I122 HydrophobicContact CE1-CG1 4.43Å; F94-I122 HydrophobicContact CZ-CD1 4.08Å; F94-I122 HydrophobicContact CZ-CG1 3.86Å; K118-I122 HydrophobicContact CG-CD1 3.78Å; K118-I122 WeakPolarHBondContact O-CD1 3.15Å; K118-I122 WeakPolarHBondContact O-CG1 3.48Å; K118-I122 PolarHBondContact O-N 3.43Å; A119-I122 PolarHBondContact O-N 2.9Å; I122-K126 WeakPolarHBondContact O-CA 3.39Å; I122-K126 PolarHBondContact O-N 2.8Å; I122-L127 HydrophobicContact CG1-CD1 4.21Å; I122-L127 PolarHBondContact O-N 3.43Å; I122-L127 VanDerWaalsContact O-N 3.07Å; I122-L128 HydrophobicContact CG2-CD1 3.73Å; I122-L128 HydrophobicContact CG2-CG 3.85Å; I122-F163 HydrophobicContact CB-CE1 4.34Å; I122-F163 HydrophobicContact CB-CZ 4.2Å; I122-F163 HydrophobicContact CD1-CE2 4.44Å; I122-F163 HydrophobicContact CD1-CZ 4.38Å; I122-F163 HydrophobicContact CG2-CD1 4.11Å; I122-F163 HydrophobicContact CG2-CE1 3.53Å; I122-F163 HydrophobicContact CG2-CZ 3.8Å; I122-F168 HydrophobicContact CD1-CE1 3.85Å; I122-L170 HydrophobicContact CD1-CD1 3.95Å
123	Q	92.3	Very high	85.2	Confident	67 Å²	67	57.6 Å²	57.6	31%	0.313	30%	0.303	S	S	.	.	H	α-helix	trans	-67.2	-51.5	-179.7	-71.1	175.5	-31	0	0	111.8	A119 M120 T121 R125 K126 T149 F163	A119-Q123 WeakPolarHBondContact O-CB 3.05Å; A119-Q123 VanDerWaalsContact O-CG 3.31Å; A119-Q123 WeakPolarHBondContact O-CG 3.31Å; A119-Q123 PolarHBondContact O-N 2.9Å; M120-Q123 PolarHBondContact O-N 3.28Å; T121-Q123 VanDerWaalsContact C-N 3.34Å; T121-Q123 PolarHBondContact O-N 3.39Å; Q123-R125 VanDerWaalsContact C-N 3.3Å; Q123-R125 PolarHBondContact O-N 3.32Å; Q123-K126 PolarHBondContact O-N 2.9Å; Q123-T149 VanDerWaalsContact NE2-CB 3.29Å; Q123-T149 PolarHBondContact NE2-OG1 2.91Å; Q123-F163 HydrophobicContact CG-CE1 4.11Å
124	R	92.9	Very high	82.6	Confident	151 Å²	151	63 Å²	63	57%	0.57	33%	0.327	S	S	*	.	H	α-helix	trans	-62.2	-38.1	-177.8	-73.9	176.6	-179.8	178.3	1.5	112.4	M120	M120-R124 VanDerWaalsContact O-CB 3.27Å; M120-R124 WeakPolarHBondContact O-CB 3.44Å; M120-R124 VanDerWaalsContact O-CG 3.23Å; M120-R124 WeakPolarHBondContact O-CG 3.47Å; M120-R124 PolarHBondContact O-N 2.98Å
125	R	93.3	Very high	80.2	Confident	113 Å²	113	66.4 Å²	66.4	43%	0.426	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	0.5	-179.4	-58.4	-62.9	-170.1	-173.8	-1.1	113.2	Y42 T121 Q123 L127 D139	Y42-R125 HydrophobicContact CD1-CB 4.24Å; Y42-R125 HydrophobicContact CD1-CG 3.77Å; Y42-R125 HydrophobicContact CE1-CG 4.42Å; Y42-R125 HydrophobicContact CG-CB 4.43Å; Y42-R125 HydrophobicContact CG-CG 4.17Å; T121-R125 HydrophobicContact CG2-CG 4.44Å; T121-R125 VanDerWaalsContact O-CB 3.29Å; T121-R125 WeakPolarHBondContact O-CB 3.3Å; T121-R125 WeakPolarHBondContact O-CG 3.29Å; T121-R125 PolarHBondContact O-N 2.8Å; Q123-R125 VanDerWaalsContact C-N 3.3Å; Q123-R125 PolarHBondContact O-N 3.32Å; R125-L127 HydrophobicContact CB-CD2 3.53Å; R125-L127 HydrophobicContact CB-CG 3.83Å; R125-L127 PolarHBondContact O-N 2.91Å; R125-D139 IonicContact NH1-OD1 2.82Å
126	K	91.5	Very high	77.6	Confident	82 Å²	82	69.7 Å²	69.7	36%	0.357	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	38	176.8	-65.2	167.2	149.3	-108.7	0	112.9	I122 Q123 L128 E129	I122-K126 WeakPolarHBondContact O-CA 3.39Å; I122-K126 PolarHBondContact O-N 2.8Å; Q123-K126 PolarHBondContact O-N 2.9Å; K126-L128 PolarHBondContact O-N 3.45Å; K126-E129 HydrophobicContact CB-CB 4.32Å; K126-E129 VanDerWaalsContact CB-CD 3.49Å; K126-E129 HydrophobicContact CB-CG 3.91Å; K126-E129 WeakPolarHBondContact CD-OE2 3.41Å; K126-E129 WeakPolarHBondContact CE-OE1 3.37Å; K126-E129 HydrophobicContact CG-CG 4.41Å; K126-E129 VanDerWaalsContact CG-OE1 3.31Å; K126-E129 WeakPolarHBondContact CG-OE1 3.41Å; K126-E129 IonicContact NZ-OE1 3.19Å; K126-E129 PolarHBondContact NZ-OE1 3.04Å; K126-E129 IonicContact NZ-OE2 3.46Å; K126-E129 PolarHBondContact NZ-OE2 3.42Å; K126-E129 PolarHBondContact O-N 3.07Å
127	L	91.7	Very high	75.5	Confident	13 Å²	13	76.1 Å²	76.1	7%	0.068	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.2	-168.2	-58.7	-177	0	0	0	114.2	Y39 Y42 F43 F94 T121 I122 R125	Y39-L127 HydrophobicContact CD1-CB 4.39Å; Y39-L127 HydrophobicContact CD1-CD1 4.36Å; Y39-L127 HydrophobicContact CD1-CD2 4.23Å; Y39-L127 HydrophobicContact CE1-CB 4.4Å; Y42-L127 HydrophobicContact CD2-CD1 4.37Å; Y42-L127 HydrophobicContact CD2-CD2 3.51Å; Y42-L127 HydrophobicContact CE2-CD2 3.73Å; Y42-L127 HydrophobicContact CG-CD2 4.06Å; F43-L127 HydrophobicContact CE2-CD1 3.89Å; F43-L127 HydrophobicContact CZ-CD1 3.67Å; F94-L127 HydrophobicContact CD1-CB 4.49Å; F94-L127 HydrophobicContact CE1-CB 3.86Å; F94-L127 HydrophobicContact CE1-CD1 4.31Å; F94-L127 HydrophobicContact CZ-CB 4.48Å; F94-L127 HydrophobicContact CZ-CD1 4.14Å; T121-L127 HydrophobicContact CG2-CD1 4.45Å; I122-L127 HydrophobicContact CG1-CD1 4.21Å; I122-L127 PolarHBondContact O-N 3.43Å; I122-L127 VanDerWaalsContact O-N 3.07Å; R125-L127 HydrophobicContact CB-CD2 3.53Å; R125-L127 HydrophobicContact CB-CG 3.83Å; R125-L127 PolarHBondContact O-N 2.91Å
128	L	87.3	Confident	73.2	Confident	4 Å²	4	78.2 Å²	78.2	2%	0.021	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	2.8	-179.6	-58.4	179.2	0	0	0	113.6	Y93 F94 K97 I122 K126 F163 F168	Y93-L128 HydrophobicContact CD1-CD2 4.23Å; Y93-L128 HydrophobicContact CE1-CD2 3.6Å; F94-L128 HydrophobicContact CD1-CD2 3.89Å; F94-L128 HydrophobicContact CE1-CD2 3.61Å; F94-L128 HydrophobicContact CE1-CG 4.3Å; K97-L128 HydrophobicContact CD-CD2 4.32Å; I122-L128 HydrophobicContact CG2-CD1 3.73Å; I122-L128 HydrophobicContact CG2-CG 3.85Å; K126-L128 PolarHBondContact O-N 3.45Å; L128-F163 HydrophobicContact CD1-CB 3.53Å; L128-F163 HydrophobicContact CD1-CD1 3.58Å; L128-F163 HydrophobicContact CD1-CD2 4.18Å; L128-F163 HydrophobicContact CD1-CE1 4.32Å; L128-F163 HydrophobicContact CD1-CG 3.49Å; L128-F163 VanDerWaalsContact CD1-CG 3.49Å; L128-F168 HydrophobicContact CD1-CD1 3.7Å; L128-F168 HydrophobicContact CD1-CE1 4.28Å
129	E	81.7	Confident	71	Confident	62 Å²	62	85 Å²	85	29%	0.29	45%	0.448	S	S	.	.	S	Bend	trans	-69.9	153.7	168.1	-67.9	-177.1	-175.4	0	0	110.1	K126 T131	K126-E129 HydrophobicContact CB-CB 4.32Å; K126-E129 VanDerWaalsContact CB-CD 3.49Å; K126-E129 HydrophobicContact CB-CG 3.91Å; K126-E129 WeakPolarHBondContact CD-OE2 3.41Å; K126-E129 WeakPolarHBondContact CE-OE1 3.37Å; K126-E129 HydrophobicContact CG-CG 4.41Å; K126-E129 VanDerWaalsContact CG-OE1 3.31Å; K126-E129 WeakPolarHBondContact CG-OE1 3.41Å; K126-E129 IonicContact NZ-OE1 3.19Å; K126-E129 PolarHBondContact NZ-OE1 3.04Å; K126-E129 IonicContact NZ-OE2 3.46Å; K126-E129 PolarHBondContact NZ-OE2 3.42Å; K126-E129 PolarHBondContact O-N 3.07Å; E129-T131 PolarHBondContact O-N 3.43Å
130	A	61.6	Low	68.5	Low	81 Å²	81	92.4 Å²	92.4	67%	0.669	49%	0.488	S	S	*	.			trans	-62.3	133	175.9	0	0	0	0	0	109.8	D132	A130-D132 PolarHBondContact O-N 2.97Å
131	T	54.4	Low	66.1	Low	100 Å²	100	93.3 Å²	93.3	61%	0.613	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-0.6	-167.6	-0.4	0	0	0	0	116	E129 A133	E129-T131 PolarHBondContact O-N 3.43Å; T131-A133 PolarHBondContact O-N 2.86Å
132	D	48	Very low	63.2	Low	168 Å²	168	98.6 Å²	98.6	90%	0.898	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-6.4	-179.5	-66.3	-26.6	0	0	0	113.3	A130	A130-D132 PolarHBondContact O-N 2.97Å
133	A	42.8	Very low	60.4	Low	67 Å²	67	103.1 Å²	103.1	55%	0.554	55%	0.55	S	S	*	.	S	Bend	trans	-98.4	115.4	168	0	0	0	0	0	110.4	T131	T131-A133 PolarHBondContact O-N 2.86Å
134	L	38.7	Very low	57.6	Low	164 Å²	164	106.1 Å²	106.1	86%	0.859	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-46.6	132.6	165.7	-82.9	153.9	0	0	0	109.8
135	P	44.8	Very low	55	Low	79 Å²	79	105 Å²	105	51%	0.513	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-60.3	134.3	177	21.8	-29.8	0	0	0	109.6	K137	P135-K137 PolarHBondContact O-N 2.83Å
136	P	41.7	Very low	52.3	Low	70 Å²	70	106.3 Å²	106.3	46%	0.455	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-61.9	136.3	-179.9	-15.8	27.4	0	0	0	110.2	D138 L141	P136-D138 VanDerWaalsContact C-N 3.3Å; P136-D138 PolarHBondContact O-N 2.85Å; P136-L141 HydrophobicContact CB-CD1 4.03Å; P136-L141 HydrophobicContact CG-CD1 4.02Å; P136-L141 HydrophobicContact CG-CD2 4.3Å
137	K	49.6	Very low	50.1	Low	208 Å²	208	105.6 Å²	105.6	90%	0.904	58%	0.584	S	S	*	*			trans	-84.3	6.1	179.1	-80.1	-172.2	175.9	-179	0	114.4	P135	P135-K137 PolarHBondContact O-N 2.83Å
138	D	47.5	Very low	48.2	Very low	123 Å²	123	111.8 Å²	111.8	66%	0.658	61%	0.611	S	S	*	*			trans	-110	129.5	-176.1	-81.6	-37.5	0	0	0	113	P136 N140	P136-D138 VanDerWaalsContact C-N 3.3Å; P136-D138 PolarHBondContact O-N 2.85Å; D138-N140 PolarHBondContact O-N 2.71Å; D138-N140 VanDerWaalsContact O-N 3.09Å
139	D	50.2	Low	46.6	Very low	142 Å²	142	112.5 Å²	112.5	76%	0.759	62%	0.615	S	S	*	*	S	Bend	trans	-72.8	13.2	175.3	-84.6	-27.2	0	0	0	113.9	R125	R125-D139 IonicContact NH1-OD1 2.82Å
140	N	43.4	Very low	45.8	Very low	157 Å²	157	112.8 Å²	112.8	84%	0.84	62%	0.624	S	S	*	*			trans	-109	40.3	178.5	-80.2	-23.5	0	0	0	113.3	D138 N142	D138-N140 PolarHBondContact O-N 2.71Å; D138-N140 VanDerWaalsContact O-N 3.09Å; N140-N142 PolarHBondContact O-N 3.46Å
141	L	43.4	Very low	46	Very low	80 Å²	80	112.7 Å²	112.7	42%	0.419	62%	0.615	S	S	.	*			trans	-86.3	99.6	173.5	-74.2	157.6	0	0	0	110.4	P136	P136-L141 HydrophobicContact CB-CD1 4.03Å; P136-L141 HydrophobicContact CG-CD1 4.02Å; P136-L141 HydrophobicContact CG-CD2 4.3Å
142	N	36.1	Very low	46.6	Very low	137 Å²	137	110 Å²	110	73%	0.733	60%	0.598	S	S	*	*			trans	-57.2	139.2	159.3	-79.6	-25	0	0	0	108.9	N140 I144	N140-N142 PolarHBondContact O-N 3.46Å; N142-I144 VanDerWaalsContact C-N 3.31Å; N142-I144 PolarHBondContact O-N 3.06Å
143	P	35.4	Very low	47.3	Very low	97 Å²	97	106.7 Å²	106.7	63%	0.63	58%	0.58	S	S	*	*			trans	-67.5	90.9	177.4	27.5	-32.5	0	0	0	109.3	I145	P143-I145 PolarHBondContact O-N 3.3Å
144	I	33.6	Very low	48.6	Very low	131 Å²	131	103.9 Å²	103.9	67%	0.672	56%	0.556	S	S	*	*			trans	-76.2	101.8	166	-57.6	177.8	0	0	0	106	N142 N146	N142-I144 VanDerWaalsContact C-N 3.31Å; N142-I144 PolarHBondContact O-N 3.06Å; I144-N146 HydrophobicContact CG2-CB 4Å; I144-N146 WeakPolarHBondContact CG2-ND2 3.44Å; I144-N146 PolarHBondContact O-N 3.33Å
145	I	38.6	Very low	49.6	Very low	127 Å²	127	101.1 Å²	101.1	65%	0.651	54%	0.542	S	S	*	.			trans	-67.9	79.4	172.9	-54.9	171.6	0	0	0	107.8	P143	P143-I145 PolarHBondContact O-N 3.3Å
146	N	35.3	Very low	50.6	Low	141 Å²	141	100.1 Å²	100.1	75%	0.754	53%	0.531	S	S	*	.			trans	-116.2	16.4	177.2	-89.9	-5.6	0	0	0	113.7	I144	I144-N146 HydrophobicContact CG2-CB 4Å; I144-N146 WeakPolarHBondContact CG2-ND2 3.44Å; I144-N146 PolarHBondContact O-N 3.33Å
147	Q	46.8	Very low	52.2	Low	67 Å²	67	103.2 Å²	103.2	31%	0.313	54%	0.543	S	S	.	.	S	Bend	trans	-115	149.5	150.4	-71	-173.7	-3.7	0	0	107.5	T149	Q147-T149 PolarHBondContact O-N 3.4Å
148	K	50.7	Low	53.9	Low	143 Å²	143	93.9 Å²	93.9	62%	0.622	50%	0.503	S	S	*	.			trans	-68.6	59.9	175.7	-71.3	167.6	173.5	175.7	0	110.9	S150 E164	K148-S150 VanDerWaalsContact C-N 3.34Å; K148-S150 PolarHBondContact O-N 3.19Å; K148-S150 VanDerWaalsContact O-N 3.14Å; K148-E164 WeakPolarHBondContact CD-OE1 3.33Å; K148-E164 IonicContact NZ-OE1 3.26Å; K148-E164 PolarHBondContact NZ-OE1 3.25Å
149	T	54.4	Low	55.9	Low	18 Å²	18	89.2 Å²	89.2	11%	0.11	48%	0.478	C	S	.	.			trans	-76.3	96.8	160	-47.1	0	0	0	0	106.9	Q123 Q147 Y161 V162 F163	Q123-T149 VanDerWaalsContact NE2-CB 3.29Å; Q123-T149 PolarHBondContact NE2-OG1 2.91Å; Q147-T149 PolarHBondContact O-N 3.4Å; T149-Y161 HydrophobicContact CG2-CD1 3.85Å; T149-Y161 HydrophobicContact CG2-CG 4.47Å; T149-V162 WeakPolarHBondContact CA-O 3.14Å; T149-F163 HydrophobicContact CG2-CE1 4.22Å; T149-F163 HydrophobicContact CG2-CZ 4.32Å
150	S	63.9	Low	58	Low	68 Å²	68	82.7 Å²	82.7	48%	0.476	44%	0.443	S	S	.	.			trans	-83	129.2	167.1	-61.4	0	0	0	0	108.2	K148 H160	K148-S150 VanDerWaalsContact C-N 3.34Å; K148-S150 PolarHBondContact O-N 3.19Å; K148-S150 VanDerWaalsContact O-N 3.14Å; S150-H160 VanDerWaalsContact O-O 3.06Å
151	V	65.8	Low	60.3	Low	80 Å²	80	76.1 Å²	76.1	49%	0.485	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	113.5	161.7	-178.3	0	0	0	0	106.2	H160 Y161	V151-H160 WeakPolarHBondContact CA-O 3.35Å; V151-Y161 HydrophobicContact CG2-CD1 3.9Å; V151-Y161 HydrophobicContact CG2-CE1 3.54Å
152	V	67.1	Low	62.6	Low	42 Å²	42	73.9 Å²	73.9	26%	0.255	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129.1	177.2	-173.7	0	0	0	0	108.2	T154 H160	V152-T154 PolarHBondContact O-N 2.84Å; V152-H160 HydrophobicContact CB-CB 4.4Å; V152-H160 PolarHBondContact N-O 3.47Å; V152-H160 WeakPolarHBondContact O-CB 3.32Å; V152-H160 PolarHBondContact O-N 3.11Å
153	N	63.3	Low	65.2	Low	99 Å²	99	67.5 Å²	67.5	53%	0.529	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	120.5	167	-73.7	-6.3	0	0	0	108
154	T	69.6	Low	67.4	Low	8 Å²	8	68.5 Å²	68.5	5%	0.049	36%	0.358	C	S	.	.			trans	-79.3	178.2	179.5	72.3	0	0	0	0	112.2	V152 H156 D157 N158 H160 L171 V185 N191	V152-T154 PolarHBondContact O-N 2.84Å; T154-H156 PolarHBondContact O-N 3.11Å; T154-H156 PolarHBondContact OG1-N 3.33Å; T154-D157 PolarHBondContact O-N 2.62Å; T154-D157 VanDerWaalsContact O-N 3.15Å; T154-N158 HydrophobicContact CG2-CB 4.04Å; T154-N158 WeakPolarHBondContact CG2-O 3.27Å; T154-N158 PolarHBondContact N-O 3.33Å; T154-N158 WeakPolarHBondContact OG1-CB 3.34Å; T154-N158 PolarHBondContact OG1-N 2.86Å; T154-N158 VanDerWaalsContact OG1-N 3.11Å; T154-N158 PolarHBondContact OG1-ND2 2.86Å; T154-H160 HydrophobicContact CG2-CB 3.81Å; T154-L171 HydrophobicContact CG2-CD2 4.2Å; T154-V185 HydrophobicContact CG2-CG1 4.11Å; T154-N191 WeakPolarHBondContact CB-O 3.44Å; T154-N191 WeakPolarHBondContact CG2-O 3.49Å
155	L	60.7	Low	69.3	Low	107 Å²	107	64.9 Å²	64.9	56%	0.56	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-14.8	175.9	-71.8	166.7	0	0	0	114.7
156	H	65.6	Low	70.8	Confident	58 Å²	58	60.3 Å²	60.3	27%	0.269	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.1	31.1	-178.7	-56.2	-63.4	0	0	0	113.4	T154 N158 R177	T154-H156 PolarHBondContact O-N 3.11Å; T154-H156 PolarHBondContact OG1-N 3.33Å; H156-N158 PolarHBondContact O-N 3.23Å; H156-R177 VanDerWaalsContact CG-NH2 3.35Å; H156-R177 PolarHBondContact ND1-NH2 2.83Å
157	D	75.3	Confident	73.2	Confident	135 Å²	135	60.9 Å²	60.9	72%	0.722	32%	0.318	S	S	*	.	S	Bend	trans	57.4	20.7	-178.2	-63.5	-43.4	0	0	0	114.3	T154	T154-D157 PolarHBondContact O-N 2.62Å; T154-D157 VanDerWaalsContact O-N 3.15Å
158	N	84.4	Confident	75.5	Confident	12 Å²	12	57.7 Å²	57.7	6%	0.064	30%	0.303	C	S	.	.			trans	-71.2	149.1	171.9	-58.2	-53.7	0	0	0	111	T154 H156 S172	T154-N158 HydrophobicContact CG2-CB 4.04Å; T154-N158 WeakPolarHBondContact CG2-O 3.27Å; T154-N158 PolarHBondContact N-O 3.33Å; T154-N158 WeakPolarHBondContact OG1-CB 3.34Å; T154-N158 PolarHBondContact OG1-N 2.86Å; T154-N158 VanDerWaalsContact OG1-N 3.11Å; T154-N158 PolarHBondContact OG1-ND2 2.86Å; H156-N158 PolarHBondContact O-N 3.23Å; N158-S172 WeakPolarHBondContact CA-OG 3.19Å; N158-S172 WeakPolarHBondContact CB-O 3.5Å; N158-S172 WeakPolarHBondContact CB-OG 3.47Å; N158-S172 PolarHBondContact OD1-O 3.25Å; N158-S172 VanDerWaalsContact OD1-O 3.12Å
159	L	90.7	Very high	77.7	Confident	25 Å²	25	51.8 Å²	51.8	13%	0.131	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	132.1	168.8	-56.5	177.4	0	0	0	109.7	P112 I115 Q116 Y161 L171 S172	P112-L159 HydrophobicContact CB-CD1 4.06Å; I115-L159 HydrophobicContact CG2-CB 4.49Å; Q116-L159 HydrophobicContact CB-CD1 4.08Å; L159-Y161 HydrophobicContact CB-CE2 3.93Å; L159-Y161 HydrophobicContact CD1-CE2 4.39Å; L159-L171 CarbonylContact O-C 3.51Å; L159-L171 WeakPolarHBondContact O-CA 3.27Å; L159-S172 PolarHBondContact N-OG 3.02Å; L159-S172 PolarHBondContact O-N 2.97Å
160	H	93.4	Very high	79.7	Confident	5 Å²	5	51 Å²	51	2%	0.023	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	116.5	173.9	-178	-159.8	0	0	0	110	S150 V151 V152 T154 V162 H169 L170 L171 G192	S150-H160 VanDerWaalsContact O-O 3.06Å; V151-H160 WeakPolarHBondContact CA-O 3.35Å; V152-H160 HydrophobicContact CB-CB 4.4Å; V152-H160 PolarHBondContact N-O 3.47Å; V152-H160 WeakPolarHBondContact O-CB 3.32Å; V152-H160 PolarHBondContact O-N 3.11Å; T154-H160 HydrophobicContact CG2-CB 3.81Å; H160-V162 VanDerWaalsContact CE1-CG2 3.42Å; H160-V162 WeakPolarHBondContact CE1-CG2 3.27Å; H160-V162 WeakPolarHBondContact NE2-CG2 3.35Å; H160-H169 AromaticContact CE1-ND1 3.74Å; H160-H169 AromaticContact NE2-CE1 3.91Å; H160-H169 AromaticContact NE2-CG 3.92Å; H160-H169 AromaticContact NE2-ND1 3.04Å; H160-H169 PolarHBondContact NE2-ND1 3.01Å; H160-L170 WeakPolarHBondContact CA-O 3.32Å; H160-L171 HydrophobicContact CB-CD2 3.52Å; H160-L171 WeakPolarHBondContact CD2-CD2 3.5Å; H160-G192 VanDerWaalsContact CE1-C 3.48Å; H160-G192 PolarHBondContact CE1-O 3.12Å
161	Y	93.2	Very high	81.2	Confident	19 Å²	19	47.7 Å²	47.7	8%	0.075	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.9	172.5	-58.5	-97.5	0	0	0	109.5	I115 A119 T149 V151 L159 H169 L170	I115-Y161 HydrophobicContact CG2-CD2 3.79Å; I115-Y161 HydrophobicContact CG2-CE2 3.87Å; A119-Y161 HydrophobicContact CB-CD1 3.56Å; A119-Y161 HydrophobicContact CB-CD2 3.72Å; A119-Y161 HydrophobicContact CB-CE1 3.65Å; A119-Y161 HydrophobicContact CB-CE2 3.82Å; A119-Y161 HydrophobicContact CB-CG 3.6Å; T149-Y161 HydrophobicContact CG2-CD1 3.85Å; T149-Y161 HydrophobicContact CG2-CG 4.47Å; V151-Y161 HydrophobicContact CG2-CD1 3.9Å; V151-Y161 HydrophobicContact CG2-CE1 3.54Å; L159-Y161 HydrophobicContact CB-CE2 3.93Å; L159-Y161 HydrophobicContact CD1-CE2 4.39Å; Y161-H169 WeakPolarHBondContact O-CA 3.25Å; Y161-L170 HydrophobicContact CD2-CB 4.45Å; Y161-L170 PolarHBondContact N-O 2.91Å; Y161-L170 PolarHBondContact O-N 3.45Å
162	V	91.7	Very high	82.6	Confident	32 Å²	32	44 Å²	44	19%	0.194	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.6	177	-176.6	0	0	0	0	109.7	T149 H160	T149-V162 WeakPolarHBondContact CA-O 3.14Å; H160-V162 VanDerWaalsContact CE1-CG2 3.42Å; H160-V162 WeakPolarHBondContact CE1-CG2 3.27Å; H160-V162 WeakPolarHBondContact NE2-CG2 3.35Å
163	F	90.7	Very high	84	Confident	4 Å²	4	42.1 Å²	42.1	2%	0.018	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	106.7	169.9	-57.6	-86.4	0	0	0	108.1	I122 Q123 L128 T149 T165 F168 L170	I122-F163 HydrophobicContact CB-CE1 4.34Å; I122-F163 HydrophobicContact CB-CZ 4.2Å; I122-F163 HydrophobicContact CD1-CE2 4.44Å; I122-F163 HydrophobicContact CD1-CZ 4.38Å; I122-F163 HydrophobicContact CG2-CD1 4.11Å; I122-F163 HydrophobicContact CG2-CE1 3.53Å; I122-F163 HydrophobicContact CG2-CZ 3.8Å; Q123-F163 HydrophobicContact CG-CE1 4.11Å; L128-F163 HydrophobicContact CD1-CB 3.53Å; L128-F163 HydrophobicContact CD1-CD1 3.58Å; L128-F163 HydrophobicContact CD1-CD2 4.18Å; L128-F163 HydrophobicContact CD1-CE1 4.32Å; L128-F163 HydrophobicContact CD1-CG 3.49Å; L128-F163 VanDerWaalsContact CD1-CG 3.49Å; T149-F163 HydrophobicContact CG2-CE1 4.22Å; T149-F163 HydrophobicContact CG2-CZ 4.32Å; F163-T165 PolarHBondContact O-N 3.41Å; F163-F168 HydrophobicContact CB-CB 4.24Å; F163-F168 HydrophobicContact CB-CD1 4.22Å; F163-F168 WeakPolarHBondContact CB-O 3.21Å; F163-F168 AromaticContact CD2-CD1 3.7Å; F163-F168 HydrophobicContact CD2-CD1 3.7Å; F163-F168 HydrophobicContact CD2-CE1 4.2Å; F163-F168 HydrophobicContact CE2-CD1 4.42Å; F163-F168 HydrophobicContact CE2-CE1 4.49Å; F163-F168 HydrophobicContact CG-CD1 4.17Å; F163-F168 PolarHBondContact N-O 2.55Å; F163-F168 PolarHBondContact O-N 3.21Å; F163-L170 HydrophobicContact CE2-CD1 3.72Å; F163-L170 HydrophobicContact CE2-CG 3.89Å; F163-L170 HydrophobicContact CZ-CD1 4.33Å
164	E	81.1	Confident	85.5	Confident	118 Å²	118	39.4 Å²	39.4	55%	0.551	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-35	-175.7	-68.1	-174.7	152.1	0	0	112.1	K148 G166 R167	K148-E164 WeakPolarHBondContact CD-OE1 3.33Å; K148-E164 IonicContact NZ-OE1 3.26Å; K148-E164 PolarHBondContact NZ-OE1 3.25Å; E164-G166 PolarHBondContact O-N 2.91Å; E164-R167 PolarHBondContact O-N 3.14Å
165	T	72.5	Confident	86.8	Confident	55 Å²	55	39.6 Å²	39.6	34%	0.337	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	109.3	175	-52.7	0	0	0	0	110.9	Y93 F163 R167	Y93-T165 PolarHBondContact OH-O 3.15Å; F163-T165 PolarHBondContact O-N 3.41Å; T165-R167 VanDerWaalsContact C-N 3.29Å; T165-R167 PolarHBondContact O-N 3.25Å
166	G	69.5	Low	88.5	Confident	31 Å²	31	38.3 Å²	38.3	32%	0.32	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	18.8	178.1	0	0	0	0	0	114.7	Y93 E164 F168	Y93-G166 WeakPolarHBondContact OH-CA 3.14Å; E164-G166 PolarHBondContact O-N 2.91Å; G166-F168 VanDerWaalsContact C-N 3.34Å; G166-F168 PolarHBondContact O-N 3.23Å
167	R	87	Confident	89.9	Confident	152 Å²	152	39 Å²	39	57%	0.574	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	43.5	59.2	-176	-56.7	-163.7	-164	160.2	3.7	111.7	E104 L105 Y106 E164 T165 H169	E104-R167 WeakPolarHBondContact O-CB 3.19Å; E104-R167 VanDerWaalsContact O-CD 3.32Å; E104-R167 WeakPolarHBondContact O-CD 3.42Å; L105-R167 HydrophobicContact CD1-CB 4.29Å; Y106-R167 PolarHBondContact N-O 3.46Å; Y106-R167 VanDerWaalsContact N-O 3.1Å; E164-R167 PolarHBondContact O-N 3.14Å; T165-R167 VanDerWaalsContact C-N 3.29Å; T165-R167 PolarHBondContact O-N 3.25Å; R167-H169 PolarHBondContact O-CD2 2.91Å
168	F	95.4	Very high	90.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	123.8	179.9	176.2	-127.6	0	0	0	110.7	Y93 Y106 E108 I122 L128 F163 G166 L170	Y93-F168 HydrophobicContact CD1-CB 4.26Å; Y93-F168 AromaticContact CD1-CD1 3.75Å; Y93-F168 HydrophobicContact CD1-CD1 3.75Å; Y93-F168 AromaticContact CD1-CD2 3.75Å; Y93-F168 HydrophobicContact CD1-CD2 3.75Å; Y93-F168 AromaticContact CD1-CE1 3.89Å; Y93-F168 HydrophobicContact CD1-CE1 3.89Å; Y93-F168 AromaticContact CD1-CE2 3.9Å; Y93-F168 HydrophobicContact CD1-CE2 3.9Å; Y93-F168 AromaticContact CD1-CG 3.66Å; Y93-F168 HydrophobicContact CD1-CG 3.66Å; Y93-F168 AromaticContact CD1-CZ 3.96Å; Y93-F168 HydrophobicContact CD1-CZ 3.96Å; Y93-F168 AromaticContact CD2-CD2 3.99Å; Y93-F168 HydrophobicContact CD2-CD2 3.99Å; Y93-F168 HydrophobicContact CD2-CE2 4.47Å; Y93-F168 HydrophobicContact CD2-CG 4.37Å; Y93-F168 HydrophobicContact CE1-CB 3.64Å; Y93-F168 AromaticContact CE1-CD1 3.67Å; Y93-F168 HydrophobicContact CE1-CD1 3.67Å; Y93-F168 HydrophobicContact CE1-CD2 4.03Å; Y93-F168 HydrophobicContact CE1-CE1 4.26Å; Y93-F168 AromaticContact CE1-CG 3.52Å; Y93-F168 HydrophobicContact CE1-CG 3.52Å; Y93-F168 HydrophobicContact CE2-CB 4.03Å; Y93-F168 HydrophobicContact CE2-CD2 4.3Å; Y93-F168 HydrophobicContact CE2-CG 4.29Å; Y93-F168 AromaticContact CG-CD2 3.73Å; Y93-F168 HydrophobicContact CG-CD2 3.73Å; Y93-F168 AromaticContact CG-CE2 3.83Å; Y93-F168 HydrophobicContact CG-CE2 3.83Å; Y93-F168 HydrophobicContact CG-CG 4.09Å; Y93-F168 HydrophobicContact CG-CZ 4.28Å; Y93-F168 AromaticContact CZ-CG 3.88Å; Y106-F168 AromaticContact CD1-CD2 3.67Å; Y106-F168 HydrophobicContact CD1-CD2 3.67Å; Y106-F168 AromaticContact CD1-CE2 3.63Å; Y106-F168 HydrophobicContact CD1-CE2 3.63Å; Y106-F168 HydrophobicContact CE1-CE2 4.07Å; Y106-F168 HydrophobicContact CG-CD2 4.27Å; Y106-F168 CarbonylContact O-C 3.58Å; Y106-F168 WeakPolarHBondContact O-CA 3.15Å; E108-F168 HydrophobicContact CG-CE2 3.83Å; E108-F168 HydrophobicContact CG-CZ 4.35Å; I122-F168 HydrophobicContact CD1-CE1 3.85Å; L128-F168 HydrophobicContact CD1-CD1 3.7Å; L128-F168 HydrophobicContact CD1-CE1 4.28Å; F163-F168 HydrophobicContact CB-CB 4.24Å; F163-F168 HydrophobicContact CB-CD1 4.22Å; F163-F168 WeakPolarHBondContact CB-O 3.21Å; F163-F168 AromaticContact CD2-CD1 3.7Å; F163-F168 HydrophobicContact CD2-CD1 3.7Å; F163-F168 HydrophobicContact CD2-CE1 4.2Å; F163-F168 HydrophobicContact CE2-CD1 4.42Å; F163-F168 HydrophobicContact CE2-CE1 4.49Å; F163-F168 HydrophobicContact CG-CD1 4.17Å; F163-F168 PolarHBondContact N-O 2.55Å; F163-F168 PolarHBondContact O-N 3.21Å; G166-F168 VanDerWaalsContact C-N 3.34Å; G166-F168 PolarHBondContact O-N 3.23Å; F168-L170 HydrophobicContact CE1-CD2 3.96Å; F168-L170 HydrophobicContact CE1-CG 4.39Å; F168-L170 HydrophobicContact CE2-CD2 3.99Å; F168-L170 HydrophobicContact CZ-CD2 3.46Å; F168-L170 VanDerWaalsContact CZ-CD2 3.46Å; F168-L170 HydrophobicContact CZ-CG 4.34Å
169	H	96.2	Very high	91.5	Very high	20 Å²	20	35.7 Å²	35.7	9%	0.093	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	134.5	-173.4	-70.2	-126.1	0	0	0	110	Y106 V107 E108 H160 Y161 R167 A193	Y106-H169 PolarHBondContact O-N 3.05Å; V107-H169 CarbonylContact C-O 3.53Å; V107-H169 WeakPolarHBondContact CA-O 3.41Å; V107-H169 HydrophobicContact CG1-CB 4.29Å; V107-H169 HydrophobicContact CG2-CB 4.32Å; E108-H169 PolarHBondContact N-O 2.71Å; H160-H169 AromaticContact CE1-ND1 3.74Å; H160-H169 AromaticContact NE2-CE1 3.91Å; H160-H169 AromaticContact NE2-CG 3.92Å; H160-H169 AromaticContact NE2-ND1 3.04Å; H160-H169 PolarHBondContact NE2-ND1 3.01Å; Y161-H169 WeakPolarHBondContact O-CA 3.25Å; R167-H169 PolarHBondContact O-CD2 2.91Å; H169-A193 HydrophobicContact CB-CB 4.19Å; H169-A193 WeakPolarHBondContact ND1-CA 3.34Å
170	L	96.8	Very high	91.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123.5	165.8	-52.9	178.4	0	0	0	108.4	E108 I115 K118 A119 I122 H160 Y161 F163 F168	E108-L170 HydrophobicContact CB-CD2 3.74Å; E108-L170 HydrophobicContact CG-CD2 4.22Å; E108-L170 WeakPolarHBondContact OE2-CD2 3.33Å; I115-L170 HydrophobicContact CD1-CB 4.21Å; I115-L170 HydrophobicContact CG2-CB 3.94Å; K118-L170 HydrophobicContact CB-CD1 4.35Å; K118-L170 HydrophobicContact CD-CD2 4.35Å; K118-L170 HydrophobicContact CG-CD1 4.09Å; A119-L170 HydrophobicContact CB-CD1 3.86Å; I122-L170 HydrophobicContact CD1-CD1 3.95Å; H160-L170 WeakPolarHBondContact CA-O 3.32Å; Y161-L170 HydrophobicContact CD2-CB 4.45Å; Y161-L170 PolarHBondContact N-O 2.91Å; Y161-L170 PolarHBondContact O-N 3.45Å; F163-L170 HydrophobicContact CE2-CD1 3.72Å; F163-L170 HydrophobicContact CE2-CG 3.89Å; F163-L170 HydrophobicContact CZ-CD1 4.33Å; F168-L170 HydrophobicContact CE1-CD2 3.96Å; F168-L170 HydrophobicContact CE1-CG 4.39Å; F168-L170 HydrophobicContact CE2-CD2 3.99Å; F168-L170 HydrophobicContact CZ-CD2 3.46Å; F168-L170 VanDerWaalsContact CZ-CD2 3.46Å; F168-L170 HydrophobicContact CZ-CG 4.34Å
171	L	95.5	Very high	92	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.7	-179.2	-80.9	172.1	0	0	0	109.3	V107 E108 L109 D110 I115 T154 L159 H160 V185 A193	V107-L171 HydrophobicContact CG1-CD1 3.83Å; V107-L171 HydrophobicContact CG1-CG 4.43Å; E108-L171 PolarHBondContact O-N 3.45Å; L109-L171 VanDerWaalsContact CA-O 3.29Å; L109-L171 WeakPolarHBondContact CA-O 3.15Å; L109-L171 HydrophobicContact CD2-CB 3.44Å; L109-L171 VanDerWaalsContact CD2-CB 3.44Å; L109-L171 HydrophobicContact CD2-CD1 4.25Å; L109-L171 HydrophobicContact CD2-CG 4.49Å; L109-L171 HydrophobicContact CG-CB 4.42Å; D110-L171 PolarHBondContact N-O 3.43Å; I115-L171 WeakPolarHBondContact CD1-O 3.08Å; I115-L171 WeakPolarHBondContact CG1-O 3.5Å; T154-L171 HydrophobicContact CG2-CD2 4.2Å; L159-L171 CarbonylContact O-C 3.51Å; L159-L171 WeakPolarHBondContact O-CA 3.27Å; H160-L171 HydrophobicContact CB-CD2 3.52Å; H160-L171 WeakPolarHBondContact CD2-CD2 3.5Å; L171-V185 HydrophobicContact CD1-CG1 4.22Å; L171-V185 HydrophobicContact CD2-CG1 3.96Å; L171-A193 HydrophobicContact CD1-CB 3.8Å
172	S	95.3	Very high	92.1	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.007	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	133.5	168.5	75.4	0	0	0	0	110.4	D110 N158 L159	D110-S172 CarbonylContact O-C 3.58Å; D110-S172 WeakPolarHBondContact O-CA 3.42Å; N158-S172 WeakPolarHBondContact CA-OG 3.19Å; N158-S172 WeakPolarHBondContact CB-O 3.5Å; N158-S172 WeakPolarHBondContact CB-OG 3.47Å; N158-S172 PolarHBondContact OD1-O 3.25Å; N158-S172 VanDerWaalsContact OD1-O 3.12Å; L159-S172 PolarHBondContact N-OG 3.02Å; L159-S172 PolarHBondContact O-N 2.97Å
173	F	95.9	Very high	92.4	Very high	3 Å²	3	38.1 Å²	38.1	1%	0.013	19%	0.187	C	C	.	.			trans	-160.1	132.7	172.2	-169.3	-89.8	0	0	0	109.9	L109 D110 L175 R177 D181 L182	L109-F173 HydrophobicContact CD2-CB 3.85Å; D110-F173 CarbonylContact C-O 3.52Å; D110-F173 PolarHBondContact O-N 2.86Å; F173-L175 HydrophobicContact CD1-CD2 4.15Å; F173-L175 PolarHBondContact O-N 3.13Å; F173-R177 HydrophobicContact CE1-CB 4.09Å; F173-R177 HydrophobicContact CZ-CB 3.82Å; F173-D181 HydrophobicContact CE2-CB 3.92Å; F173-D181 HydrophobicContact CZ-CB 3.92Å; F173-L182 HydrophobicContact CB-CD1 4.44Å; F173-L182 HydrophobicContact CD1-CB 4.19Å; F173-L182 HydrophobicContact CD1-CD1 3.84Å; F173-L182 HydrophobicContact CD1-CG 4.48Å; F173-L182 HydrophobicContact CD2-CD1 4.29Å; F173-L182 HydrophobicContact CE1-CB 3.61Å; F173-L182 HydrophobicContact CE1-CD1 4.16Å; F173-L182 HydrophobicContact CE1-CG 4.33Å; F173-L182 VanDerWaalsContact CE2-CA 3.49Å; F173-L182 HydrophobicContact CE2-CB 4.04Å; F173-L182 HydrophobicContact CG-CD1 3.92Å; F173-L182 VanDerWaalsContact CZ-CA 3.45Å; F173-L182 HydrophobicContact CZ-CB 3.53Å; F173-L182 VanDerWaalsContact CZ-N 3.28Å
174	D	95.2	Very high	92.6	Very high	42 Å²	42	41.1 Å²	41.1	23%	0.225	20%	0.203	C	C	.	.			trans	-82.2	105.6	169.2	-179.3	-6.7	0	0	0	109.9	L111 R176 R177	L111-D174 HydrophobicContact CD2-CB 4.11Å; D174-R176 VanDerWaalsContact CG-NH2 3.34Å; D174-R176 PolarHBondContact O-N 2.99Å; D174-R176 VanDerWaalsContact OD1-CB 3.26Å; D174-R176 WeakPolarHBondContact OD1-CB 3.35Å; D174-R176 WeakPolarHBondContact OD1-CG 3.32Å; D174-R176 IonicContact OD1-CZ 3.35Å; D174-R176 PolarHBondContact OD1-N 3.12Å; D174-R176 IonicContact OD1-NE 3.02Å; D174-R176 PolarHBondContact OD1-NE 2.94Å; D174-R176 IonicContact OD1-NH2 3.66Å; D174-R176 PolarHBondContact OD1-NH2 3.02Å; D174-R176 IonicContact OD2-CZ 3.7Å; D174-R176 IonicContact OD2-NE 2.62Å; D174-R176 PolarHBondContact OD2-NE 3.2Å; D174-R176 VanDerWaalsContact OD2-NE 3.14Å; D174-R176 IonicContact OD2-NH2 2.73Å; D174-R176 PolarHBondContact OD2-NH2 3.44Å; D174-R177 HydrophobicContact CB-CG 4.19Å; D174-R177 VanDerWaalsContact O-CB 3.29Å; D174-R177 WeakPolarHBondContact O-CB 3.32Å; D174-R177 WeakPolarHBondContact O-CG 3Å; D174-R177 PolarHBondContact O-N 3.49Å
175	L	97.1	Very high	93.2	Very high	13 Å²	13	35.5 Å²	35.5	7%	0.068	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-15.2	-177.6	-64.7	171.8	0	0	0	114	L85 F173 R177 L182 V208 M212 L220	L85-L175 HydrophobicContact CB-CD1 3.86Å; L85-L175 HydrophobicContact CB-CD2 4.49Å; L85-L175 HydrophobicContact CD2-CD2 3.9Å; F173-L175 HydrophobicContact CD1-CD2 4.15Å; F173-L175 PolarHBondContact O-N 3.13Å; L175-R177 VanDerWaalsContact C-N 3.26Å; L175-R177 PolarHBondContact O-N 2.99Å; L175-L182 HydrophobicContact CD2-CD2 4.16Å; L175-V208 HydrophobicContact CD1-CG1 3.65Å; L175-M212 HydrophobicContact CB-CE 4Å; L175-M212 HydrophobicContact CB-SD 3.96Å; L175-M212 WeakPolarHBondContact O-CE 3.45Å; L175-L220 HydrophobicContact CB-CD2 4.4Å; L175-L220 HydrophobicContact CD2-CD2 4.39Å
176	R	95	Very high	94.3	Very high	79 Å²	79	32.9 Å²	32.9	30%	0.298	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-15	175.4	-58.4	167.9	-63.9	-162.3	3.7	113.1	D12 D174 M212	D12-R176 IonicContact OD1-CZ 2.81Å; D12-R176 IonicContact OD1-NH1 2.97Å; D12-R176 PolarHBondContact OD1-NH1 3.01Å; D12-R176 IonicContact OD1-NH2 2.68Å; D12-R176 PolarHBondContact OD1-NH2 3.44Å; D12-R176 IonicContact OD2-NH2 3.3Å; D174-R176 VanDerWaalsContact CG-NH2 3.34Å; D174-R176 PolarHBondContact O-N 2.99Å; D174-R176 VanDerWaalsContact OD1-CB 3.26Å; D174-R176 WeakPolarHBondContact OD1-CB 3.35Å; D174-R176 WeakPolarHBondContact OD1-CG 3.32Å; D174-R176 IonicContact OD1-CZ 3.35Å; D174-R176 PolarHBondContact OD1-N 3.12Å; D174-R176 IonicContact OD1-NE 3.02Å; D174-R176 PolarHBondContact OD1-NE 2.94Å; D174-R176 IonicContact OD1-NH2 3.66Å; D174-R176 PolarHBondContact OD1-NH2 3.02Å; D174-R176 IonicContact OD2-CZ 3.7Å; D174-R176 IonicContact OD2-NE 2.62Å; D174-R176 PolarHBondContact OD2-NE 3.2Å; D174-R176 VanDerWaalsContact OD2-NE 3.14Å; D174-R176 IonicContact OD2-NH2 2.73Å; D174-R176 PolarHBondContact OD2-NH2 3.44Å; R176-M212 HydrophobicContact CG-CB 4.48Å; R176-M212 HydrophobicContact CG-CE 4.22Å; R176-M212 HydrophobicContact CG-CG 3.99Å
177	R	95.5	Very high	95.6	Very high	72 Å²	72	32.9 Å²	32.9	27%	0.272	16%	0.156	S	C	.	.	S	Bend	trans	-70.3	163.8	174.7	-70.2	177.8	60.6	174.5	-3	111.4	H156 F173 D174 L175 V179 D181	H156-R177 VanDerWaalsContact CG-NH2 3.35Å; H156-R177 PolarHBondContact ND1-NH2 2.83Å; F173-R177 HydrophobicContact CE1-CB 4.09Å; F173-R177 HydrophobicContact CZ-CB 3.82Å; D174-R177 HydrophobicContact CB-CG 4.19Å; D174-R177 VanDerWaalsContact O-CB 3.29Å; D174-R177 WeakPolarHBondContact O-CB 3.32Å; D174-R177 WeakPolarHBondContact O-CG 3Å; D174-R177 PolarHBondContact O-N 3.49Å; L175-R177 VanDerWaalsContact C-N 3.26Å; L175-R177 PolarHBondContact O-N 2.99Å; R177-V179 PolarHBondContact O-N 3.46Å; R177-D181 IonicContact CZ-OD2 2.77Å; R177-D181 IonicContact NE-OD2 3.31Å; R177-D181 PolarHBondContact NE-OD2 3.3Å; R177-D181 IonicContact NH2-OD2 2.77Å; R177-D181 PolarHBondContact NH2-OD2 3.05Å
178	P	96.7	Very high	95.9	Very high	63 Å²	63	26.8 Å²	26.8	41%	0.409	14%	0.136	S	C	.	.			trans	-52.6	136.6	176	-27.7	36.3	0	0	0	112.6	Q180 D181	P178-Q180 PolarHBondContact O-N 2.96Å; P178-Q180 VanDerWaalsContact O-N 3.13Å; P178-D181 WeakPolarHBondContact O-CB 3.46Å; P178-D181 PolarHBondContact O-N 3Å; P178-D181 VanDerWaalsContact O-N 3.09Å
179	V	97.6	Very high	95.6	Very high	16 Å²	16	32.7 Å²	32.7	10%	0.097	17%	0.172	C	C	.	.	H	α-helix	trans	-60.5	-25.7	-178.7	68.3	0	0	0	0	113	R177 L182 L183 Q219 L220	R177-V179 PolarHBondContact O-N 3.46Å; V179-L182 WeakPolarHBondContact O-CB 2.99Å; V179-L182 PolarHBondContact O-N 3.34Å; V179-L183 HydrophobicContact CG2-CD1 4.47Å; V179-L183 HydrophobicContact CG2-CG 4.46Å; V179-L183 VanDerWaalsContact O-CG 3.27Å; V179-L183 WeakPolarHBondContact O-CG 3.49Å; V179-L183 PolarHBondContact O-N 3.06Å; V179-Q219 HydrophobicContact CB-CG 4.21Å; V179-Q219 HydrophobicContact CG1-CG 3.86Å; V179-L220 HydrophobicContact CG2-CD1 4.25Å
180	Q	97	Very high	95.1	Very high	92 Å²	92	37.1 Å²	37.1	43%	0.43	20%	0.2	S	C	.	.	H	α-helix	trans	-64.1	-42.2	175.9	-171.1	58.8	51.2	0	0	111.8	P178 L182 L183 D184	P178-Q180 PolarHBondContact O-N 2.96Å; P178-Q180 VanDerWaalsContact O-N 3.13Å; Q180-L182 PolarHBondContact O-N 2.82Å; Q180-L183 PolarHBondContact O-N 3.21Å; Q180-L183 VanDerWaalsContact O-N 3.11Å; Q180-D184 PolarHBondContact NE2-OD1 3.21Å; Q180-D184 VanDerWaalsContact O-CG 3.23Å; Q180-D184 PolarHBondContact O-N 3.33Å
181	D	96.1	Very high	94.5	Very high	37 Å²	37	39.3 Å²	39.3	20%	0.198	21%	0.212	C	C	.	.	H	α-helix	trans	-59.6	-38.2	174.8	-61.8	13.1	0	0	0	111.1	F173 R177 P178 V185	F173-D181 HydrophobicContact CE2-CB 3.92Å; F173-D181 HydrophobicContact CZ-CB 3.92Å; R177-D181 IonicContact CZ-OD2 2.77Å; R177-D181 IonicContact NE-OD2 3.31Å; R177-D181 PolarHBondContact NE-OD2 3.3Å; R177-D181 IonicContact NH2-OD2 2.77Å; R177-D181 PolarHBondContact NH2-OD2 3.05Å; P178-D181 WeakPolarHBondContact O-CB 3.46Å; P178-D181 PolarHBondContact O-N 3Å; P178-D181 VanDerWaalsContact O-N 3.09Å; D181-V185 WeakPolarHBondContact O-CG2 3.1Å; D181-V185 PolarHBondContact O-N 3.11Å
182	L	97	Very high	94.2	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-63.5	-48.3	175	173.6	59.5	0	0	0	110.4	L109 F173 L175 V179 Q180 D184 V185 L186 L220 L224	L109-L182 HydrophobicContact CD1-CD1 3.69Å; L109-L182 HydrophobicContact CD2-CD1 4.12Å; F173-L182 HydrophobicContact CB-CD1 4.44Å; F173-L182 HydrophobicContact CD1-CB 4.19Å; F173-L182 HydrophobicContact CD1-CD1 3.84Å; F173-L182 HydrophobicContact CD1-CG 4.48Å; F173-L182 HydrophobicContact CD2-CD1 4.29Å; F173-L182 HydrophobicContact CE1-CB 3.61Å; F173-L182 HydrophobicContact CE1-CD1 4.16Å; F173-L182 HydrophobicContact CE1-CG 4.33Å; F173-L182 VanDerWaalsContact CE2-CA 3.49Å; F173-L182 HydrophobicContact CE2-CB 4.04Å; F173-L182 HydrophobicContact CG-CD1 3.92Å; F173-L182 VanDerWaalsContact CZ-CA 3.45Å; F173-L182 HydrophobicContact CZ-CB 3.53Å; F173-L182 VanDerWaalsContact CZ-N 3.28Å; L175-L182 HydrophobicContact CD2-CD2 4.16Å; V179-L182 WeakPolarHBondContact O-CB 2.99Å; V179-L182 PolarHBondContact O-N 3.34Å; Q180-L182 PolarHBondContact O-N 2.82Å; L182-D184 VanDerWaalsContact C-N 3.31Å; L182-D184 PolarHBondContact O-N 2.81Å; L182-V185 PolarHBondContact O-N 2.9Å; L182-L186 HydrophobicContact CD1-CB 4.5Å; L182-L186 WeakPolarHBondContact O-CB 3.47Å; L182-L186 PolarHBondContact O-N 2.91Å; L182-L220 HydrophobicContact CD2-CD1 3.6Å; L182-L224 HydrophobicContact CD2-CD2 4.48Å
183	L	97.5	Very high	94.1	Very high	1 Å²	1	40 Å²	40	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-62.5	-38.7	-179.1	-67.4	170	0	0	0	111.9	V179 Q180 V185 L186 C187 L224 N227 F228	V179-L183 HydrophobicContact CG2-CD1 4.47Å; V179-L183 HydrophobicContact CG2-CG 4.46Å; V179-L183 VanDerWaalsContact O-CG 3.27Å; V179-L183 WeakPolarHBondContact O-CG 3.49Å; V179-L183 PolarHBondContact O-N 3.06Å; Q180-L183 PolarHBondContact O-N 3.21Å; Q180-L183 VanDerWaalsContact O-N 3.11Å; L183-V185 VanDerWaalsContact C-N 3.34Å; L183-V185 PolarHBondContact O-N 3.11Å; L183-L186 PolarHBondContact O-N 3.39Å; L183-C187 WeakPolarHBondContact O-CB 3.44Å; L183-C187 PolarHBondContact O-N 2.82Å; L183-C187 PolarHBondContact O-SG 2.83Å; L183-L224 HydrophobicContact CD2-CD2 4.37Å; L183-N227 HydrophobicContact CD1-CB 4.02Å; L183-N227 VanDerWaalsContact CD1-CG 3.4Å; L183-N227 VanDerWaalsContact CD1-ND2 3.29Å; L183-N227 WeakPolarHBondContact CD1-ND2 3.46Å; L183-N227 HydrophobicContact CD2-CB 4.09Å; L183-F228 HydrophobicContact CD2-CD2 4.45Å; L183-F228 HydrophobicContact CD2-CE2 3.55Å; L183-F228 HydrophobicContact CD2-CZ 4.32Å
184	D	95.2	Very high	94	Very high	67 Å²	67	41.3 Å²	41.3	36%	0.358	23%	0.233	S	C	.	.	H	α-helix	trans	-63.3	-40.7	178.7	-69.2	-10.7	0	0	0	111.3	Q180 L182 S188	Q180-D184 PolarHBondContact NE2-OD1 3.21Å; Q180-D184 VanDerWaalsContact O-CG 3.23Å; Q180-D184 PolarHBondContact O-N 3.33Å; L182-D184 VanDerWaalsContact C-N 3.31Å; L182-D184 PolarHBondContact O-N 2.81Å; D184-S188 WeakPolarHBondContact O-CB 3.29Å; D184-S188 PolarHBondContact O-N 3.03Å
185	V	93.6	Very high	94.1	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-76.3	-44.3	175.9	178	0	0	0	0	111.7	T154 L171 D181 L182 L183 C187 G192	T154-V185 HydrophobicContact CG2-CG1 4.11Å; L171-V185 HydrophobicContact CD1-CG1 4.22Å; L171-V185 HydrophobicContact CD2-CG1 3.96Å; D181-V185 WeakPolarHBondContact O-CG2 3.1Å; D181-V185 PolarHBondContact O-N 3.11Å; L182-V185 PolarHBondContact O-N 2.9Å; L183-V185 VanDerWaalsContact C-N 3.34Å; L183-V185 PolarHBondContact O-N 3.11Å; V185-C187 PolarHBondContact O-N 2.89Å; V185-G192 WeakPolarHBondContact O-CA 3.13Å
186	L	95.8	Very high	94.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.3	-40.9	-176.3	-177.6	60.9	0	0	0	111.6	V83 V107 L182 L183 A193 G194 C195 F203 F228	V83-L186 HydrophobicContact CG1-CD1 4.21Å; V83-L186 HydrophobicContact CG1-CD2 4.28Å; V83-L186 HydrophobicContact CG2-CD1 4.13Å; V83-L186 HydrophobicContact CG2-CD2 4.32Å; V107-L186 HydrophobicContact CB-CD1 4.31Å; V107-L186 HydrophobicContact CG1-CD1 3.95Å; V107-L186 HydrophobicContact CG2-CD1 4.21Å; L182-L186 HydrophobicContact CD1-CB 4.5Å; L182-L186 WeakPolarHBondContact O-CB 3.47Å; L182-L186 PolarHBondContact O-N 2.91Å; L183-L186 PolarHBondContact O-N 3.39Å; L186-A193 HydrophobicContact CD1-CB 4.44Å; L186-G194 PolarHBondContact O-N 3.32Å; L186-C195 HydrophobicContact CD1-CB 3.92Å; L186-C195 HydrophobicContact CD2-CB 4.48Å; L186-C195 HydrophobicContact CG-CB 3.67Å; L186-C195 WeakPolarHBondContact O-CB 3.35Å; L186-C195 PolarHBondContact O-N 3.42Å; L186-F203 HydrophobicContact CD2-CE1 4.29Å; L186-F228 HydrophobicContact CD2-CZ 4.27Å
187	C	96.3	Very high	94.2	Very high	31 Å²	31	40.5 Å²	40.5	21%	0.209	23%	0.234	C	C	.	.	H	α-helix	trans	-93.2	-10.8	-175	-52.4	0	0	0	0	114	L183 V185 T189 C195	L183-C187 WeakPolarHBondContact O-CB 3.44Å; L183-C187 PolarHBondContact O-N 2.82Å; L183-C187 PolarHBondContact O-SG 2.83Å; V185-C187 PolarHBondContact O-N 2.89Å; C187-T189 PolarHBondContact O-N 2.88Å; C187-C195 WeakPolarHBondContact CA-O 3.11Å; C187-C195 WeakPolarHBondContact CB-O 3.32Å; C187-C195 PolarHBondContact SG-O 2.97Å
188	S	93.3	Very high	94.3	Very high	24 Å²	24	42.3 Å²	42.3	17%	0.168	25%	0.252	C	S	.	.			trans	-64.4	127.4	178.1	178.7	0	0	0	0	111	D184 V190 N191 G192 G194	D184-S188 WeakPolarHBondContact O-CB 3.29Å; D184-S188 PolarHBondContact O-N 3.03Å; S188-V190 VanDerWaalsContact C-N 3.31Å; S188-V190 PolarHBondContact OG-N 3.43Å; S188-N191 PolarHBondContact OG-N 2.9Å; S188-G192 CarbonylContact O-C 3.55Å; S188-G192 WeakPolarHBondContact O-CA 3.49Å; S188-G192 PolarHBondContact O-N 3.13Å; S188-G194 WeakPolarHBondContact O-CA 3.31Å; S188-G194 PolarHBondContact O-N 3.33Å
189	T	89.4	Confident	94.4	Very high	123 Å²	123	44.5 Å²	44.5	76%	0.755	25%	0.253	S	S	*	.	S	Bend	trans	-83.7	-9	174.1	59.2	0	0	0	0	113	C187	C187-T189 PolarHBondContact O-N 2.88Å
190	V	85.7	Confident	94.4	Very high	113 Å²	113	44 Å²	44	69%	0.685	25%	0.251	S	S	*	.	S	Bend	trans	-103.4	-47.5	-176.5	-175.8	0	0	0	0	110.6	S188	S188-V190 VanDerWaalsContact C-N 3.31Å; S188-V190 PolarHBondContact OG-N 3.43Å
191	N	83.1	Confident	94.5	Very high	46 Å²	46	39.7 Å²	39.7	25%	0.246	23%	0.23	C	C	.	.	S	Bend	trans	-122.4	24.7	-171.3	-67.7	-26.5	0	0	0	111.7	T154 S188	T154-N191 WeakPolarHBondContact CB-O 3.44Å; T154-N191 WeakPolarHBondContact CG2-O 3.49Å; S188-N191 PolarHBondContact OG-N 2.9Å
192	G	90.1	Very high	94.6	Very high	8 Å²	8	37.9 Å²	37.9	8%	0.082	22%	0.221	C	C	.	.	S	Bend	trans	-156.5	-171.5	-166.9	0	0	0	0	0	113.4	H160 V185 S188 G194	H160-G192 VanDerWaalsContact CE1-C 3.48Å; H160-G192 PolarHBondContact CE1-O 3.12Å; V185-G192 WeakPolarHBondContact O-CA 3.13Å; S188-G192 CarbonylContact O-C 3.55Å; S188-G192 WeakPolarHBondContact O-CA 3.49Å; S188-G192 PolarHBondContact O-N 3.13Å; G192-G194 VanDerWaalsContact C-N 3.29Å; G192-G194 PolarHBondContact O-N 2.82Å
193	A	92.6	Very high	94.7	Very high	9 Å²	9	37.9 Å²	37.9	7%	0.074	22%	0.221	C	C	.	.			trans	-79.7	-8.9	-179.1	0	0	0	0	0	114.3	V107 H169 L171 L186 C195	V107-A193 HydrophobicContact CG1-CB 4.14Å; V107-A193 HydrophobicContact CG2-CB 3.57Å; H169-A193 HydrophobicContact CB-CB 4.19Å; H169-A193 WeakPolarHBondContact ND1-CA 3.34Å; L171-A193 HydrophobicContact CD1-CB 3.8Å; L186-A193 HydrophobicContact CD1-CB 4.44Å; A193-C195 PolarHBondContact O-N 2.99Å
194	G	94.3	Very high	94.8	Very high	29 Å²	29	37.8 Å²	37.8	30%	0.299	22%	0.221	S	C	.	.			trans	64.2	28.9	-175.9	0	0	0	0	0	113.3	L186 S188 G192 S196	L186-G194 PolarHBondContact O-N 3.32Å; S188-G194 WeakPolarHBondContact O-CA 3.31Å; S188-G194 PolarHBondContact O-N 3.33Å; G192-G194 VanDerWaalsContact C-N 3.29Å; G192-G194 PolarHBondContact O-N 2.82Å; G194-S196 PolarHBondContact O-N 2.93Å
195	C	97	Very high	94.9	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.02	20%	0.203	C	C	.	.			trans	-61.3	124.9	176.8	-170.5	0	0	0	0	110.3	Q81 L105 L186 C187 A193	Q81-C195 PolarHBondContact NE2-SG 3.16Å; L105-C195 HydrophobicContact CD2-CB 4Å; L186-C195 HydrophobicContact CD1-CB 3.92Å; L186-C195 HydrophobicContact CD2-CB 4.48Å; L186-C195 HydrophobicContact CG-CB 3.67Å; L186-C195 WeakPolarHBondContact O-CB 3.35Å; L186-C195 PolarHBondContact O-N 3.42Å; C187-C195 WeakPolarHBondContact CA-O 3.11Å; C187-C195 WeakPolarHBondContact CB-O 3.32Å; C187-C195 PolarHBondContact SG-O 2.97Å; A193-C195 PolarHBondContact O-N 2.99Å
196	S	97.6	Very high	95.1	Very high	35 Å²	35	35.6 Å²	35.6	25%	0.245	21%	0.208	C	C	.	.			trans	-87.6	136.2	178.7	178.9	0	0	0	0	110.9	Q81 G194 V198 Y199 F228	Q81-S196 PolarHBondContact NE2-O 3.24Å; G194-S196 PolarHBondContact O-N 2.93Å; S196-V198 PolarHBondContact O-N 3.33Å; S196-V198 PolarHBondContact OG-N 3.26Å; S196-V198 VanDerWaalsContact OG-N 3.15Å; S196-Y199 VanDerWaalsContact CB-CD2 3.41Å; S196-F228 WeakPolarHBondContact O-CE1 3.29Å
197	K	97.7	Very high	95.1	Very high	79 Å²	79	36.5 Å²	36.5	34%	0.343	21%	0.214	S	C	.	.	S	Bend	trans	-71.5	-10.3	171.7	-65.2	-176.7	-177	-175.8	0	113.5	N227 F228	K197-N227 WeakPolarHBondContact CB-O 3.46Å; K197-N227 HydrophobicContact CD-CB 4.27Å; K197-N227 WeakPolarHBondContact CG-O 3.39Å; K197-N227 PolarHBondContact NZ-OD1 3.15Å; K197-F228 HydrophobicContact CG-CE1 4.21Å; K197-F228 HydrophobicContact CG-CZ 4.28Å
198	V	97	Very high	95.2	Very high	110 Å²	110	35.6 Å²	35.6	67%	0.667	21%	0.208	S	C	*	.	S	Bend	trans	-91.1	-34.4	-175.4	-178.7	0	0	0	0	112.3	S196	S196-V198 PolarHBondContact O-N 3.33Å; S196-V198 PolarHBondContact OG-N 3.26Å; S196-V198 VanDerWaalsContact OG-N 3.15Å
199	Y	97.8	Very high	95.4	Very high	109 Å²	109	34.5 Å²	34.5	43%	0.427	20%	0.2	S	C	.	.	S	Bend	trans	-77.2	150.7	-176.6	-67.7	-55.6	0	0	0	111.7	S196 T201	S196-Y199 VanDerWaalsContact CB-CD2 3.41Å; Y199-T201 PolarHBondContact O-N 3.09Å; Y199-T201 PolarHBondContact O-OG1 2.61Å
200	P	98.4	Very high	95.7	Very high	7 Å²	7	28.6 Å²	28.6	5%	0.045	16%	0.164	C	C	.	.			trans	-52.2	126.4	169.3	-27	35.7	0	0	0	111.6	F72 T76 C80 Q81 R230 L334	F72-P200 HydrophobicContact CE1-CB 4.44Å; F72-P200 HydrophobicContact CZ-CB 3.95Å; T76-P200 HydrophobicContact CG2-CB 3.64Å; T76-P200 HydrophobicContact CG2-CG 3.86Å; C80-P200 CarbonylContact C-O 3.54Å; C80-P200 VanDerWaalsContact CA-O 3.29Å; C80-P200 WeakPolarHBondContact CA-O 3.28Å; C80-P200 HydrophobicContact CB-CB 3.94Å; C80-P200 VanDerWaalsContact CB-O 3.3Å; C80-P200 WeakPolarHBondContact CB-O 3.37Å; Q81-P200 PolarHBondContact N-O 3.31Å; P200-R230 CarbonylContact C-O 3.47Å; P200-R230 VanDerWaalsContact CA-O 3.23Å; P200-R230 WeakPolarHBondContact CA-O 3.32Å; P200-L334 HydrophobicContact CB-CD1 4.23Å; P200-L334 HydrophobicContact CB-CD2 3.87Å; P200-L334 HydrophobicContact CG-CD2 4.17Å
201	T	98.8	Very high	96.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	126.3	-178.7	-56.1	0	0	0	0	111.5	F72 Q81 V83 Y199 F203 F228 R230 A231 S232	F72-T201 VanDerWaalsContact CZ-C 3.46Å; Q81-T201 HydrophobicContact CB-CG2 4.24Å; Q81-T201 PolarHBondContact NE2-OG1 3.45Å; Q81-T201 WeakPolarHBondContact O-CA 3.43Å; V83-T201 HydrophobicContact CG2-CG2 4.01Å; Y199-T201 PolarHBondContact O-N 3.09Å; Y199-T201 PolarHBondContact O-OG1 2.61Å; T201-F203 HydrophobicContact CG2-CD1 4.46Å; T201-F203 HydrophobicContact CG2-CD2 4.18Å; T201-F203 HydrophobicContact CG2-CE1 3.95Å; T201-F203 HydrophobicContact CG2-CE2 3.65Å; T201-F203 HydrophobicContact CG2-CZ 3.5Å; T201-F203 VanDerWaalsContact CG2-CZ 3.5Å; T201-F228 HydrophobicContact CG2-CD1 4.45Å; T201-R230 PolarHBondContact N-O 3.14Å; T201-A231 CarbonylContact O-C 3.48Å; T201-A231 WeakPolarHBondContact O-CA 3.25Å; T201-A231 WeakPolarHBondContact O-CB 3.25Å; T201-S232 PolarHBondContact O-N 2.96Å
202	L	98.8	Very high	96.6	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	116.1	169.5	176.6	63.7	0	0	0	109.5	A69 F72 Q81 I82 V83 L204 S232 L234	A69-L202 HydrophobicContact CB-CD2 4.31Å; F72-L202 HydrophobicContact CB-CD2 3.88Å; F72-L202 HydrophobicContact CD1-CB 3.6Å; F72-L202 HydrophobicContact CD1-CD2 4.2Å; F72-L202 HydrophobicContact CD2-CB 4.07Å; F72-L202 HydrophobicContact CE1-CB 3.52Å; F72-L202 HydrophobicContact CE2-CB 4.01Å; F72-L202 HydrophobicContact CG-CB 3.87Å; F72-L202 HydrophobicContact CG-CD2 3.97Å; F72-L202 HydrophobicContact CG-CG 4.41Å; F72-L202 HydrophobicContact CZ-CB 3.76Å; Q81-L202 PolarHBondContact O-N 2.98Å; I82-L202 WeakPolarHBondContact CA-O 3.32Å; I82-L202 HydrophobicContact CG1-CB 4.31Å; V83-L202 PolarHBondContact N-O 3.3Å; L202-L204 HydrophobicContact CD1-CD2 4.21Å; L202-L204 HydrophobicContact CD2-CD2 3.7Å; L202-L204 HydrophobicContact CG-CD2 3.67Å; L202-L204 HydrophobicContact CG-CG 4.45Å; L202-S232 WeakPolarHBondContact CA-O 3.22Å; L202-L234 HydrophobicContact CD1-CB 4.02Å
203	F	98.9	Very high	96.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	132.8	168.4	-62.5	-79.3	0	0	0	109.4	V83 L85 L186 T201 L224 F228 A231 S232 F233 L234 W281	V83-F203 HydrophobicContact CB-CD1 3.66Å; V83-F203 HydrophobicContact CB-CE1 3.81Å; V83-F203 HydrophobicContact CG1-CD1 3.96Å; V83-F203 HydrophobicContact CG1-CE1 4.05Å; V83-F203 HydrophobicContact CG2-CD1 4.31Å; V83-F203 HydrophobicContact CG2-CE1 3.98Å; V83-F203 CarbonylContact O-C 3.6Å; V83-F203 WeakPolarHBondContact O-CA 3.42Å; L85-F203 HydrophobicContact CD1-CB 4.31Å; L85-F203 HydrophobicContact CD1-CD1 4.43Å; L186-F203 HydrophobicContact CD2-CE1 4.29Å; T201-F203 HydrophobicContact CG2-CD1 4.46Å; T201-F203 HydrophobicContact CG2-CD2 4.18Å; T201-F203 HydrophobicContact CG2-CE1 3.95Å; T201-F203 HydrophobicContact CG2-CE2 3.65Å; T201-F203 HydrophobicContact CG2-CZ 3.5Å; T201-F203 VanDerWaalsContact CG2-CZ 3.5Å; F203-L224 HydrophobicContact CD1-CD1 3.83Å; F203-L224 HydrophobicContact CD1-CD2 4.25Å; F203-L224 HydrophobicContact CD2-CD1 4.34Å; F203-L224 HydrophobicContact CE1-CD1 4.11Å; F203-L224 HydrophobicContact CE1-CD2 3.65Å; F203-L224 HydrophobicContact CE1-CG 4.4Å; F203-L224 HydrophobicContact CE2-CB 4.25Å; F203-L224 HydrophobicContact CE2-CD2 4.34Å; F203-L224 HydrophobicContact CG-CD1 3.98Å; F203-L224 HydrophobicContact CZ-CB 4.46Å; F203-L224 HydrophobicContact CZ-CD1 4.47Å; F203-L224 HydrophobicContact CZ-CD2 3.71Å; F203-L224 HydrophobicContact CZ-CG 4.42Å; F203-F228 HydrophobicContact CE2-CB 4.2Å; F203-F228 AromaticContact CE2-CD2 3.98Å; F203-F228 HydrophobicContact CE2-CD2 3.98Å; F203-F228 HydrophobicContact CE2-CG 4.02Å; F203-F228 HydrophobicContact CZ-CD1 4.27Å; F203-F228 AromaticContact CZ-CD2 3.58Å; F203-F228 HydrophobicContact CZ-CD2 3.58Å; F203-F228 HydrophobicContact CZ-CE1 4.35Å; F203-F228 AromaticContact CZ-CE2 3.67Å; F203-F228 HydrophobicContact CZ-CE2 3.67Å; F203-F228 AromaticContact CZ-CG 3.9Å; F203-F228 HydrophobicContact CZ-CG 3.9Å; F203-F228 HydrophobicContact CZ-CZ 4.07Å; F203-A231 HydrophobicContact CD2-CB 4.24Å; F203-A231 HydrophobicContact CE2-CB 3.94Å; F203-S232 PolarHBondContact N-O 2.81Å; F203-F233 HydrophobicContact CB-CD2 3.59Å; F203-F233 HydrophobicContact CB-CE2 3.96Å; F203-F233 HydrophobicContact CB-CG 4.12Å; F203-F233 HydrophobicContact CG-CD2 4.31Å; F203-F233 CarbonylContact O-C 3.41Å; F203-F233 WeakPolarHBondContact O-CA 3.39Å; F203-L234 PolarHBondContact O-N 2.63Å; F203-W281 HydrophobicContact CD2-CH2 4.42Å
204	L	98.9	Very high	96.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	140.6	174.5	-50.4	176.7	0	0	0	109.1	F65 I82 V83 N84 L85 L92 L202 L234	F65-L204 HydrophobicContact CE1-CB 4.35Å; I82-L204 HydrophobicContact CG2-CD1 3.74Å; I82-L204 HydrophobicContact CG2-CG 4.05Å; V83-L204 PolarHBondContact O-N 2.68Å; N84-L204 HydrophobicContact CB-CB 4.32Å; N84-L204 HydrophobicContact CB-CD1 4.26Å; L85-L204 VanDerWaalsContact CB-O 3.25Å; L85-L204 WeakPolarHBondContact CB-O 3.49Å; L85-L204 WeakPolarHBondContact CG-O 3.2Å; L85-L204 PolarHBondContact N-O 2.91Å; L92-L204 HydrophobicContact CD2-CD1 3.45Å; L92-L204 VanDerWaalsContact CD2-CD1 3.45Å; L202-L204 HydrophobicContact CD1-CD2 4.21Å; L202-L204 HydrophobicContact CD2-CD2 3.7Å; L202-L204 HydrophobicContact CG-CD2 3.67Å; L202-L204 HydrophobicContact CG-CG 4.45Å; L204-L234 CarbonylContact C-O 3.59Å; L204-L234 WeakPolarHBondContact CA-O 3.48Å; L204-L234 HydrophobicContact CD2-CB 3.84Å; L204-L234 HydrophobicContact CD2-CD2 3.92Å; L204-L234 HydrophobicContact CD2-CG 4.35Å
205	A	98.6	Very high	97	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	108.3	170.7	0	0	0	0	0	110.1	V208 F233 L234 H235 Y236	A205-V208 HydrophobicContact CB-CB 4.18Å; A205-V208 HydrophobicContact CB-CG2 4.27Å; A205-F233 HydrophobicContact CB-CE1 3.62Å; A205-F233 HydrophobicContact CB-CZ 3.73Å; A205-L234 PolarHBondContact N-O 3.07Å; A205-H235 CarbonylContact O-C 3.44Å; A205-H235 VanDerWaalsContact O-CA 3.26Å; A205-H235 WeakPolarHBondContact O-CA 3.46Å; A205-Y236 PolarHBondContact O-N 3.34Å
206	E	97.6	Very high	96.9	Very high	21 Å²	21	32 Å²	32	10%	0.098	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	93.2	-172.2	-149.7	-157.1	82.8	0	0	110.6	K26 R61 F65	K26-E206 IonicContact NZ-OE1 3.17Å; K26-E206 PolarHBondContact NZ-OE1 3.45Å; K26-E206 IonicContact NZ-OE2 3.14Å; K26-E206 PolarHBondContact NZ-OE2 3.25Å; R61-E206 HydrophobicContact CG-CG 4.24Å; R61-E206 IonicContact CZ-OE1 3.32Å; R61-E206 IonicContact NE-OE1 3Å; R61-E206 PolarHBondContact NE-OE1 3.19Å; R61-E206 IonicContact NE-OE2 3.32Å; R61-E206 VanDerWaalsContact NH2-CD 3.32Å; R61-E206 PolarHBondContact NH2-O 2.78Å; R61-E206 VanDerWaalsContact NH2-O 3.09Å; R61-E206 IonicContact NH2-OE1 3.65Å; R61-E206 PolarHBondContact NH2-OE1 3.33Å; F65-E206 HydrophobicContact CD1-CB 4.46Å; F65-E206 HydrophobicContact CD1-CG 4.1Å; F65-E206 HydrophobicContact CE1-CB 3.79Å; F65-E206 HydrophobicContact CE1-CG 3.71Å; F65-E206 HydrophobicContact CE2-CG 4.42Å; F65-E206 HydrophobicContact CZ-CB 4.19Å; F65-E206 HydrophobicContact CZ-CG 3.89Å
207	C	96.2	Very high	96.9	Very high	19 Å²	19	30.5 Å²	30.5	13%	0.128	16%	0.158	C	C	.	.	S	Bend	trans	57	66.9	-167.1	-67.8	0	0	0	0	113	R61 Y211 Y236	R61-C207 PolarHBondContact NH1-SG 3.3Å; C207-Y211 WeakPolarHBondContact O-CD2 3.35Å; C207-Y211 WeakPolarHBondContact O-CE2 3.25Å; C207-Y236 WeakPolarHBondContact CA-O 3.27Å; C207-Y236 PolarHBondContact N-O 2.9Å; C207-Y236 WeakPolarHBondContact SG-CD1 3.15Å; C207-Y236 WeakPolarHBondContact SG-CE1 3.33Å
208	V	97.4	Very high	96.9	Very high	13 Å²	13	29.3 Å²	29.3	8%	0.079	16%	0.159	C	C	.	.			trans	-128.5	-50	-172.7	178.8	0	0	0	0	112	L85 L175 A205 V210 Y211 E237	L85-V208 VanDerWaalsContact O-CG2 3.32Å; L85-V208 WeakPolarHBondContact O-CG2 3.34Å; L175-V208 HydrophobicContact CD1-CG1 3.65Å; A205-V208 HydrophobicContact CB-CB 4.18Å; A205-V208 HydrophobicContact CB-CG2 4.27Å; V208-V210 PolarHBondContact O-N 2.99Å; V208-Y211 PolarHBondContact O-N 3.26Å; V208-Y211 VanDerWaalsContact O-N 3.15Å; V208-E237 PolarHBondContact N-OE1 2.9Å
209	L	97.3	Very high	97	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-70.3	-24.6	-170	-49.7	-176.4	0	0	0	111.6	Y211 M212 L220 I221 F233 H235 E237	L209-Y211 PolarHBondContact O-N 2.91Å; L209-M212 HydrophobicContact CD2-SD 4.33Å; L209-M212 PolarHBondContact O-N 3.37Å; L209-M212 VanDerWaalsContact O-N 3.09Å; L209-L220 HydrophobicContact CD2-CD2 3.99Å; L209-I221 HydrophobicContact CD1-CD1 3.87Å; L209-I221 HydrophobicContact CD1-CG1 4.16Å; L209-F233 HydrophobicContact CD1-CE1 4.42Å; L209-F233 HydrophobicContact CD1-CZ 4.35Å; L209-H235 VanDerWaalsContact CD1-CE1 3.42Å; L209-H235 WeakPolarHBondContact CD1-CE1 3.27Å; L209-H235 WeakPolarHBondContact CD1-ND1 3.42Å; L209-E237 WeakPolarHBondContact CA-OE1 3.34Å; L209-E237 WeakPolarHBondContact CB-OE2 3.46Å; L209-E237 PolarHBondContact N-OE1 3.02Å
210	V	95.5	Very high	97	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-63.4	-25.6	175.6	73.6	0	0	0	0	113.1	V208 M212 E237 L260 P261 G262	V208-V210 PolarHBondContact O-N 2.99Å; V210-M212 PolarHBondContact O-N 2.73Å; V210-E237 HydrophobicContact CB-CG 3.9Å; V210-E237 HydrophobicContact CG1-CG 4.35Å; V210-E237 VanDerWaalsContact N-CD 3.32Å; V210-E237 PolarHBondContact N-OE1 3.2Å; V210-E237 PolarHBondContact N-OE2 3.29Å; V210-L260 HydrophobicContact CG1-CD2 4.24Å; V210-L260 HydrophobicContact CG2-CB 3.9Å; V210-L260 HydrophobicContact CG2-CD1 4.44Å; V210-L260 HydrophobicContact CG2-CD2 3.87Å; V210-L260 HydrophobicContact CG2-CG 4.27Å; V210-L260 CarbonylContact O-C 3.43Å; V210-P261 VanDerWaalsContact O-CD 3.26Å; V210-P261 WeakPolarHBondContact O-CD 3.13Å; V210-G262 PolarHBondContact O-N 3.3Å
211	Y	94.7	Very high	97	Very high	34 Å²	34	22.5 Å²	22.5	13%	0.133	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-82.2	-1.5	176.1	-59.3	-55.2	0	0	0	113.4	I15 T18 C207 V208 L209 L260 P261	I15-Y211 HydrophobicContact CG1-CD1 4.29Å; I15-Y211 HydrophobicContact CG1-CG 4.26Å; I15-Y211 HydrophobicContact CG2-CD2 4.39Å; T18-Y211 WeakPolarHBondContact CB-OH 3.36Å; T18-Y211 HydrophobicContact CG2-CE1 4.31Å; T18-Y211 WeakPolarHBondContact CG2-OH 3.44Å; T18-Y211 PolarHBondContact OG1-OH 2.64Å; C207-Y211 WeakPolarHBondContact O-CD2 3.35Å; C207-Y211 WeakPolarHBondContact O-CE2 3.25Å; V208-Y211 PolarHBondContact O-N 3.26Å; V208-Y211 VanDerWaalsContact O-N 3.15Å; L209-Y211 PolarHBondContact O-N 2.91Å; Y211-L260 HydrophobicContact CD1-CD2 4.36Å; Y211-L260 HydrophobicContact CE1-CD2 4.08Å; Y211-P261 VanDerWaalsContact C-CG 3.5Å; Y211-P261 WeakPolarHBondContact O-CG 3.33Å
212	M	94.8	Very high	97	Very high	7 Å²	7	27.5 Å²	27.5	3%	0.034	15%	0.147	C	C	.	.	S	Bend	trans	-114.4	155.6	-178.6	-54.2	173.3	60.9	0	0	110.3	L175 R176 L209 V210 A216 L220 P261 G262	L175-M212 HydrophobicContact CB-CE 4Å; L175-M212 HydrophobicContact CB-SD 3.96Å; L175-M212 WeakPolarHBondContact O-CE 3.45Å; R176-M212 HydrophobicContact CG-CB 4.48Å; R176-M212 HydrophobicContact CG-CE 4.22Å; R176-M212 HydrophobicContact CG-CG 3.99Å; L209-M212 HydrophobicContact CD2-SD 4.33Å; L209-M212 PolarHBondContact O-N 3.37Å; L209-M212 VanDerWaalsContact O-N 3.09Å; V210-M212 PolarHBondContact O-N 2.73Å; M212-A216 HydrophobicContact CB-CB 4.35Å; M212-A216 HydrophobicContact CE-CB 3.84Å; M212-L220 HydrophobicContact CE-CD2 4.39Å; M212-L220 HydrophobicContact SD-CD2 4.45Å; M212-P261 CarbonylContact O-C 3.07Å; M212-G262 WeakPolarHBondContact O-CA 3.46Å; M212-G262 PolarHBondContact O-N 3.29Å
213	S	94.7	Very high	97	Very high	44 Å²	44	27.9 Å²	27.9	31%	0.308	15%	0.151	S	C	.	.			trans	-63	157.1	171.9	69.5	0	0	0	0	111.2	Q215 A216 S217	S213-Q215 PolarHBondContact O-N 3.26Å; S213-Q215 PolarHBondContact OG-OE1 2.71Å; S213-A216 PolarHBondContact O-N 3.28Å; S213-A216 WeakPolarHBondContact OG-CB 3.29Å; S213-A216 PolarHBondContact OG-N 2.79Å; S213-A216 VanDerWaalsContact OG-N 3.15Å; S213-S217 PolarHBondContact O-N 2.89Å; S213-S217 PolarHBondContact O-OG 2.78Å; S213-S217 VanDerWaalsContact O-OG 3.11Å
214	P	93.7	Very high	97	Very high	42 Å²	42	27.9 Å²	27.9	27%	0.273	15%	0.151	S	C	.	.	H	α-helix	trans	-56.3	-35.4	174.2	-26.6	37.1	0	0	0	111.9	S217 C218 P261 D264	P214-S217 PolarHBondContact O-OG 2.84Å; P214-C218 WeakPolarHBondContact O-CB 3.39Å; P214-C218 PolarHBondContact O-N 3.12Å; P214-P261 WeakPolarHBondContact CD-O 3.3Å; P214-D264 HydrophobicContact CG-CB 4.4Å
215	Q	95.3	Very high	97	Very high	139 Å²	139	28.4 Å²	28.4	65%	0.65	15%	0.154	S	C	*	.	H	α-helix	trans	-66.5	-48.1	177.8	-61	77.7	14.8	0	0	111.9	S213 C218 Q219	S213-Q215 PolarHBondContact O-N 3.26Å; S213-Q215 PolarHBondContact OG-OE1 2.71Å; Q215-C218 PolarHBondContact O-N 3.04Å; Q215-Q219 WeakPolarHBondContact O-CB 3.41Å; Q215-Q219 PolarHBondContact O-N 2.75Å
216	A	96.6	Very high	97	Very high	14 Å²	14	32.2 Å²	32.2	12%	0.116	19%	0.186	C	C	.	.	H	α-helix	trans	-66.6	-44	-178.9	0	0	0	0	0	111.7	M212 S213 Q219 L220	M212-A216 HydrophobicContact CB-CB 4.35Å; M212-A216 HydrophobicContact CE-CB 3.84Å; S213-A216 PolarHBondContact O-N 3.28Å; S213-A216 WeakPolarHBondContact OG-CB 3.29Å; S213-A216 PolarHBondContact OG-N 2.79Å; S213-A216 VanDerWaalsContact OG-N 3.15Å; A216-Q219 PolarHBondContact O-N 3.31Å; A216-L220 PolarHBondContact O-N 2.98Å
217	S	97.5	Very high	97	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.014	19%	0.191	C	C	.	.	H	α-helix	trans	-67.4	-36.8	176.7	62.8	0	0	0	0	112.3	S213 P214 L220 I221 R275	S213-S217 PolarHBondContact O-N 2.89Å; S213-S217 PolarHBondContact O-OG 2.78Å; S213-S217 VanDerWaalsContact O-OG 3.11Å; P214-S217 PolarHBondContact O-OG 2.84Å; S217-L220 PolarHBondContact O-N 3.06Å; S217-I221 WeakPolarHBondContact O-CD1 3.39Å; S217-I221 WeakPolarHBondContact O-CG1 3.5Å; S217-I221 PolarHBondContact O-N 3.4Å; S217-R275 PolarHBondContact OG-NH2 2.95Å; S217-R275 VanDerWaalsContact OG-NH2 3.08Å
218	C	97.4	Very high	97.1	Very high	54 Å²	54	32.3 Å²	32.3	37%	0.365	19%	0.186	S	C	.	.	H	α-helix	trans	-60.9	-48.4	172.9	-174.8	0	0	0	0	111.4	P214 Q215 L220 I221 E222	P214-C218 WeakPolarHBondContact O-CB 3.39Å; P214-C218 PolarHBondContact O-N 3.12Å; Q215-C218 PolarHBondContact O-N 3.04Å; C218-L220 VanDerWaalsContact C-N 3.3Å; C218-L220 PolarHBondContact O-N 3.38Å; C218-I221 PolarHBondContact O-N 2.89Å; C218-E222 VanDerWaalsContact O-CB 3.25Å; C218-E222 WeakPolarHBondContact O-CB 3.43Å; C218-E222 PolarHBondContact O-N 3.21Å
219	Q	98	Very high	97.1	Very high	79 Å²	79	35.5 Å²	35.5	37%	0.369	21%	0.207	S	C	.	.	H	α-helix	trans	-59.1	-41	178	-178	-178.3	-1.5	0	0	112	V179 Q215 A216 G223	V179-Q219 HydrophobicContact CB-CG 4.21Å; V179-Q219 HydrophobicContact CG1-CG 3.86Å; Q215-Q219 WeakPolarHBondContact O-CB 3.41Å; Q215-Q219 PolarHBondContact O-N 2.75Å; A216-Q219 PolarHBondContact O-N 3.31Å; Q219-G223 PolarHBondContact O-N 3.46Å
220	L	98.7	Very high	97.1	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-62.4	-53.6	176.2	177.5	62.8	0	0	0	111.4	L85 L175 V179 L182 L209 M212 A216 S217 C218 E222 G223 L224	L85-L220 HydrophobicContact CD1-CD2 4.39Å; L175-L220 HydrophobicContact CB-CD2 4.4Å; L175-L220 HydrophobicContact CD2-CD2 4.39Å; V179-L220 HydrophobicContact CG2-CD1 4.25Å; L182-L220 HydrophobicContact CD2-CD1 3.6Å; L209-L220 HydrophobicContact CD2-CD2 3.99Å; M212-L220 HydrophobicContact CE-CD2 4.39Å; M212-L220 HydrophobicContact SD-CD2 4.45Å; A216-L220 PolarHBondContact O-N 2.98Å; S217-L220 PolarHBondContact O-N 3.06Å; C218-L220 VanDerWaalsContact C-N 3.3Å; C218-L220 PolarHBondContact O-N 3.38Å; L220-E222 VanDerWaalsContact C-N 3.32Å; L220-E222 PolarHBondContact O-N 3.48Å; L220-G223 PolarHBondContact O-N 3.43Å; L220-L224 HydrophobicContact CD1-CD1 3.83Å; L220-L224 HydrophobicContact CD1-CG 4.1Å; L220-L224 HydrophobicContact CG-CD1 4.14Å; L220-L224 WeakPolarHBondContact O-CB 3.45Å; L220-L224 VanDerWaalsContact O-CG 3.24Å; L220-L224 WeakPolarHBondContact O-CG 3.24Å; L220-L224 PolarHBondContact O-N 2.84Å
221	I	98.6	Very high	97.2	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-60.1	-43.5	-178.4	-63.8	164.7	0	0	0	110.7	L209 S217 C218 S225 F276 A279 W281	L209-I221 HydrophobicContact CD1-CD1 3.87Å; L209-I221 HydrophobicContact CD1-CG1 4.16Å; S217-I221 WeakPolarHBondContact O-CD1 3.39Å; S217-I221 WeakPolarHBondContact O-CG1 3.5Å; S217-I221 PolarHBondContact O-N 3.4Å; C218-I221 PolarHBondContact O-N 2.89Å; I221-S225 WeakPolarHBondContact O-CB 3.48Å; I221-S225 PolarHBondContact O-N 3.39Å; I221-S225 VanDerWaalsContact O-N 3.11Å; I221-F276 HydrophobicContact CD1-CE1 4.36Å; I221-F276 HydrophobicContact CD1-CE2 4.37Å; I221-F276 HydrophobicContact CD1-CZ 4.15Å; I221-F276 HydrophobicContact CG1-CE1 4.23Å; I221-F276 HydrophobicContact CG1-CZ 4.37Å; I221-F276 HydrophobicContact CG2-CD1 3.57Å; I221-F276 HydrophobicContact CG2-CE1 3.74Å; I221-F276 HydrophobicContact CG2-CG 4.25Å; I221-A279 HydrophobicContact CB-CB 3.97Å; I221-A279 HydrophobicContact CG2-CB 3.41Å; I221-A279 VanDerWaalsContact CG2-CB 3.41Å; I221-W281 PolarHBondContact O-NE1 2.68Å
222	E	98.5	Very high	97.4	Very high	105 Å²	105	38.7 Å²	38.7	49%	0.491	22%	0.219	S	C	.	.	H	α-helix	trans	-67.7	-48.2	-179.5	-176.6	-178.9	-176.1	0	0	111.6	C218 L220 L224 S225 A226 A279	C218-E222 VanDerWaalsContact O-CB 3.25Å; C218-E222 WeakPolarHBondContact O-CB 3.43Å; C218-E222 PolarHBondContact O-N 3.21Å; L220-E222 VanDerWaalsContact C-N 3.32Å; L220-E222 PolarHBondContact O-N 3.48Å; E222-L224 VanDerWaalsContact C-N 3.33Å; E222-L224 PolarHBondContact O-N 2.7Å; E222-S225 WeakPolarHBondContact O-CB 3.26Å; E222-S225 PolarHBondContact O-N 3.45Å; E222-A226 WeakPolarHBondContact O-CB 3.3Å; E222-A226 PolarHBondContact O-N 2.84Å; E222-A279 WeakPolarHBondContact CA-O 3.42Å; E222-A279 HydrophobicContact CB-CB 4.05Å
223	G	98.6	Very high	97.6	Very high	8 Å²	8	38.4 Å²	38.4	8%	0.082	22%	0.217	C	C	.	.	H	α-helix	trans	-62.8	-38.6	-179.7	0	0	0	0	0	112.9	Q219 L220 N227	Q219-G223 PolarHBondContact O-N 3.46Å; L220-G223 PolarHBondContact O-N 3.43Å; G223-N227 WeakPolarHBondContact O-CB 3.26Å; G223-N227 PolarHBondContact O-N 3.43Å; G223-N227 VanDerWaalsContact O-N 3.15Å; G223-N227 PolarHBondContact O-ND2 3.47Å
224	L	98.7	Very high	97.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.6	-43.8	174.6	-66.5	178.2	0	0	0	111.6	L85 L182 L183 F203 L220 E222 A226 N227 F228 F233 W281	L85-L224 HydrophobicContact CD1-CD1 4.03Å; L182-L224 HydrophobicContact CD2-CD2 4.48Å; L183-L224 HydrophobicContact CD2-CD2 4.37Å; F203-L224 HydrophobicContact CD1-CD1 3.83Å; F203-L224 HydrophobicContact CD1-CD2 4.25Å; F203-L224 HydrophobicContact CD2-CD1 4.34Å; F203-L224 HydrophobicContact CE1-CD1 4.11Å; F203-L224 HydrophobicContact CE1-CD2 3.65Å; F203-L224 HydrophobicContact CE1-CG 4.4Å; F203-L224 HydrophobicContact CE2-CB 4.25Å; F203-L224 HydrophobicContact CE2-CD2 4.34Å; F203-L224 HydrophobicContact CG-CD1 3.98Å; F203-L224 HydrophobicContact CZ-CB 4.46Å; F203-L224 HydrophobicContact CZ-CD1 4.47Å; F203-L224 HydrophobicContact CZ-CD2 3.71Å; F203-L224 HydrophobicContact CZ-CG 4.42Å; L220-L224 HydrophobicContact CD1-CD1 3.83Å; L220-L224 HydrophobicContact CD1-CG 4.1Å; L220-L224 HydrophobicContact CG-CD1 4.14Å; L220-L224 WeakPolarHBondContact O-CB 3.45Å; L220-L224 VanDerWaalsContact O-CG 3.24Å; L220-L224 WeakPolarHBondContact O-CG 3.24Å; L220-L224 PolarHBondContact O-N 2.84Å; E222-L224 VanDerWaalsContact C-N 3.33Å; E222-L224 PolarHBondContact O-N 2.7Å; L224-A226 PolarHBondContact O-N 2.93Å; L224-N227 PolarHBondContact O-N 2.89Å; L224-F228 HydrophobicContact CD2-CD2 4.46Å; L224-F228 HydrophobicContact CD2-CE2 4.26Å; L224-F228 PolarHBondContact O-N 3.47Å; L224-F233 HydrophobicContact CD1-CD2 4.29Å; L224-F233 HydrophobicContact CD1-CE2 3.88Å; L224-W281 HydrophobicContact CB-CZ2 4.48Å
225	S	98.3	Very high	97.9	Very high	10 Å²	10	34.3 Å²	34.3	7%	0.07	19%	0.189	C	C	.	.	H	α-helix	trans	-58.3	-48.6	175.7	-171.3	0	0	0	0	112.2	I221 E222 N227 A279 G280 N330	I221-S225 WeakPolarHBondContact O-CB 3.48Å; I221-S225 PolarHBondContact O-N 3.39Å; I221-S225 VanDerWaalsContact O-N 3.11Å; E222-S225 WeakPolarHBondContact O-CB 3.26Å; E222-S225 PolarHBondContact O-N 3.45Å; S225-N227 VanDerWaalsContact C-N 3.3Å; S225-N227 PolarHBondContact O-N 3.29Å; S225-A279 WeakPolarHBondContact CB-O 3.43Å; S225-G280 VanDerWaalsContact OG-C 3.29Å; S225-G280 PolarHBondContact OG-O 3Å; S225-G280 VanDerWaalsContact OG-O 3.11Å; S225-N330 WeakPolarHBondContact CA-ND2 3.38Å; S225-N330 PolarHBondContact O-ND2 3.31Å; S225-N330 VanDerWaalsContact O-ND2 3.17Å; S225-N330 PolarHBondContact OG-ND2 3.23Å
226	A	98.4	Very high	98.1	Very high	81 Å²	81	28.3 Å²	28.3	67%	0.669	16%	0.161	S	C	*	.	H	α-helix	trans	-67.1	-28.8	-176.8	0	0	0	0	0	113.3	E222 L224	E222-A226 WeakPolarHBondContact O-CB 3.3Å; E222-A226 PolarHBondContact O-N 2.84Å; L224-A226 PolarHBondContact O-N 2.93Å
227	N	98.5	Very high	98.1	Very high	40 Å²	40	27.6 Å²	27.6	21%	0.214	16%	0.155	C	C	.	.	H	α-helix	trans	-98.2	-21.7	-175.2	-77.6	-91.1	0	0	0	114.3	L183 K197 G223 L224 S225 P229	L183-N227 HydrophobicContact CD1-CB 4.02Å; L183-N227 VanDerWaalsContact CD1-CG 3.4Å; L183-N227 VanDerWaalsContact CD1-ND2 3.29Å; L183-N227 WeakPolarHBondContact CD1-ND2 3.46Å; L183-N227 HydrophobicContact CD2-CB 4.09Å; K197-N227 WeakPolarHBondContact CB-O 3.46Å; K197-N227 HydrophobicContact CD-CB 4.27Å; K197-N227 WeakPolarHBondContact CG-O 3.39Å; K197-N227 PolarHBondContact NZ-OD1 3.15Å; G223-N227 WeakPolarHBondContact O-CB 3.26Å; G223-N227 PolarHBondContact O-N 3.43Å; G223-N227 VanDerWaalsContact O-N 3.15Å; G223-N227 PolarHBondContact O-ND2 3.47Å; L224-N227 PolarHBondContact O-N 2.89Å; S225-N227 VanDerWaalsContact C-N 3.3Å; S225-N227 PolarHBondContact O-N 3.29Å; N227-P229 WeakPolarHBondContact O-CD 3.23Å
228	F	98.3	Very high	98.1	Very high	1 Å²	1	27.6 Å²	27.6	0%	0.004	16%	0.155	C	C	.	.			trans	-119.5	88.3	179.4	-65.3	-94.6	0	0	0	110.1	L183 L186 S196 K197 T201 F203 L224 R230 A231	L183-F228 HydrophobicContact CD2-CD2 4.45Å; L183-F228 HydrophobicContact CD2-CE2 3.55Å; L183-F228 HydrophobicContact CD2-CZ 4.32Å; L186-F228 HydrophobicContact CD2-CZ 4.27Å; S196-F228 WeakPolarHBondContact O-CE1 3.29Å; K197-F228 HydrophobicContact CG-CE1 4.21Å; K197-F228 HydrophobicContact CG-CZ 4.28Å; T201-F228 HydrophobicContact CG2-CD1 4.45Å; F203-F228 HydrophobicContact CE2-CB 4.2Å; F203-F228 AromaticContact CE2-CD2 3.98Å; F203-F228 HydrophobicContact CE2-CD2 3.98Å; F203-F228 HydrophobicContact CE2-CG 4.02Å; F203-F228 HydrophobicContact CZ-CD1 4.27Å; F203-F228 AromaticContact CZ-CD2 3.58Å; F203-F228 HydrophobicContact CZ-CD2 3.58Å; F203-F228 HydrophobicContact CZ-CE1 4.35Å; F203-F228 AromaticContact CZ-CE2 3.67Å; F203-F228 HydrophobicContact CZ-CE2 3.67Å; F203-F228 AromaticContact CZ-CG 3.9Å; F203-F228 HydrophobicContact CZ-CG 3.9Å; F203-F228 HydrophobicContact CZ-CZ 4.07Å; L224-F228 HydrophobicContact CD2-CD2 4.46Å; L224-F228 HydrophobicContact CD2-CE2 4.26Å; L224-F228 PolarHBondContact O-N 3.47Å; F228-R230 PolarHBondContact O-N 3.15Å; F228-R230 VanDerWaalsContact O-N 3.17Å; F228-A231 HydrophobicContact CB-CB 3.66Å; F228-A231 VanDerWaalsContact O-CB 3.3Å; F228-A231 WeakPolarHBondContact O-CB 3.42Å; F228-A231 PolarHBondContact O-N 3.3Å
229	P	96.7	Very high	98.1	Very high	80 Å²	80	25 Å²	25	52%	0.519	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.3	-176.1	25.9	-35.2	0	0	0	113.5	N227 N330	N227-P229 WeakPolarHBondContact O-CD 3.23Å; P229-N330 VanDerWaalsContact O-CB 3.32Å; P229-N330 WeakPolarHBondContact O-CB 3.39Å
230	R	97.7	Very high	98.1	Very high	102 Å²	102	23.6 Å²	23.6	39%	0.385	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	59.2	174.7	-58.1	-167.2	72.1	-159	-2	110.5	P200 T201 F228 D331 L334	P200-R230 CarbonylContact C-O 3.47Å; P200-R230 VanDerWaalsContact CA-O 3.23Å; P200-R230 WeakPolarHBondContact CA-O 3.32Å; T201-R230 PolarHBondContact N-O 3.14Å; F228-R230 PolarHBondContact O-N 3.15Å; F228-R230 VanDerWaalsContact O-N 3.17Å; R230-D331 HydrophobicContact CB-CB 4.41Å; R230-D331 IonicContact CZ-OD2 3.48Å; R230-D331 IonicContact NE-OD2 2.76Å; R230-D331 PolarHBondContact NE-OD2 2.86Å; R230-D331 IonicContact NH2-OD2 3.02Å; R230-D331 PolarHBondContact NH2-OD2 3Å; R230-L334 HydrophobicContact CB-CD1 4.36Å; R230-L334 WeakPolarHBondContact O-CD1 3.45Å
231	A	98.2	Very high	97.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	155.4	-179.8	0	0	0	0	0	113.3	T201 F203 F228 W281 T329 N330	T201-A231 CarbonylContact O-C 3.48Å; T201-A231 WeakPolarHBondContact O-CA 3.25Å; T201-A231 WeakPolarHBondContact O-CB 3.25Å; F203-A231 HydrophobicContact CD2-CB 4.24Å; F203-A231 HydrophobicContact CE2-CB 3.94Å; F228-A231 HydrophobicContact CB-CB 3.66Å; F228-A231 VanDerWaalsContact O-CB 3.3Å; F228-A231 WeakPolarHBondContact O-CB 3.42Å; F228-A231 PolarHBondContact O-N 3.3Å; A231-W281 HydrophobicContact CB-CH2 3.83Å; A231-W281 HydrophobicContact CB-CZ3 4.04Å; A231-W281 WeakPolarHBondContact O-CZ3 3.32Å; A231-T329 WeakPolarHBondContact O-CA 3.35Å; A231-T329 PolarHBondContact O-OG1 3.19Å; A231-T329 VanDerWaalsContact O-OG1 3.06Å; A231-N330 PolarHBondContact O-N 3.31Å
232	S	98.4	Very high	97.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	151.4	161.6	-64.8	0	0	0	0	109.6	T201 L202 F203 A328 T329	T201-S232 PolarHBondContact O-N 2.96Å; L202-S232 WeakPolarHBondContact CA-O 3.22Å; F203-S232 PolarHBondContact N-O 2.81Å; S232-A328 CarbonylContact C-O 3.56Å; S232-A328 WeakPolarHBondContact CA-O 3.45Å; S232-A328 WeakPolarHBondContact CB-O 3.29Å; S232-T329 WeakPolarHBondContact OG-CB 3.45Å; S232-T329 PolarHBondContact OG-OG1 3.41Å
233	F	98.7	Very high	97.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	114.7	175.6	-161.2	-69.3	0	0	0	108.6	L85 F203 A205 L209 L224 H235 F276 W281 L327 A328	L85-F233 HydrophobicContact CD1-CE2 3.77Å; L85-F233 HydrophobicContact CD1-CZ 3.89Å; F203-F233 HydrophobicContact CB-CD2 3.59Å; F203-F233 HydrophobicContact CB-CE2 3.96Å; F203-F233 HydrophobicContact CB-CG 4.12Å; F203-F233 HydrophobicContact CG-CD2 4.31Å; F203-F233 CarbonylContact O-C 3.41Å; F203-F233 WeakPolarHBondContact O-CA 3.39Å; A205-F233 HydrophobicContact CB-CE1 3.62Å; A205-F233 HydrophobicContact CB-CZ 3.73Å; L209-F233 HydrophobicContact CD1-CE1 4.42Å; L209-F233 HydrophobicContact CD1-CZ 4.35Å; L224-F233 HydrophobicContact CD1-CD2 4.29Å; L224-F233 HydrophobicContact CD1-CE2 3.88Å; F233-H235 HydrophobicContact CD1-CB 3.93Å; F233-H235 HydrophobicContact CE1-CB 3.84Å; F233-F276 HydrophobicContact CB-CE1 3.83Å; F233-F276 AromaticContact CD1-CE1 3.56Å; F233-F276 HydrophobicContact CD1-CE1 3.56Å; F233-F276 AromaticContact CD1-CZ 3.63Å; F233-F276 HydrophobicContact CD1-CZ 3.63Å; F233-F276 HydrophobicContact CD2-CE1 4.19Å; F233-F276 HydrophobicContact CE1-CE1 4.12Å; F233-F276 AromaticContact CE1-CZ 3.89Å; F233-F276 HydrophobicContact CE1-CZ 3.89Å; F233-F276 AromaticContact CG-CE1 3.6Å; F233-F276 HydrophobicContact CG-CE1 3.6Å; F233-F276 HydrophobicContact CG-CZ 4.17Å; F233-W281 HydrophobicContact CB-CH2 3.58Å; F233-W281 HydrophobicContact CB-CZ2 3.74Å; F233-W281 HydrophobicContact CB-CZ3 4.01Å; F233-W281 HydrophobicContact CD2-CH2 4.36Å; F233-W281 AromaticContact CD2-CZ2 3.93Å; F233-W281 HydrophobicContact CD2-CZ2 3.93Å; F233-W281 HydrophobicContact CG-CH2 4.49Å; F233-W281 HydrophobicContact CG-CZ2 4.28Å; F233-L327 WeakPolarHBondContact O-CA 3.3Å; F233-A328 HydrophobicContact CB-CB 4.41Å; F233-A328 PolarHBondContact N-O 3.08Å; F233-A328 PolarHBondContact O-N 2.86Å
234	L	98.5	Very high	97.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	126.7	175.6	178.2	64.5	0	0	0	109.7	F65 I68 L202 F203 L204 A205 I325 L326 L327	F65-L234 HydrophobicContact CD1-CD2 4.15Å; F65-L234 HydrophobicContact CD2-CD2 4.03Å; F65-L234 HydrophobicContact CD2-CG 4.32Å; F65-L234 HydrophobicContact CE1-CD2 4.32Å; F65-L234 HydrophobicContact CE1-CG 4.29Å; F65-L234 HydrophobicContact CE2-CD1 4.4Å; F65-L234 HydrophobicContact CE2-CD2 4.16Å; F65-L234 HydrophobicContact CE2-CG 3.95Å; F65-L234 HydrophobicContact CG-CD2 4Å; F65-L234 HydrophobicContact CZ-CD2 4.32Å; F65-L234 HydrophobicContact CZ-CG 3.95Å; I68-L234 HydrophobicContact CB-CD2 3.66Å; I68-L234 HydrophobicContact CD1-CD1 3.54Å; I68-L234 HydrophobicContact CD1-CD2 4Å; I68-L234 HydrophobicContact CD1-CG 4.43Å; I68-L234 HydrophobicContact CG1-CD2 4.39Å; I68-L234 HydrophobicContact CG2-CD1 4.16Å; I68-L234 HydrophobicContact CG2-CD2 3.62Å; I68-L234 HydrophobicContact CG2-CG 4.36Å; L202-L234 HydrophobicContact CD1-CB 4.02Å; F203-L234 PolarHBondContact O-N 2.63Å; L204-L234 CarbonylContact C-O 3.59Å; L204-L234 WeakPolarHBondContact CA-O 3.48Å; L204-L234 HydrophobicContact CD2-CB 3.84Å; L204-L234 HydrophobicContact CD2-CD2 3.92Å; L204-L234 HydrophobicContact CD2-CG 4.35Å; A205-L234 PolarHBondContact N-O 3.07Å; L234-I325 HydrophobicContact CD1-CG2 3.61Å; L234-L326 WeakPolarHBondContact CA-O 3.44Å; L234-L327 HydrophobicContact CB-CD1 4.25Å; L234-L327 HydrophobicContact CD1-CB 4.47Å; L234-L327 HydrophobicContact CD1-CD1 4.44Å
235	H	97.2	Very high	97.2	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	138.8	-169.6	173.9	105.5	0	0	0	111.9	A205 L209 F233 E237 F276 I325 L326	A205-H235 CarbonylContact O-C 3.44Å; A205-H235 VanDerWaalsContact O-CA 3.26Å; A205-H235 WeakPolarHBondContact O-CA 3.46Å; L209-H235 VanDerWaalsContact CD1-CE1 3.42Å; L209-H235 WeakPolarHBondContact CD1-CE1 3.27Å; L209-H235 WeakPolarHBondContact CD1-ND1 3.42Å; F233-H235 HydrophobicContact CD1-CB 3.93Å; F233-H235 HydrophobicContact CE1-CB 3.84Å; H235-E237 IonicContact CE1-OE1 2.69Å; H235-E237 PolarHBondContact CE1-OE1 3.01Å; H235-E237 IonicContact CE1-OE2 2.62Å; H235-E237 PolarHBondContact CE1-OE2 2.85Å; H235-E237 WeakPolarHBondContact NE2-CB 3.05Å; H235-E237 IonicContact NE2-OE1 2.7Å; H235-E237 IonicContact NE2-OE2 2.71Å; H235-E237 PolarHBondContact NE2-OE2 3.28Å; H235-F276 HydrophobicContact CB-CZ 4.46Å; H235-I325 CarbonylContact O-C 3.42Å; H235-I325 VanDerWaalsContact O-CA 3.3Å; H235-I325 WeakPolarHBondContact O-CA 3.42Å; H235-L326 PolarHBondContact N-O 3.2Å; H235-L326 PolarHBondContact O-N 3.08Å
236	Y	98.5	Very high	97	Very high	13 Å²	13	31.5 Å²	31.5	5%	0.051	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129	169.6	173.7	-78	0	0	0	109	R61 A205 C207 I289 Y323 C324 I325	R61-Y236 HydrophobicContact CB-CD2 4.07Å; R61-Y236 HydrophobicContact CB-CE2 3.84Å; R61-Y236 HydrophobicContact CG-CD1 4.4Å; R61-Y236 HydrophobicContact CG-CD2 3.7Å; R61-Y236 HydrophobicContact CG-CE2 3.83Å; R61-Y236 HydrophobicContact CG-CG 4.01Å; A205-Y236 PolarHBondContact O-N 3.34Å; C207-Y236 WeakPolarHBondContact CA-O 3.27Å; C207-Y236 PolarHBondContact N-O 2.9Å; C207-Y236 WeakPolarHBondContact SG-CD1 3.15Å; C207-Y236 WeakPolarHBondContact SG-CE1 3.33Å; Y236-I289 HydrophobicContact CD2-CD1 3.92Å; Y236-I289 HydrophobicContact CE2-CD1 3.47Å; Y236-I289 VanDerWaalsContact CE2-CD1 3.47Å; Y236-I289 HydrophobicContact CE2-CG1 3.99Å; Y236-Y323 HydrophobicContact CD1-CD1 4.46Å; Y236-Y323 AromaticContact CE1-CD1 3.41Å; Y236-Y323 HydrophobicContact CE1-CD1 3.41Å; Y236-Y323 VanDerWaalsContact CE1-CD1 3.41Å; Y236-Y323 AromaticContact CE1-CE1 3.94Å; Y236-Y323 HydrophobicContact CE1-CE1 3.94Å; Y236-Y323 HydrophobicContact CE1-CG 4.2Å; Y236-Y323 AromaticContact CZ-CD1 3.46Å; Y236-Y323 VanDerWaalsContact CZ-CD1 3.46Å; Y236-Y323 AromaticContact CZ-CG 3.77Å; Y236-Y323 WeakPolarHBondContact OH-CB 3.27Å; Y236-Y323 WeakPolarHBondContact OH-CD1 3.35Å; Y236-C324 VanDerWaalsContact CA-O 3.28Å; Y236-C324 WeakPolarHBondContact CA-O 3.36Å; Y236-I325 HydrophobicContact CD2-CD1 4.4Å; Y236-I325 HydrophobicContact CD2-CG1 3.8Å
237	E	97.1	Very high	96.9	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	175.8	178.8	-161.2	145.5	-94.3	0	0	111.9	V208 L209 V210 H235 R275 Y323 C324	V208-E237 PolarHBondContact N-OE1 2.9Å; L209-E237 WeakPolarHBondContact CA-OE1 3.34Å; L209-E237 WeakPolarHBondContact CB-OE2 3.46Å; L209-E237 PolarHBondContact N-OE1 3.02Å; V210-E237 HydrophobicContact CB-CG 3.9Å; V210-E237 HydrophobicContact CG1-CG 4.35Å; V210-E237 VanDerWaalsContact N-CD 3.32Å; V210-E237 PolarHBondContact N-OE1 3.2Å; V210-E237 PolarHBondContact N-OE2 3.29Å; H235-E237 IonicContact CE1-OE1 2.69Å; H235-E237 PolarHBondContact CE1-OE1 3.01Å; H235-E237 IonicContact CE1-OE2 2.62Å; H235-E237 PolarHBondContact CE1-OE2 2.85Å; H235-E237 WeakPolarHBondContact NE2-CB 3.05Å; H235-E237 IonicContact NE2-OE1 2.7Å; H235-E237 IonicContact NE2-OE2 2.71Å; H235-E237 PolarHBondContact NE2-OE2 3.28Å; E237-R275 IonicContact OE2-NH1 3.11Å; E237-R275 PolarHBondContact OE2-NH1 3.37Å; E237-Y323 CarbonylContact O-C 3.38Å; E237-Y323 WeakPolarHBondContact O-CA 3.21Å; E237-C324 PolarHBondContact N-O 2.97Å; E237-C324 VanDerWaalsContact N-O 3.16Å; E237-C324 PolarHBondContact O-N 2.97Å
238	Q	97.2	Very high	96.7	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.009	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	150.7	174.4	-66.9	80.9	3.4	0	0	111.9	M241 M249 C266 Q272 H322 Y323	Q238-M241 HydrophobicContact CB-CG 3.84Å; Q238-M241 HydrophobicContact CB-SD 3.75Å; Q238-M241 HydrophobicContact CG-SD 4.11Å; Q238-M249 HydrophobicContact CG-CE 4.23Å; Q238-C266 HydrophobicContact CB-CB 4.39Å; Q238-C266 WeakPolarHBondContact O-CB 3.39Å; Q238-C266 PolarHBondContact O-SG 3.09Å; Q238-Q272 PolarHBondContact O-NE2 3.48Å; Q238-Q272 VanDerWaalsContact O-NE2 3.09Å; Q238-H322 WeakPolarHBondContact CA-O 3.41Å; Q238-Y323 HydrophobicContact CG-CD1 4.13Å; Q238-Y323 HydrophobicContact CG-CE1 3.61Å
239	V	97.7	Very high	96.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.195	C	C	.	.			trans	-149.4	166.2	175.2	74.8	0	0	0	0	109.7	M241 C266 S268 L269 Q272 D321 H322 C324	V239-M241 PolarHBondContact O-N 3.34Å; V239-C266 CarbonylContact C-O 3.44Å; V239-C266 VanDerWaalsContact C-O 3.28Å; V239-C266 WeakPolarHBondContact CA-O 3.2Å; V239-S268 WeakPolarHBondContact CG2-O 3.35Å; V239-L269 HydrophobicContact CG2-CD2 4.15Å; V239-L269 HydrophobicContact CG2-CG 4.24Å; V239-L269 VanDerWaalsContact CG2-N 3.25Å; V239-Q272 HydrophobicContact CG2-CG 4.23Å; V239-D321 WeakPolarHBondContact CG1-O 3.36Å; V239-H322 PolarHBondContact N-O 3.46Å; V239-H322 CarbonylContact O-C 3.53Å; V239-H322 VanDerWaalsContact O-CA 3.24Å; V239-H322 WeakPolarHBondContact O-CA 3.26Å; V239-C324 HydrophobicContact CB-CB 4.12Å; V239-C324 HydrophobicContact CG1-CB 3.91Å
240	N	97.4	Very high	96.4	Very high	48 Å²	48	31.1 Å²	31.1	26%	0.257	17%	0.174	S	C	.	.			trans	58.8	29.4	179.1	-60	-31.6	0	0	0	113.7	S242 C266 H267 D321 H322	N240-S242 PolarHBondContact O-N 3.37Å; N240-C266 PolarHBondContact N-O 2.87Å; N240-H267 VanDerWaalsContact CA-O 3.29Å; N240-H267 WeakPolarHBondContact CA-O 3.49Å; N240-D321 PolarHBondContact ND2-O 3.46Å; N240-H322 PolarHBondContact O-CD2 3.29Å; N240-H322 PolarHBondContact O-NE2 3.5Å
241	M	95.8	Very high	96.3	Very high	10 Å²	10	33.6 Å²	33.6	5%	0.049	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	2.5	-170.8	-64.2	-59.8	-64.2	0	0	115.2	Q238 V239 G246 M249 V250 L263 C266	Q238-M241 HydrophobicContact CB-CG 3.84Å; Q238-M241 HydrophobicContact CB-SD 3.75Å; Q238-M241 HydrophobicContact CG-SD 4.11Å; V239-M241 PolarHBondContact O-N 3.34Å; M241-G246 WeakPolarHBondContact CE-O 3.27Å; M241-M249 HydrophobicContact CE-CB 3.84Å; M241-M249 HydrophobicContact CE-CE 4.28Å; M241-M249 HydrophobicContact CE-SD 4.44Å; M241-M249 HydrophobicContact SD-CE 4.05Å; M241-M249 HydrophobicContact SD-SD 4.2Å; M241-V250 HydrophobicContact CE-CG2 3.55Å; M241-L263 HydrophobicContact CB-CD1 3.81Å; M241-L263 HydrophobicContact CE-CD1 4.07Å; M241-L263 HydrophobicContact CG-CD1 3.84Å; M241-C266 HydrophobicContact CB-CB 4.24Å; M241-C266 HydrophobicContact CG-CB 3.72Å; M241-C266 PolarHBondContact N-O 3.23Å
242	S	93.6	Very high	96	Very high	81 Å²	81	37.6 Å²	37.6	57%	0.566	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-7.4	-176.1	-59.3	0	0	0	0	114.5	N240 H267	N240-S242 PolarHBondContact O-N 3.37Å; S242-H267 PolarHBondContact OG-CD2 3.15Å
243	D	94.9	Very high	95.6	Very high	72 Å²	72	38.8 Å²	38.8	39%	0.385	21%	0.214	S	C	.	.	S	Bend	trans	-90.3	-175.6	179.9	79.2	18.6	0	0	0	112.9	F245 G246 S247 H322	D243-F245 WeakPolarHBondContact OD1-CA 3.25Å; D243-F245 WeakPolarHBondContact OD1-CB 3.37Å; D243-F245 PolarHBondContact OD1-N 3.35Å; D243-G246 PolarHBondContact OD1-N 2.84Å; D243-S247 WeakPolarHBondContact O-CB 3.4Å; D243-S247 PolarHBondContact O-N 3.49Å; D243-S247 PolarHBondContact O-OG 3.12Å; D243-H322 IonicContact OD1-CE1 3.95Å; D243-H322 IonicContact OD1-NE2 3.3Å; D243-H322 PolarHBondContact OD1-NE2 3.13Å; D243-H322 IonicContact OD2-CE1 2.81Å; D243-H322 PolarHBondContact OD2-CE1 3.25Å; D243-H322 IonicContact OD2-NE2 3.49Å; D243-H322 PolarHBondContact OD2-NE2 2.85Å
244	S	95.4	Very high	95.3	Very high	95 Å²	95	45.4 Å²	45.4	66%	0.664	24%	0.239	S	C	*	.	H	α-helix	trans	-65.1	-35.4	178.9	51.4	0	0	0	0	113.5	S247 I248	S244-S247 PolarHBondContact O-N 3.17Å; S244-I248 WeakPolarHBondContact O-CG1 3.4Å; S244-I248 PolarHBondContact O-N 2.82Å
245	F	94.4	Very high	95	Very high	37 Å²	37	49.4 Å²	49.4	16%	0.162	27%	0.272	C	S	.	.	H	α-helix	trans	-71.6	-46.5	178.5	-173	-82.6	0	0	0	110.1	D243 S247 I248 M249 V315 Q318 L319 H322	D243-F245 WeakPolarHBondContact OD1-CA 3.25Å; D243-F245 WeakPolarHBondContact OD1-CB 3.37Å; D243-F245 PolarHBondContact OD1-N 3.35Å; F245-S247 VanDerWaalsContact C-N 3.27Å; F245-S247 PolarHBondContact O-N 3.19Å; F245-I248 WeakPolarHBondContact O-CB 3.17Å; F245-I248 PolarHBondContact O-N 3.19Å; F245-M249 HydrophobicContact CD1-CG 4.04Å; F245-M249 HydrophobicContact CD1-SD 3.67Å; F245-M249 HydrophobicContact CE1-CG 3.85Å; F245-M249 HydrophobicContact CE1-SD 3.45Å; F245-M249 WeakPolarHBondContact CE1-SD 3.09Å; F245-M249 PolarHBondContact O-N 2.9Å; F245-V315 HydrophobicContact CE2-CG1 4.43Å; F245-Q318 HydrophobicContact CD2-CB 4.02Å; F245-Q318 HydrophobicContact CE2-CB 4Å; F245-Q318 HydrophobicContact CG-CB 4.47Å; F245-Q318 HydrophobicContact CZ-CB 4.41Å; F245-L319 HydrophobicContact CE1-CB 4.35Å; F245-L319 HydrophobicContact CE1-CD1 4.17Å; F245-L319 HydrophobicContact CZ-CB 3.95Å; F245-L319 HydrophobicContact CZ-CD1 4.22Å; F245-H322 HydrophobicContact CD1-CB 4.37Å; F245-H322 AromaticContact CD1-CD2 3.81Å; F245-H322 AromaticContact CD1-CE1 3.49Å; F245-H322 VanDerWaalsContact CD1-CE1 3.49Å; F245-H322 WeakPolarHBondContact CD1-CE1 3.33Å; F245-H322 AromaticContact CD1-CG 3.6Å; F245-H322 AromaticContact CD1-ND1 3.41Å; F245-H322 WeakPolarHBondContact CD1-ND1 3.42Å; F245-H322 AromaticContact CD1-NE2 3.7Å; F245-H322 HydrophobicContact CE1-CB 4.36Å; F245-H322 AromaticContact CE1-ND1 3.94Å; F245-H322 AromaticContact CG-CE1 3.85Å
246	G	95.1	Very high	94.6	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-54.2	-42.8	171	0	0	0	0	0	112.5	M241 D243 I248 M249 V250 H322	M241-G246 WeakPolarHBondContact CE-O 3.27Å; D243-G246 PolarHBondContact OD1-N 2.84Å; G246-I248 VanDerWaalsContact C-N 3.33Å; G246-I248 PolarHBondContact O-N 3.12Å; G246-M249 WeakPolarHBondContact O-CB 3.42Å; G246-M249 PolarHBondContact O-N 3.4Å; G246-M249 VanDerWaalsContact O-N 3.15Å; G246-V250 WeakPolarHBondContact O-CG2 3.31Å; G246-V250 PolarHBondContact O-N 3.27Å; G246-H322 PolarHBondContact N-NE2 3.5Å
247	S	95.1	Very high	94.2	Very high	69 Å²	69	59.5 Å²	59.5	48%	0.483	32%	0.324	S	S	.	.	H	α-helix	trans	-60.7	-39.2	176	-63	0	0	0	0	113	D243 S244 F245 K251	D243-S247 WeakPolarHBondContact O-CB 3.4Å; D243-S247 PolarHBondContact O-N 3.49Å; D243-S247 PolarHBondContact O-OG 3.12Å; S244-S247 PolarHBondContact O-N 3.17Å; F245-S247 VanDerWaalsContact C-N 3.27Å; F245-S247 PolarHBondContact O-N 3.19Å; S247-K251 WeakPolarHBondContact O-CB 3.48Å; S247-K251 PolarHBondContact O-N 3.4Å
248	I	94.9	Very high	93.8	Very high	97 Å²	97	59.9 Å²	59.9	50%	0.497	33%	0.326	S	S	.	.	H	α-helix	trans	-66.7	-43.4	174.4	-67.3	165.2	0	0	0	110.5	S244 F245 G246 V250 K251 N252	S244-I248 WeakPolarHBondContact O-CG1 3.4Å; S244-I248 PolarHBondContact O-N 2.82Å; F245-I248 WeakPolarHBondContact O-CB 3.17Å; F245-I248 PolarHBondContact O-N 3.19Å; G246-I248 VanDerWaalsContact C-N 3.33Å; G246-I248 PolarHBondContact O-N 3.12Å; I248-V250 PolarHBondContact O-N 3.48Å; I248-K251 WeakPolarHBondContact O-CB 3.3Å; I248-K251 PolarHBondContact O-N 3.3Å; I248-N252 VanDerWaalsContact O-CG 3.26Å; I248-N252 PolarHBondContact O-N 3.36Å; I248-N252 PolarHBondContact O-ND2 2.96Å
249	M	94.2	Very high	93.5	Very high	15 Å²	15	65 Å²	65	7%	0.074	35%	0.35	C	S	.	.	H	α-helix	trans	-57.9	-48.3	175.7	-71.3	176.4	62.2	0	0	111.5	Q238 M241 F245 G246 K251 N252 F253 H322 Y323	Q238-M249 HydrophobicContact CG-CE 4.23Å; M241-M249 HydrophobicContact CE-CB 3.84Å; M241-M249 HydrophobicContact CE-CE 4.28Å; M241-M249 HydrophobicContact CE-SD 4.44Å; M241-M249 HydrophobicContact SD-CE 4.05Å; M241-M249 HydrophobicContact SD-SD 4.2Å; F245-M249 HydrophobicContact CD1-CG 4.04Å; F245-M249 HydrophobicContact CD1-SD 3.67Å; F245-M249 HydrophobicContact CE1-CG 3.85Å; F245-M249 HydrophobicContact CE1-SD 3.45Å; F245-M249 WeakPolarHBondContact CE1-SD 3.09Å; F245-M249 PolarHBondContact O-N 2.9Å; G246-M249 WeakPolarHBondContact O-CB 3.42Å; G246-M249 PolarHBondContact O-N 3.4Å; G246-M249 VanDerWaalsContact O-N 3.15Å; M249-K251 VanDerWaalsContact C-N 3.33Å; M249-K251 PolarHBondContact O-N 3.4Å; M249-N252 WeakPolarHBondContact O-CB 3.37Å; M249-N252 PolarHBondContact O-N 3.4Å; M249-N252 VanDerWaalsContact O-N 3.12Å; M249-F253 WeakPolarHBondContact O-CD2 3.24Å; M249-F253 PolarHBondContact O-N 2.97Å; M249-H322 HydrophobicContact CE-CB 4.12Å; M249-H322 HydrophobicContact SD-CB 3.56Å; M249-H322 VanDerWaalsContact SD-CB 3.56Å; M249-Y323 HydrophobicContact CE-CD2 4.37Å; M249-Y323 HydrophobicContact CE-CE2 3.49Å; M249-Y323 VanDerWaalsContact CE-CE2 3.49Å
250	V	94.1	Very high	93.3	Very high	12 Å²	12	65.7 Å²	65.7	7%	0.073	35%	0.354	C	S	.	.	H	α-helix	trans	-59.3	-44.3	177.2	175	0	0	0	0	111	M241 G246 I248 N252 F253 R254 L263	M241-V250 HydrophobicContact CE-CG2 3.55Å; G246-V250 WeakPolarHBondContact O-CG2 3.31Å; G246-V250 PolarHBondContact O-N 3.27Å; I248-V250 PolarHBondContact O-N 3.48Å; V250-N252 VanDerWaalsContact C-N 3.29Å; V250-N252 PolarHBondContact O-N 2.96Å; V250-F253 PolarHBondContact O-N 2.88Å; V250-R254 HydrophobicContact CG1-CG 4.47Å; V250-R254 PolarHBondContact O-N 3Å; V250-L263 HydrophobicContact CG1-CD2 4.21Å; V250-L263 HydrophobicContact CG2-CD1 4.07Å; V250-L263 HydrophobicContact CG2-CD2 3.62Å
251	K	95	Very high	93.1	Very high	154 Å²	154	66.3 Å²	66.3	67%	0.67	36%	0.36	S	S	*	.	H	α-helix	trans	-59.4	-41.1	176.1	-173.8	-179.6	178.2	-177.2	0	111.7	S247 I248 M249 R254 A255	S247-K251 WeakPolarHBondContact O-CB 3.48Å; S247-K251 PolarHBondContact O-N 3.4Å; I248-K251 WeakPolarHBondContact O-CB 3.3Å; I248-K251 PolarHBondContact O-N 3.3Å; M249-K251 VanDerWaalsContact C-N 3.33Å; M249-K251 PolarHBondContact O-N 3.4Å; K251-R254 PolarHBondContact O-N 2.97Å; K251-A255 VanDerWaalsContact O-CB 3.32Å; K251-A255 WeakPolarHBondContact O-CB 3.32Å; K251-A255 PolarHBondContact O-N 3.16Å
252	N	92.1	Very high	93	Very high	84 Å²	84	65.9 Å²	65.9	45%	0.449	36%	0.358	S	S	.	.	H	α-helix	trans	-68.4	-31.6	178	-69.5	-17.6	0	0	0	113.1	I248 M249 V250 R256	I248-N252 VanDerWaalsContact O-CG 3.26Å; I248-N252 PolarHBondContact O-N 3.36Å; I248-N252 PolarHBondContact O-ND2 2.96Å; M249-N252 WeakPolarHBondContact O-CB 3.37Å; M249-N252 PolarHBondContact O-N 3.4Å; M249-N252 VanDerWaalsContact O-N 3.12Å; V250-N252 VanDerWaalsContact C-N 3.29Å; V250-N252 PolarHBondContact O-N 2.96Å; N252-R256 PolarHBondContact O-NE 3.03Å
253	F	91.5	Very high	93	Very high	26 Å²	26	63.4 Å²	63.4	11%	0.114	34%	0.338	C	S	.	.	H	α-helix	trans	-70.1	-49.3	171.5	-76.4	-68.9	0	0	0	111.5	M249 V250 A255 R256 C258 L260	M249-F253 WeakPolarHBondContact O-CD2 3.24Å; M249-F253 PolarHBondContact O-N 2.97Å; V250-F253 PolarHBondContact O-N 2.88Å; F253-A255 VanDerWaalsContact C-N 3.31Å; F253-A255 PolarHBondContact O-N 2.85Å; F253-R256 CarbonylContact O-C 3.57Å; F253-R256 WeakPolarHBondContact O-CA 3.27Å; F253-R256 PolarHBondContact O-N 3.39Å; F253-C258 CarbonylContact C-O 3.58Å; F253-C258 HydrophobicContact CB-CB 4.35Å; F253-C258 HydrophobicContact CD1-CB 4.34Å; F253-C258 WeakPolarHBondContact O-CB 3.25Å; F253-C258 PolarHBondContact O-N 2.79Å; F253-C258 VanDerWaalsContact O-N 3.08Å; F253-L260 HydrophobicContact CB-CD1 4.11Å; F253-L260 HydrophobicContact CB-CG 4.39Å; F253-L260 HydrophobicContact CD2-CD1 3.71Å; F253-L260 HydrophobicContact CE2-CD1 4.33Å; F253-L260 HydrophobicContact CG-CD1 3.97Å
254	R	92.4	Very high	92.9	Very high	139 Å²	139	65.2 Å²	65.2	53%	0.525	35%	0.348	S	S	.	.	H	α-helix	trans	-62.9	-34.2	178.9	-71.4	-179.6	174.2	151.5	3.2	113.5	V250 K251 R256 S257 E259	V250-R254 HydrophobicContact CG1-CG 4.47Å; V250-R254 PolarHBondContact O-N 3Å; K251-R254 PolarHBondContact O-N 2.97Å; R254-R256 PolarHBondContact O-N 3.25Å; R254-R256 VanDerWaalsContact O-N 3.15Å; R254-S257 PolarHBondContact O-N 3.09Å; R254-E259 IonicContact NE-OE2 3.59Å
255	A	92.4	Very high	92.7	Very high	84 Å²	84	61.4 Å²	61.4	69%	0.694	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.5	173.8	0	0	0	0	0	113.4	K251 F253	K251-A255 VanDerWaalsContact O-CB 3.32Å; K251-A255 WeakPolarHBondContact O-CB 3.32Å; K251-A255 PolarHBondContact O-N 3.16Å; F253-A255 VanDerWaalsContact C-N 3.31Å; F253-A255 PolarHBondContact O-N 2.85Å
256	R	87.9	Confident	92.8	Very high	139 Å²	139	59.6 Å²	59.6	53%	0.525	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	18.2	174.5	-65.8	176.8	-76	169.2	-0.2	112.2	N252 F253 R254 C258	N252-R256 PolarHBondContact O-NE 3.03Å; F253-R256 CarbonylContact O-C 3.57Å; F253-R256 WeakPolarHBondContact O-CA 3.27Å; F253-R256 PolarHBondContact O-N 3.39Å; R254-R256 PolarHBondContact O-N 3.25Å; R254-R256 VanDerWaalsContact O-N 3.15Å; R256-C258 PolarHBondContact O-N 3.46Å; R256-C258 VanDerWaalsContact O-N 3.09Å
257	S	89.8	Confident	92.8	Very high	86 Å²	86	63.6 Å²	63.6	60%	0.601	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	19.7	-176.1	-52.1	0	0	0	0	114.1	R254 E259	R254-S257 PolarHBondContact O-N 3.09Å; S257-E259 PolarHBondContact O-N 2.9Å
258	C	89.4	Confident	92.9	Very high	7 Å²	7	62.1 Å²	62.1	5%	0.047	32%	0.322	C	S	.	.			trans	-93.5	97.7	178.5	-174.7	0	0	0	0	108.9	I14 F253 R256	I14-C258 HydrophobicContact CG2-CB 4.1Å; F253-C258 CarbonylContact C-O 3.58Å; F253-C258 HydrophobicContact CB-CB 4.35Å; F253-C258 HydrophobicContact CD1-CB 4.34Å; F253-C258 WeakPolarHBondContact O-CB 3.25Å; F253-C258 PolarHBondContact O-N 2.79Å; F253-C258 VanDerWaalsContact O-N 3.08Å; R256-C258 PolarHBondContact O-N 3.46Å; R256-C258 VanDerWaalsContact O-N 3.09Å
259	E	89.9	Confident	93	Very high	111 Å²	111	59 Å²	59	52%	0.519	31%	0.306	S	S	.	.			trans	-78.2	147.1	173.5	-69.4	-57.5	146	0	0	111.5	R254 S257 P261	R254-E259 IonicContact NE-OE2 3.59Å; S257-E259 PolarHBondContact O-N 2.9Å; E259-P261 VanDerWaalsContact C-CD 3.48Å; E259-P261 WeakPolarHBondContact O-CD 3.37Å
260	L	92.9	Very high	93.2	Very high	14 Å²	14	61.1 Å²	61.1	7%	0.073	33%	0.327	C	S	.	.			trans	-121.8	71.9	-176.8	-59.9	-179.1	0	0	0	109.6	V210 Y211 F253 G262 L263	V210-L260 HydrophobicContact CG1-CD2 4.24Å; V210-L260 HydrophobicContact CG2-CB 3.9Å; V210-L260 HydrophobicContact CG2-CD1 4.44Å; V210-L260 HydrophobicContact CG2-CD2 3.87Å; V210-L260 HydrophobicContact CG2-CG 4.27Å; V210-L260 CarbonylContact O-C 3.43Å; Y211-L260 HydrophobicContact CD1-CD2 4.36Å; Y211-L260 HydrophobicContact CE1-CD2 4.08Å; F253-L260 HydrophobicContact CB-CD1 4.11Å; F253-L260 HydrophobicContact CB-CG 4.39Å; F253-L260 HydrophobicContact CD2-CD1 3.71Å; F253-L260 HydrophobicContact CE2-CD1 4.33Å; F253-L260 HydrophobicContact CG-CD1 3.97Å; L260-G262 PolarHBondContact O-N 2.81Å; L260-G262 VanDerWaalsContact O-N 3.17Å; L260-L263 HydrophobicContact CB-CB 4.2Å; L260-L263 HydrophobicContact CD1-CD1 4.37Å; L260-L263 WeakPolarHBondContact O-CB 3.14Å; L260-L263 PolarHBondContact O-N 3.19Å; L260-L263 VanDerWaalsContact O-N 3.08Å
261	P	93.9	Very high	93.3	Very high	61 Å²	61	62.3 Å²	62.3	40%	0.396	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.4	-176.8	25.3	-35.6	0	0	0	113.4	V210 Y211 M212 P214 E259 L263	V210-P261 VanDerWaalsContact O-CD 3.26Å; V210-P261 WeakPolarHBondContact O-CD 3.13Å; Y211-P261 VanDerWaalsContact C-CG 3.5Å; Y211-P261 WeakPolarHBondContact O-CG 3.33Å; M212-P261 CarbonylContact O-C 3.07Å; P214-P261 WeakPolarHBondContact CD-O 3.3Å; E259-P261 VanDerWaalsContact C-CD 3.48Å; E259-P261 WeakPolarHBondContact O-CD 3.37Å; P261-L263 VanDerWaalsContact C-N 3.29Å; P261-L263 PolarHBondContact O-N 3.02Å
262	G	94.8	Very high	93.3	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	7.5	177.6	0	0	0	0	0	114.6	V210 M212 L260 D264 A265	V210-G262 PolarHBondContact O-N 3.3Å; M212-G262 WeakPolarHBondContact O-CA 3.46Å; M212-G262 PolarHBondContact O-N 3.29Å; L260-G262 PolarHBondContact O-N 2.81Å; L260-G262 VanDerWaalsContact O-N 3.17Å; G262-D264 PolarHBondContact O-N 3.48Å; G262-A265 PolarHBondContact O-N 3.4Å; G262-A265 VanDerWaalsContact O-N 3.13Å
263	L	93.6	Very high	93.6	Very high	30 Å²	30	52.6 Å²	52.6	16%	0.157	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-59.3	-30.6	-173.4	-172.4	67.8	0	0	0	113.7	M241 V250 L260 P261 A265 C266	M241-L263 HydrophobicContact CB-CD1 3.81Å; M241-L263 HydrophobicContact CE-CD1 4.07Å; M241-L263 HydrophobicContact CG-CD1 3.84Å; V250-L263 HydrophobicContact CG1-CD2 4.21Å; V250-L263 HydrophobicContact CG2-CD1 4.07Å; V250-L263 HydrophobicContact CG2-CD2 3.62Å; L260-L263 HydrophobicContact CB-CB 4.2Å; L260-L263 HydrophobicContact CD1-CD1 4.37Å; L260-L263 WeakPolarHBondContact O-CB 3.14Å; L260-L263 PolarHBondContact O-N 3.19Å; L260-L263 VanDerWaalsContact O-N 3.08Å; P261-L263 VanDerWaalsContact C-N 3.29Å; P261-L263 PolarHBondContact O-N 3.02Å; L263-A265 PolarHBondContact O-N 2.76Å; L263-A265 VanDerWaalsContact O-N 3.08Å; L263-C266 HydrophobicContact CD1-CB 4.3Å; L263-C266 VanDerWaalsContact O-CB 3.3Å; L263-C266 WeakPolarHBondContact O-CB 3.47Å; L263-C266 PolarHBondContact O-N 3.34Å
264	D	91.1	Very high	93.9	Very high	109 Å²	109	55.6 Å²	55.6	58%	0.583	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-58.9	-22.8	178.6	-68.4	-9.5	0	0	0	113.1	P214 G262 C266 H267	P214-D264 HydrophobicContact CG-CB 4.4Å; G262-D264 PolarHBondContact O-N 3.48Å; D264-C266 VanDerWaalsContact C-N 3.33Å; D264-H267 PolarHBondContact O-CE1 3Å; D264-H267 PolarHBondContact O-ND1 2.95Å; D264-H267 VanDerWaalsContact O-ND1 3.08Å
265	A	92.4	Very high	94.1	Very high	15 Å²	15	50.5 Å²	50.5	12%	0.124	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-81.2	-12.1	175.5	0	0	0	0	0	113.3	G262 L263 T271	G262-A265 PolarHBondContact O-N 3.4Å; G262-A265 VanDerWaalsContact O-N 3.13Å; L263-A265 PolarHBondContact O-N 2.76Å; L263-A265 VanDerWaalsContact O-N 3.08Å; A265-T271 PolarHBondContact O-OG1 3.34Å; A265-T271 VanDerWaalsContact O-OG1 3.1Å
266	C	96	Very high	94.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.25	C	S	.	.			trans	-97.7	17.6	-168.9	-55.7	0	0	0	0	113.8	Q238 V239 N240 M241 L263 D264	Q238-C266 HydrophobicContact CB-CB 4.39Å; Q238-C266 WeakPolarHBondContact O-CB 3.39Å; Q238-C266 PolarHBondContact O-SG 3.09Å; V239-C266 CarbonylContact C-O 3.44Å; V239-C266 VanDerWaalsContact C-O 3.28Å; V239-C266 WeakPolarHBondContact CA-O 3.2Å; N240-C266 PolarHBondContact N-O 2.87Å; M241-C266 HydrophobicContact CB-CB 4.24Å; M241-C266 HydrophobicContact CG-CB 3.72Å; M241-C266 PolarHBondContact N-O 3.23Å; L263-C266 HydrophobicContact CD1-CB 4.3Å; L263-C266 VanDerWaalsContact O-CB 3.3Å; L263-C266 WeakPolarHBondContact O-CB 3.47Å; L263-C266 PolarHBondContact O-N 3.34Å; D264-C266 VanDerWaalsContact C-N 3.33Å
267	H	95.9	Very high	94.8	Very high	84 Å²	84	44.5 Å²	44.5	39%	0.389	25%	0.246	S	C	.	.	S	Bend	trans	-65.8	-39.2	-176.8	-63.1	142.7	0	0	0	113.7	N240 S242 D264 T271	N240-H267 VanDerWaalsContact CA-O 3.29Å; N240-H267 WeakPolarHBondContact CA-O 3.49Å; S242-H267 PolarHBondContact OG-CD2 3.15Å; D264-H267 PolarHBondContact O-CE1 3Å; D264-H267 PolarHBondContact O-ND1 2.95Å; D264-H267 VanDerWaalsContact O-ND1 3.08Å; H267-T271 HydrophobicContact CB-CG2 3.99Å; H267-T271 PolarHBondContact N-OG1 2.88Å
268	S	96.8	Very high	95.2	Very high	37 Å²	37	47.4 Å²	47.4	26%	0.259	25%	0.247	S	C	.	.			trans	-160.9	170.3	179.9	66.2	0	0	0	0	111.8	V239 A270 T271 Q272	V239-S268 WeakPolarHBondContact CG2-O 3.35Å; S268-A270 PolarHBondContact O-N 2.98Å; S268-A270 PolarHBondContact OG-N 2.93Å; S268-T271 PolarHBondContact N-OG1 3.48Å; S268-T271 PolarHBondContact O-N 3.24Å; S268-T271 PolarHBondContact O-OG1 3.22Å; S268-T271 PolarHBondContact OG-N 3.37Å; S268-Q272 PolarHBondContact O-N 2.98Å; S268-Q272 VanDerWaalsContact O-N 3.09Å
269	L	97.6	Very high	95.6	Very high	31 Å²	31	47.1 Å²	47.1	16%	0.162	25%	0.246	C	C	.	.	H	α-helix	trans	-58.1	-36.4	170.7	-73.5	176.6	0	0	0	111.5	V239 T271 Q272 E273 T288 C324	V239-L269 HydrophobicContact CG2-CD2 4.15Å; V239-L269 HydrophobicContact CG2-CG 4.24Å; V239-L269 VanDerWaalsContact CG2-N 3.25Å; L269-T271 PolarHBondContact O-N 2.82Å; L269-Q272 CarbonylContact O-C 3.28Å; L269-Q272 PolarHBondContact O-N 3.5Å; L269-E273 WeakPolarHBondContact O-CG 3.5Å; L269-E273 PolarHBondContact O-N 3.08Å; L269-T288 HydrophobicContact CD1-CG2 3.87Å; L269-T288 HydrophobicContact CG-CG2 4.3Å; L269-C324 HydrophobicContact CD2-CB 3.45Å; L269-C324 VanDerWaalsContact CD2-CB 3.45Å
270	A	97.1	Very high	96	Very high	61 Å²	61	44.1 Å²	44.1	50%	0.504	25%	0.245	S	C	.	.	H	α-helix	trans	-64.5	-39.5	178.5	0	0	0	0	0	111.8	S268 E273 E274	S268-A270 PolarHBondContact O-N 2.98Å; S268-A270 PolarHBondContact OG-N 2.93Å; A270-E273 PolarHBondContact O-N 2.89Å; A270-E274 WeakPolarHBondContact O-CB 3.28Å; A270-E274 PolarHBondContact O-N 3.43Å
271	T	96	Very high	96.2	Very high	36 Å²	36	43.7 Å²	43.7	22%	0.221	24%	0.242	C	C	.	.	H	α-helix	trans	-69.9	-35	175.9	57.7	0	0	0	0	112.1	A265 H267 S268 L269 R275	A265-T271 PolarHBondContact O-OG1 3.34Å; A265-T271 VanDerWaalsContact O-OG1 3.1Å; H267-T271 HydrophobicContact CB-CG2 3.99Å; H267-T271 PolarHBondContact N-OG1 2.88Å; S268-T271 PolarHBondContact N-OG1 3.48Å; S268-T271 PolarHBondContact O-N 3.24Å; S268-T271 PolarHBondContact O-OG1 3.22Å; S268-T271 PolarHBondContact OG-N 3.37Å; L269-T271 PolarHBondContact O-N 2.82Å; T271-R275 PolarHBondContact O-N 3.5Å; T271-R275 VanDerWaalsContact O-N 3.12Å
272	Q	96.8	Very high	96.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-67.3	-37.9	172.1	-71.2	-73	13.2	0	0	112	Q238 V239 S268 L269 R275 F276 L326	Q238-Q272 PolarHBondContact O-NE2 3.48Å; Q238-Q272 VanDerWaalsContact O-NE2 3.09Å; V239-Q272 HydrophobicContact CG2-CG 4.23Å; S268-Q272 PolarHBondContact O-N 2.98Å; S268-Q272 VanDerWaalsContact O-N 3.09Å; L269-Q272 CarbonylContact O-C 3.28Å; L269-Q272 PolarHBondContact O-N 3.5Å; Q272-R275 VanDerWaalsContact O-CG 3.27Å; Q272-R275 WeakPolarHBondContact O-CG 3.45Å; Q272-F276 VanDerWaalsContact O-CD2 3.32Å; Q272-F276 WeakPolarHBondContact O-CD2 3.32Å; Q272-L326 VanDerWaalsContact C-CD1 3.48Å; Q272-L326 HydrophobicContact CB-CD1 3.87Å; Q272-L326 VanDerWaalsContact O-CD1 3.3Å; Q272-L326 WeakPolarHBondContact O-CD1 3.47Å
273	E	97.8	Very high	96.5	Very high	34 Å²	34	52.1 Å²	52.1	16%	0.159	27%	0.273	C	S	.	.	H	α-helix	trans	-69.8	-43.8	174.1	-70.2	173.6	172.8	0	0	111	L269 A270 R275 F276 F277 A284 K285 G286 L326	L269-E273 WeakPolarHBondContact O-CG 3.5Å; L269-E273 PolarHBondContact O-N 3.08Å; A270-E273 PolarHBondContact O-N 2.89Å; E273-R275 PolarHBondContact O-N 2.95Å; E273-F276 PolarHBondContact O-N 3.04Å; E273-F277 HydrophobicContact CB-CD2 4.45Å; E273-F277 HydrophobicContact CB-CE2 4.08Å; E273-F277 WeakPolarHBondContact O-CD2 2.89Å; E273-F277 PolarHBondContact O-N 2.98Å; E273-F277 VanDerWaalsContact O-N 3.17Å; E273-A284 HydrophobicContact CB-CB 4.37Å; E273-K285 IonicContact OE1-NZ 2.8Å; E273-K285 PolarHBondContact OE1-NZ 3.09Å; E273-G286 PolarHBondContact OE1-N 2.94Å; E273-L326 HydrophobicContact CG-CD1 4.01Å
274	E	97.2	Very high	96.6	Very high	90 Å²	90	51.1 Å²	51.1	42%	0.421	27%	0.269	S	S	.	.	H	α-helix	trans	-63.4	-37	-176.9	-169.6	177.4	-174.4	0	0	113.5	A270 F276 F277 K278	A270-E274 WeakPolarHBondContact O-CB 3.28Å; A270-E274 PolarHBondContact O-N 3.43Å; E274-F276 VanDerWaalsContact C-N 3.26Å; E274-F276 PolarHBondContact O-N 3.1Å; E274-F277 PolarHBondContact O-N 3.04Å; E274-K278 HydrophobicContact CG-CD 4.05Å; E274-K278 HydrophobicContact CG-CG 4.27Å; E274-K278 WeakPolarHBondContact O-CB 3.4Å; E274-K278 WeakPolarHBondContact O-CG 3.34Å; E274-K278 PolarHBondContact O-N 2.63Å; E274-K278 WeakPolarHBondContact OE1-CE 3.46Å; E274-K278 IonicContact OE1-NZ 3.46Å; E274-K278 PolarHBondContact OE1-NZ 3.11Å; E274-K278 IonicContact OE2-NZ 3.85Å
275	R	97	Very high	96.9	Very high	32 Å²	32	50.6 Å²	50.6	12%	0.121	26%	0.261	C	S	.	.	H	α-helix	trans	-61.8	-34.5	176.7	73.1	-171.4	-69.3	-167.5	3	112.2	S217 E237 T271 Q272 E273 A279	S217-R275 PolarHBondContact OG-NH2 2.95Å; S217-R275 VanDerWaalsContact OG-NH2 3.08Å; E237-R275 IonicContact OE2-NH1 3.11Å; E237-R275 PolarHBondContact OE2-NH1 3.37Å; T271-R275 PolarHBondContact O-N 3.5Å; T271-R275 VanDerWaalsContact O-N 3.12Å; Q272-R275 VanDerWaalsContact O-CG 3.27Å; Q272-R275 WeakPolarHBondContact O-CG 3.45Å; E273-R275 PolarHBondContact O-N 2.95Å; R275-A279 VanDerWaalsContact O-CB 3.24Å; R275-A279 WeakPolarHBondContact O-CB 3.49Å; R275-A279 PolarHBondContact O-N 3.27Å; R275-A279 VanDerWaalsContact O-N 3.12Å
276	F	98.1	Very high	97.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-74.6	-42.4	177	-80.3	-91.2	0	0	0	110.9	I221 F233 H235 Q272 E273 E274 K278 A279 G280 W281 A284 L326 A328	I221-F276 HydrophobicContact CD1-CE1 4.36Å; I221-F276 HydrophobicContact CD1-CE2 4.37Å; I221-F276 HydrophobicContact CD1-CZ 4.15Å; I221-F276 HydrophobicContact CG1-CE1 4.23Å; I221-F276 HydrophobicContact CG1-CZ 4.37Å; I221-F276 HydrophobicContact CG2-CD1 3.57Å; I221-F276 HydrophobicContact CG2-CE1 3.74Å; I221-F276 HydrophobicContact CG2-CG 4.25Å; F233-F276 HydrophobicContact CB-CE1 3.83Å; F233-F276 AromaticContact CD1-CE1 3.56Å; F233-F276 HydrophobicContact CD1-CE1 3.56Å; F233-F276 AromaticContact CD1-CZ 3.63Å; F233-F276 HydrophobicContact CD1-CZ 3.63Å; F233-F276 HydrophobicContact CD2-CE1 4.19Å; F233-F276 HydrophobicContact CE1-CE1 4.12Å; F233-F276 AromaticContact CE1-CZ 3.89Å; F233-F276 HydrophobicContact CE1-CZ 3.89Å; F233-F276 AromaticContact CG-CE1 3.6Å; F233-F276 HydrophobicContact CG-CE1 3.6Å; F233-F276 HydrophobicContact CG-CZ 4.17Å; H235-F276 HydrophobicContact CB-CZ 4.46Å; Q272-F276 VanDerWaalsContact O-CD2 3.32Å; Q272-F276 WeakPolarHBondContact O-CD2 3.32Å; E273-F276 PolarHBondContact O-N 3.04Å; E274-F276 VanDerWaalsContact C-N 3.26Å; E274-F276 PolarHBondContact O-N 3.1Å; F276-K278 PolarHBondContact O-N 3.32Å; F276-A279 CarbonylContact O-C 3.44Å; F276-A279 PolarHBondContact O-N 3.28Å; F276-G280 PolarHBondContact O-N 3.09Å; F276-W281 HydrophobicContact CB-CB 4.17Å; F276-W281 HydrophobicContact CB-CG 4.25Å; F276-W281 AromaticContact CD1-CD1 3.69Å; F276-W281 HydrophobicContact CD1-CD2 4.22Å; F276-W281 AromaticContact CD1-CG 3.95Å; F276-W281 HydrophobicContact CD1-CG 3.95Å; F276-W281 AromaticContact CD1-NE1 3.81Å; F276-W281 WeakPolarHBondContact O-CB 3.46Å; F276-W281 PolarHBondContact O-N 3.22Å; F276-A284 HydrophobicContact CB-CB 3.82Å; F276-L326 HydrophobicContact CD2-CD1 4.21Å; F276-L326 HydrophobicContact CD2-CD2 3.63Å; F276-L326 HydrophobicContact CE2-CD1 4.43Å; F276-L326 HydrophobicContact CE2-CD2 3.64Å; F276-L326 HydrophobicContact CG-CD2 4.1Å; F276-L326 HydrophobicContact CZ-CD2 4.1Å; F276-A328 HydrophobicContact CB-CB 4Å; F276-A328 HydrophobicContact CD1-CB 3.42Å; F276-A328 VanDerWaalsContact CD1-CB 3.42Å; F276-A328 HydrophobicContact CE1-CB 4.07Å; F276-A328 HydrophobicContact CG-CB 3.81Å
277	F	97.7	Very high	97.2	Very high	97 Å²	97	51.7 Å²	51.7	43%	0.425	26%	0.262	S	S	.	.	H	α-helix	trans	-58.5	-46.2	173.8	-70.5	-57.9	0	0	0	112.2	E273 E274 A279 G280 W281 A284	E273-F277 HydrophobicContact CB-CD2 4.45Å; E273-F277 HydrophobicContact CB-CE2 4.08Å; E273-F277 WeakPolarHBondContact O-CD2 2.89Å; E273-F277 PolarHBondContact O-N 2.98Å; E273-F277 VanDerWaalsContact O-N 3.17Å; E274-F277 PolarHBondContact O-N 3.04Å; F277-A279 VanDerWaalsContact C-N 3.27Å; F277-A279 PolarHBondContact O-N 3.32Å; F277-G280 PolarHBondContact O-N 3.25Å; F277-W281 WeakPolarHBondContact CD1-O 3Å; F277-A284 HydrophobicContact CD2-CB 4.41Å; F277-A284 HydrophobicContact CE1-CB 4.29Å; F277-A284 HydrophobicContact CE2-CB 4.06Å; F277-A284 HydrophobicContact CZ-CB 4Å
278	K	97.4	Very high	97.3	Very high	146 Å²	146	48 Å²	48	64%	0.635	25%	0.246	S	C	*	.	H	α-helix	trans	-63.2	-32.7	177	-75.9	177.7	178.1	161.9	0	112.8	E274 F276 G280	E274-K278 HydrophobicContact CG-CD 4.05Å; E274-K278 HydrophobicContact CG-CG 4.27Å; E274-K278 WeakPolarHBondContact O-CB 3.4Å; E274-K278 WeakPolarHBondContact O-CG 3.34Å; E274-K278 PolarHBondContact O-N 2.63Å; E274-K278 WeakPolarHBondContact OE1-CE 3.46Å; E274-K278 IonicContact OE1-NZ 3.46Å; E274-K278 PolarHBondContact OE1-NZ 3.11Å; E274-K278 IonicContact OE2-NZ 3.85Å; F276-K278 PolarHBondContact O-N 3.32Å; K278-G280 PolarHBondContact O-N 3.4Å
279	A	97.8	Very high	97.4	Very high	2 Å²	2	46.3 Å²	46.3	2%	0.017	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	14.5	174.8	0	0	0	0	0	113.5	I221 E222 S225 R275 F276 F277	I221-A279 HydrophobicContact CB-CB 3.97Å; I221-A279 HydrophobicContact CG2-CB 3.41Å; I221-A279 VanDerWaalsContact CG2-CB 3.41Å; E222-A279 WeakPolarHBondContact CA-O 3.42Å; E222-A279 HydrophobicContact CB-CB 4.05Å; S225-A279 WeakPolarHBondContact CB-O 3.43Å; R275-A279 VanDerWaalsContact O-CB 3.24Å; R275-A279 WeakPolarHBondContact O-CB 3.49Å; R275-A279 PolarHBondContact O-N 3.27Å; R275-A279 VanDerWaalsContact O-N 3.12Å; F276-A279 CarbonylContact O-C 3.44Å; F276-A279 PolarHBondContact O-N 3.28Å; F277-A279 VanDerWaalsContact C-N 3.27Å; F277-A279 PolarHBondContact O-N 3.32Å
280	G	97.8	Very high	97.4	Very high	48 Å²	48	45.5 Å²	45.5	50%	0.495	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	8.1	171.4	0	0	0	0	0	115.5	S225 F276 F277 K278 N330	S225-G280 VanDerWaalsContact OG-C 3.29Å; S225-G280 PolarHBondContact OG-O 3Å; S225-G280 VanDerWaalsContact OG-O 3.11Å; F276-G280 PolarHBondContact O-N 3.09Å; F277-G280 PolarHBondContact O-N 3.25Å; K278-G280 PolarHBondContact O-N 3.4Å; G280-N330 PolarHBondContact O-OD1 3.35Å
281	W	98.3	Very high	97.4	Very high	5 Å²	5	46.5 Å²	46.5	2%	0.019	22%	0.224	C	C	.	.			trans	-74	133.1	173.8	-66.2	78.1	0	0	0	110.9	F203 I221 L224 A231 F233 F276 F277 A328 N330	F203-W281 HydrophobicContact CD2-CH2 4.42Å; I221-W281 PolarHBondContact O-NE1 2.68Å; L224-W281 HydrophobicContact CB-CZ2 4.48Å; A231-W281 HydrophobicContact CB-CH2 3.83Å; A231-W281 HydrophobicContact CB-CZ3 4.04Å; A231-W281 WeakPolarHBondContact O-CZ3 3.32Å; F233-W281 HydrophobicContact CB-CH2 3.58Å; F233-W281 HydrophobicContact CB-CZ2 3.74Å; F233-W281 HydrophobicContact CB-CZ3 4.01Å; F233-W281 HydrophobicContact CD2-CH2 4.36Å; F233-W281 AromaticContact CD2-CZ2 3.93Å; F233-W281 HydrophobicContact CD2-CZ2 3.93Å; F233-W281 HydrophobicContact CG-CH2 4.49Å; F233-W281 HydrophobicContact CG-CZ2 4.28Å; F276-W281 HydrophobicContact CB-CB 4.17Å; F276-W281 HydrophobicContact CB-CG 4.25Å; F276-W281 AromaticContact CD1-CD1 3.69Å; F276-W281 HydrophobicContact CD1-CD2 4.22Å; F276-W281 AromaticContact CD1-CG 3.95Å; F276-W281 HydrophobicContact CD1-CG 3.95Å; F276-W281 AromaticContact CD1-NE1 3.81Å; F276-W281 WeakPolarHBondContact O-CB 3.46Å; F276-W281 PolarHBondContact O-N 3.22Å; F277-W281 WeakPolarHBondContact CD1-O 3Å; W281-A328 HydrophobicContact CB-CB 4.15Å; W281-A328 HydrophobicContact CD2-CB 3.95Å; W281-A328 HydrophobicContact CE3-CB 3.89Å; W281-A328 HydrophobicContact CG-CB 4.08Å; W281-N330 VanDerWaalsContact CA-OD1 3.31Å; W281-N330 WeakPolarHBondContact CA-OD1 3.3Å
282	K	97.2	Very high	97.5	Very high	140 Å²	140	45 Å²	45	61%	0.609	21%	0.214	S	C	*	.	S	Bend	trans	-71.4	-37.2	-174.7	-63.8	-175.8	-169.1	156.9	0	113.9	T329 N330	K282-T329 PolarHBondContact N-O 3.36Å; K282-N330 WeakPolarHBondContact CD-O 3.49Å; K282-N330 WeakPolarHBondContact CE-O 3.41Å; K282-N330 PolarHBondContact N-OD1 3.4Å; K282-N330 PolarHBondContact NZ-O 3.02Å
283	K	96.6	Very high	97.4	Very high	98 Å²	98	46.3 Å²	46.3	43%	0.426	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	143.5	175	-76.9	-170.4	168.7	171.6	0	109.6	A328 T329 E332	K283-A328 CarbonylContact O-C 3.6Å; K283-A328 WeakPolarHBondContact O-CA 3.39Å; K283-A328 WeakPolarHBondContact O-CB 3.46Å; K283-T329 HydrophobicContact CB-CG2 4.02Å; K283-T329 PolarHBondContact N-O 3.32Å; K283-T329 PolarHBondContact O-N 3.13Å; K283-E332 HydrophobicContact CD-CG 3.86Å; K283-E332 WeakPolarHBondContact CE-OE1 3.5Å; K283-E332 VanDerWaalsContact CE-OE2 3.23Å; K283-E332 WeakPolarHBondContact CE-OE2 3.19Å; K283-E332 HydrophobicContact CG-CG 4.43Å; K283-E332 IonicContact NZ-OE1 3.5Å; K283-E332 PolarHBondContact NZ-OE1 3.12Å; K283-E332 IonicContact NZ-OE2 3.55Å; K283-E332 PolarHBondContact NZ-OE2 3.47Å
284	A	96.8	Very high	97.3	Very high	9 Å²	9	51.7 Å²	51.7	7%	0.074	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	132.1	169.6	0	0	0	0	0	108.7	E273 F276 F277 L327 A328	E273-A284 HydrophobicContact CB-CB 4.37Å; F276-A284 HydrophobicContact CB-CB 3.82Å; F277-A284 HydrophobicContact CD2-CB 4.41Å; F277-A284 HydrophobicContact CE1-CB 4.29Å; F277-A284 HydrophobicContact CE2-CB 4.06Å; F277-A284 HydrophobicContact CZ-CB 4Å; A284-L327 WeakPolarHBondContact CA-O 3.34Å; A284-A328 HydrophobicContact CB-CB 4.06Å
285	K	96.4	Very high	97.1	Very high	98 Å²	98	50.7 Å²	50.7	43%	0.426	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	122.6	176.5	-174	70.1	-149.3	136.9	0	110.5	E273 W287 L326 L327	E273-K285 IonicContact OE1-NZ 2.8Å; E273-K285 PolarHBondContact OE1-NZ 3.09Å; K285-W287 HydrophobicContact CB-CH2 3.89Å; K285-W287 HydrophobicContact CB-CZ2 4Å; K285-W287 HydrophobicContact CB-CZ3 4.47Å; K285-W287 HydrophobicContact CG-CD2 4.38Å; K285-W287 HydrophobicContact CG-CH2 3.7Å; K285-W287 HydrophobicContact CG-CZ2 3.28Å; K285-W287 HydrophobicContact CG-CZ3 4.39Å; K285-W287 VanDerWaalsContact O-CZ3 3.25Å; K285-W287 WeakPolarHBondContact O-CZ3 3.4Å; K285-L326 WeakPolarHBondContact O-CA 3.39Å; K285-L327 PolarHBondContact N-O 3.07Å; K285-L327 PolarHBondContact O-N 3.19Å
286	G	97.1	Very high	97	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	151.7	175.4	0	0	0	0	0	112.8	E273 I325	E273-G286 PolarHBondContact OE1-N 2.94Å; G286-I325 CarbonylContact C-O 3.59Å; G286-I325 WeakPolarHBondContact CA-O 3.4Å
287	W	98	Very high	96.8	Very high	37 Å²	37	50.7 Å²	50.7	14%	0.14	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	138.2	172.6	-57	-84.1	0	0	0	110.1	K285 Q291 V292 M295 C324 I325 L327 L340	K285-W287 HydrophobicContact CB-CH2 3.89Å; K285-W287 HydrophobicContact CB-CZ2 4Å; K285-W287 HydrophobicContact CB-CZ3 4.47Å; K285-W287 HydrophobicContact CG-CD2 4.38Å; K285-W287 HydrophobicContact CG-CH2 3.7Å; K285-W287 HydrophobicContact CG-CZ2 3.28Å; K285-W287 HydrophobicContact CG-CZ3 4.39Å; K285-W287 VanDerWaalsContact O-CZ3 3.25Å; K285-W287 WeakPolarHBondContact O-CZ3 3.4Å; W287-Q291 HydrophobicContact CB-CB 4.03Å; W287-V292 HydrophobicContact CB-CG2 3.78Å; W287-M295 VanDerWaalsContact CD1-CE 3.5Å; W287-M295 HydrophobicContact CG-CE 4.18Å; W287-C324 CarbonylContact O-C 3.6Å; W287-C324 WeakPolarHBondContact O-CA 3.15Å; W287-C324 VanDerWaalsContact O-CB 3.3Å; W287-C324 WeakPolarHBondContact O-CB 3.05Å; W287-I325 PolarHBondContact N-O 3.07Å; W287-I325 PolarHBondContact O-N 3.4Å; W287-L327 HydrophobicContact CH2-CB 4.44Å; W287-L327 HydrophobicContact CZ3-CB 4.1Å; W287-L340 HydrophobicContact CH2-CD2 3.82Å; W287-L340 HydrophobicContact CZ2-CD2 4.36Å
288	T	98.4	Very high	96.7	Very high	8 Å²	8	52.1 Å²	52.1	5%	0.049	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	160.5	168.1	71.5	0	0	0	0	110.7	L269 N290 Q291 V292 D321 Y323	L269-T288 HydrophobicContact CD1-CG2 3.87Å; L269-T288 HydrophobicContact CG-CG2 4.3Å; T288-N290 PolarHBondContact O-N 3.21Å; T288-Q291 WeakPolarHBondContact O-CA 3.1Å; T288-Q291 WeakPolarHBondContact O-CB 3.4Å; T288-Q291 PolarHBondContact O-N 3.2Å; T288-Q291 PolarHBondContact OG1-N 2.83Å; T288-V292 PolarHBondContact O-N 3.32Å; T288-D321 PolarHBondContact OG1-OD1 2.87Å; T288-Y323 WeakPolarHBondContact CA-O 3.5Å
289	I	98.2	Very high	96.6	Very high	1 Å²	1	51 Å²	51	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-61.8	-30.4	177.1	-58.7	-48.2	0	0	0	111.6	I60 Y236 Q291 V292 Y293 F320 Y323 I325	I60-I289 HydrophobicContact CB-CG2 4.05Å; I60-I289 HydrophobicContact CD1-CG2 3.62Å; I60-I289 HydrophobicContact CG1-CG2 4.44Å; I60-I289 HydrophobicContact CG2-CG2 3.8Å; Y236-I289 HydrophobicContact CD2-CD1 3.92Å; Y236-I289 HydrophobicContact CE2-CD1 3.47Å; Y236-I289 VanDerWaalsContact CE2-CD1 3.47Å; Y236-I289 HydrophobicContact CE2-CG1 3.99Å; I289-Q291 PolarHBondContact O-N 2.76Å; I289-V292 PolarHBondContact O-N 2.92Å; I289-Y293 VanDerWaalsContact O-CB 3.26Å; I289-Y293 WeakPolarHBondContact O-CB 3.26Å; I289-Y293 PolarHBondContact O-N 3.41Å; I289-F320 HydrophobicContact CB-CB 3.9Å; I289-F320 HydrophobicContact CB-CG 4.14Å; I289-F320 VanDerWaalsContact CB-O 3.32Å; I289-F320 WeakPolarHBondContact CB-O 3.22Å; I289-F320 HydrophobicContact CG2-CB 4.08Å; I289-F320 HydrophobicContact CG2-CD1 4.03Å; I289-F320 HydrophobicContact CG2-CD2 3.96Å; I289-F320 HydrophobicContact CG2-CE1 4.49Å; I289-F320 HydrophobicContact CG2-CE2 4.42Å; I289-F320 HydrophobicContact CG2-CG 3.75Å; I289-F320 PolarHBondContact N-O 3.34Å; I289-Y323 WeakPolarHBondContact CG1-O 3.48Å; I289-Y323 PolarHBondContact N-O 3.1Å; I289-Y323 VanDerWaalsContact N-O 3.09Å; I289-I325 HydrophobicContact CD1-CD1 4.25Å; I289-I325 HydrophobicContact CD1-CG1 3.88Å
290	N	98	Very high	96.5	Very high	14 Å²	14	51.1 Å²	51.1	8%	0.075	25%	0.25	C	S	.	.	H	α-helix	trans	-62.2	-41.3	170.6	-80.5	-46.3	0	0	0	112.7	T288 K294 M317 F320 D321	T288-N290 PolarHBondContact O-N 3.21Å; N290-K294 VanDerWaalsContact O-CG 3.29Å; N290-K294 WeakPolarHBondContact O-CG 3.29Å; N290-K294 PolarHBondContact O-N 3.27Å; N290-K294 VanDerWaalsContact O-N 3.12Å; N290-M317 PolarHBondContact ND2-O 3.41Å; N290-F320 HydrophobicContact CB-CB 4.42Å; N290-F320 WeakPolarHBondContact OD1-CB 3.47Å; N290-D321 PolarHBondContact ND2-OD1 3.42Å; N290-D321 PolarHBondContact ND2-OD2 2.95Å
291	Q	97.3	Very high	96.4	Very high	81 Å²	81	52 Å²	52	38%	0.379	24%	0.238	S	C	.	.	H	α-helix	trans	-67.1	-44.6	177.8	-69.5	173.8	-39.9	0	0	110.9	W287 T288 I289 K294 M295	W287-Q291 HydrophobicContact CB-CB 4.03Å; T288-Q291 WeakPolarHBondContact O-CA 3.1Å; T288-Q291 WeakPolarHBondContact O-CB 3.4Å; T288-Q291 PolarHBondContact O-N 3.2Å; T288-Q291 PolarHBondContact OG1-N 2.83Å; I289-Q291 PolarHBondContact O-N 2.76Å; Q291-K294 PolarHBondContact O-N 3.09Å; Q291-M295 WeakPolarHBondContact O-CG 3.36Å; Q291-M295 PolarHBondContact O-N 3.08Å
292	V	96.8	Very high	96.2	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.024	26%	0.26	C	S	.	.	H	α-helix	trans	-62	-44.5	175.9	179.6	0	0	0	0	110.7	I60 A64 W287 T288 I289 K294 M295 L296 I325	I60-V292 HydrophobicContact CG2-CB 4.09Å; I60-V292 HydrophobicContact CG2-CG1 3.69Å; A64-V292 HydrophobicContact CB-CG1 3.86Å; W287-V292 HydrophobicContact CB-CG2 3.78Å; T288-V292 PolarHBondContact O-N 3.32Å; I289-V292 PolarHBondContact O-N 2.92Å; V292-K294 VanDerWaalsContact C-N 3.29Å; V292-K294 PolarHBondContact O-N 3.11Å; V292-M295 WeakPolarHBondContact O-CB 3.42Å; V292-M295 PolarHBondContact O-N 3.15Å; V292-L296 PolarHBondContact O-N 3.22Å; V292-I325 HydrophobicContact CG1-CD1 4.28Å; V292-I325 HydrophobicContact CG2-CB 4.21Å; V292-I325 HydrophobicContact CG2-CD1 4.24Å; V292-I325 HydrophobicContact CG2-CG1 4.46Å
293	Y	96.1	Very high	96.2	Very high	28 Å²	28	54.2 Å²	54.2	11%	0.11	24%	0.244	C	C	.	.	H	α-helix	trans	-56.7	-44.9	178.1	-171.4	-125.6	0	0	0	111.3	I60 I289 M295 L296 R301 V304 E305	I60-Y293 HydrophobicContact CD1-CD2 3.49Å; I60-Y293 VanDerWaalsContact CD1-CD2 3.49Å; I60-Y293 HydrophobicContact CD1-CE2 4.24Å; I60-Y293 HydrophobicContact CD1-CG 3.85Å; I60-Y293 HydrophobicContact CG1-CD2 3.65Å; I60-Y293 HydrophobicContact CG1-CE2 4.35Å; I60-Y293 HydrophobicContact CG1-CG 4.4Å; I289-Y293 VanDerWaalsContact O-CB 3.26Å; I289-Y293 WeakPolarHBondContact O-CB 3.26Å; I289-Y293 PolarHBondContact O-N 3.41Å; Y293-M295 PolarHBondContact O-N 3.21Å; Y293-L296 HydrophobicContact CD2-CD1 4.02Å; Y293-L296 WeakPolarHBondContact O-CB 3.32Å; Y293-L296 PolarHBondContact O-N 2.92Å; Y293-R301 HydrophobicContact CD2-CG 4.18Å; Y293-R301 HydrophobicContact CE1-CG 4.27Å; Y293-R301 HydrophobicContact CE2-CB 4.32Å; Y293-R301 HydrophobicContact CE2-CG 3.65Å; Y293-R301 VanDerWaalsContact O-CD 3.32Å; Y293-R301 WeakPolarHBondContact O-CD 3.32Å; Y293-V304 HydrophobicContact CE2-CG2 4.26Å; Y293-E305 VanDerWaalsContact OH-CD 3.28Å; Y293-E305 VanDerWaalsContact OH-CG 3.29Å; Y293-E305 WeakPolarHBondContact OH-CG 3.47Å; Y293-E305 PolarHBondContact OH-OE1 3.41Å
294	K	94.7	Very high	96.1	Very high	148 Å²	148	49.6 Å²	49.6	64%	0.643	22%	0.224	S	C	*	.	H	α-helix	trans	-62.5	-23.3	176.9	-71.9	170	-175	176.2	0	113.9	N290 Q291 V292 L296	N290-K294 VanDerWaalsContact O-CG 3.29Å; N290-K294 WeakPolarHBondContact O-CG 3.29Å; N290-K294 PolarHBondContact O-N 3.27Å; N290-K294 VanDerWaalsContact O-N 3.12Å; Q291-K294 PolarHBondContact O-N 3.09Å; V292-K294 VanDerWaalsContact C-N 3.29Å; V292-K294 PolarHBondContact O-N 3.11Å; K294-L296 VanDerWaalsContact C-N 3.34Å
295	M	94.7	Very high	96.1	Very high	68 Å²	68	52.5 Å²	52.5	34%	0.335	24%	0.236	S	C	.	.	H	α-helix	trans	-79.8	-16.1	175.2	-62.7	177.1	-170	0	0	113	W287 Q291 V292 Y293 L344	W287-M295 VanDerWaalsContact CD1-CE 3.5Å; W287-M295 HydrophobicContact CG-CE 4.18Å; Q291-M295 WeakPolarHBondContact O-CG 3.36Å; Q291-M295 PolarHBondContact O-N 3.08Å; V292-M295 WeakPolarHBondContact O-CB 3.42Å; V292-M295 PolarHBondContact O-N 3.15Å; Y293-M295 PolarHBondContact O-N 3.21Å; M295-L344 HydrophobicContact CB-CD1 4.38Å; M295-L344 HydrophobicContact SD-CD1 4.12Å
296	L	94.8	Very high	96	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.021	24%	0.242	C	C	.	.	S	Bend	trans	-72.3	150.6	177	-58.5	-175.8	0	0	0	111.6	F59 I60 T63 V292 Y293 K294 R301 L344	F59-L296 HydrophobicContact CE1-CD1 3.77Å; F59-L296 HydrophobicContact CZ-CD1 4.33Å; I60-L296 HydrophobicContact CG1-CD1 4.38Å; T63-L296 HydrophobicContact CG2-CD1 4.4Å; T63-L296 HydrophobicContact CG2-CD2 3.83Å; V292-L296 PolarHBondContact O-N 3.22Å; Y293-L296 HydrophobicContact CD2-CD1 4.02Å; Y293-L296 WeakPolarHBondContact O-CB 3.32Å; Y293-L296 PolarHBondContact O-N 2.92Å; K294-L296 VanDerWaalsContact C-N 3.34Å; L296-R301 HydrophobicContact CB-CG 4.06Å; L296-R301 PolarHBondContact O-NE 2.77Å; L296-L344 HydrophobicContact CD2-CD2 4.34Å
297	P	93.9	Very high	96	Very high	28 Å²	28	56 Å²	56	18%	0.182	26%	0.255	C	S	.	.			trans	-59.6	148.4	-178	-24.6	37.1	0	0	0	111.8	N299 T300 R301 L344 S345	P297-N299 VanDerWaalsContact C-N 3.28Å; P297-N299 PolarHBondContact O-N 3.34Å; P297-T300 WeakPolarHBondContact O-CB 3.49Å; P297-T300 PolarHBondContact O-N 3.25Å; P297-T300 VanDerWaalsContact O-N 3.16Å; P297-R301 PolarHBondContact O-N 3.02Å; P297-L344 WeakPolarHBondContact CD-O 3.47Å; P297-S345 WeakPolarHBondContact CG-O 3.46Å
298	F	94.7	Very high	95.9	Very high	127 Å²	127	55.3 Å²	55.3	56%	0.557	25%	0.253	S	S	*	.	H	α-helix	trans	-53.9	-46.2	175.7	174.8	-95	0	0	0	111.8	T300 R301 Y302	F298-T300 VanDerWaalsContact C-N 3.3Å; F298-T300 PolarHBondContact O-N 3.49Å; F298-R301 PolarHBondContact O-N 3.35Å; F298-Y302 HydrophobicContact CE1-CD2 4.29Å; F298-Y302 HydrophobicContact CE1-CG 4.48Å; F298-Y302 HydrophobicContact CZ-CD2 4.04Å; F298-Y302 WeakPolarHBondContact O-CB 3.29Å; F298-Y302 PolarHBondContact O-N 3.34Å
299	N	95.2	Very high	95.6	Very high	123 Å²	123	62.3 Å²	62.3	66%	0.658	29%	0.29	S	S	*	.	H	α-helix	trans	-62.2	-37.9	-179	-68.5	-19.2	0	0	0	112.4	P297 R303	P297-N299 VanDerWaalsContact C-N 3.28Å; P297-N299 PolarHBondContact O-N 3.34Å; N299-R303 VanDerWaalsContact O-CB 3.28Å; N299-R303 WeakPolarHBondContact O-CB 3.38Å; N299-R303 PolarHBondContact O-N 2.76Å
300	T	95.6	Very high	95.3	Very high	5 Å²	5	63.5 Å²	63.5	3%	0.031	30%	0.296	C	S	.	.	H	α-helix	trans	-67.5	-48.1	178	-51.3	0	0	0	0	110.9	F59 P297 F298 R303 V304 T347	F59-T300 HydrophobicContact CE1-CG2 4.25Å; F59-T300 HydrophobicContact CZ-CG2 3.57Å; P297-T300 WeakPolarHBondContact O-CB 3.49Å; P297-T300 PolarHBondContact O-N 3.25Å; P297-T300 VanDerWaalsContact O-N 3.16Å; F298-T300 VanDerWaalsContact C-N 3.3Å; F298-T300 PolarHBondContact O-N 3.49Å; T300-R303 PolarHBondContact O-N 3.45Å; T300-V304 WeakPolarHBondContact O-CG2 3.47Å; T300-V304 PolarHBondContact O-N 3.09Å; T300-T347 PolarHBondContact OG1-O 2.96Å
301	R	95.2	Very high	94.8	Very high	65 Å²	65	70.3 Å²	70.3	25%	0.245	33%	0.332	C	S	.	.	H	α-helix	trans	-60.2	-48.3	174.5	-69.2	-167.6	-75.1	113.8	-1.4	111.8	Y293 L296 P297 F298 R303 V304 E305	Y293-R301 HydrophobicContact CD2-CG 4.18Å; Y293-R301 HydrophobicContact CE1-CG 4.27Å; Y293-R301 HydrophobicContact CE2-CB 4.32Å; Y293-R301 HydrophobicContact CE2-CG 3.65Å; Y293-R301 VanDerWaalsContact O-CD 3.32Å; Y293-R301 WeakPolarHBondContact O-CD 3.32Å; L296-R301 HydrophobicContact CB-CG 4.06Å; L296-R301 PolarHBondContact O-NE 2.77Å; P297-R301 PolarHBondContact O-N 3.02Å; F298-R301 PolarHBondContact O-N 3.35Å; R301-R303 VanDerWaalsContact C-N 3.33Å; R301-R303 PolarHBondContact O-N 3.07Å; R301-V304 VanDerWaalsContact O-CG2 3.27Å; R301-V304 WeakPolarHBondContact O-CG2 3.47Å; R301-V304 PolarHBondContact O-N 3.17Å; R301-E305 VanDerWaalsContact O-CB 3.32Å; R301-E305 WeakPolarHBondContact O-CB 3.34Å; R301-E305 VanDerWaalsContact O-CG 3.25Å; R301-E305 WeakPolarHBondContact O-CG 2.83Å; R301-E305 PolarHBondContact O-N 3.45Å
302	Y	95.5	Very high	94.4	Very high	118 Å²	118	70.3 Å²	70.3	46%	0.463	34%	0.335	S	S	.	.	H	α-helix	trans	-55.4	-48.8	176.1	-178.2	-87.8	0	0	0	110.9	F298 V304 E305 H306	F298-Y302 HydrophobicContact CE1-CD2 4.29Å; F298-Y302 HydrophobicContact CE1-CG 4.48Å; F298-Y302 HydrophobicContact CZ-CD2 4.04Å; F298-Y302 WeakPolarHBondContact O-CB 3.29Å; F298-Y302 PolarHBondContact O-N 3.34Å; Y302-V304 PolarHBondContact O-N 3.32Å; Y302-E305 PolarHBondContact O-N 2.95Å; Y302-H306 AromaticContact CD1-ND1 3.94Å; Y302-H306 AromaticContact CD2-CE1 3.53Å; Y302-H306 AromaticContact CE1-CE1 3.78Å; Y302-H306 AromaticContact CE1-ND1 3.88Å; Y302-H306 AromaticContact CE2-CE1 3.19Å; Y302-H306 WeakPolarHBondContact CE2-CE1 3.32Å; Y302-H306 AromaticContact CE2-ND1 3.98Å; Y302-H306 AromaticContact CE2-NE2 3.77Å; Y302-H306 AromaticContact CG-CE1 3.97Å; Y302-H306 AromaticContact CG-ND1 4Å; Y302-H306 AromaticContact CZ-CE1 3.32Å; Y302-H306 AromaticContact CZ-ND1 3.9Å; Y302-H306 AromaticContact CZ-NE2 3.57Å; Y302-H306 PolarHBondContact O-N 3.22Å; Y302-H306 PolarHBondContact O-ND1 2.94Å
303	R	96	Very high	94.2	Very high	75 Å²	75	75.2 Å²	75.2	28%	0.283	36%	0.361	S	S	.	.	H	α-helix	trans	-56.8	-51.5	178	-179.8	-178.6	63.9	69.5	-2.1	111.9	G33 Y34 N299 T300 R301 H306 E348	G33-R303 PolarHBondContact O-NH1 3.26Å; Y34-R303 PolarHBondContact O-NH1 2.98Å; Y34-R303 PolarHBondContact O-NH2 2.97Å; Y34-R303 VanDerWaalsContact O-NH2 3.15Å; N299-R303 VanDerWaalsContact O-CB 3.28Å; N299-R303 WeakPolarHBondContact O-CB 3.38Å; N299-R303 PolarHBondContact O-N 2.76Å; T300-R303 PolarHBondContact O-N 3.45Å; R301-R303 VanDerWaalsContact C-N 3.33Å; R301-R303 PolarHBondContact O-N 3.07Å; R303-H306 PolarHBondContact O-N 3.48Å; R303-E348 VanDerWaalsContact CZ-OXT 3.24Å; R303-E348 PolarHBondContact NE-OXT 2.96Å; R303-E348 VanDerWaalsContact NH2-C 3.27Å; R303-E348 PolarHBondContact NH2-O 2.93Å; R303-E348 PolarHBondContact NH2-OXT 3.15Å
304	V	95.5	Very high	94.1	Very high	0 Å²	0	81.2 Å²	81.2	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-70.8	-31.8	-176.7	-60.5	0	0	0	0	113	Y34 F59 Y293 T300 R301 Y302 H306 L307	Y34-V304 HydrophobicContact CD1-CB 4Å; Y34-V304 HydrophobicContact CD1-CG1 4.09Å; Y34-V304 HydrophobicContact CE1-CB 4.15Å; F59-V304 HydrophobicContact CD1-CB 4.38Å; F59-V304 HydrophobicContact CD1-CG1 3.87Å; F59-V304 HydrophobicContact CD1-CG2 4.2Å; F59-V304 HydrophobicContact CD2-CG1 4.18Å; F59-V304 HydrophobicContact CE1-CB 4.37Å; F59-V304 HydrophobicContact CE1-CG1 3.65Å; F59-V304 HydrophobicContact CE1-CG2 4.01Å; F59-V304 HydrophobicContact CE2-CG1 3.97Å; F59-V304 HydrophobicContact CG-CG1 4.14Å; F59-V304 HydrophobicContact CZ-CG1 3.72Å; Y293-V304 HydrophobicContact CE2-CG2 4.26Å; T300-V304 WeakPolarHBondContact O-CG2 3.47Å; T300-V304 PolarHBondContact O-N 3.09Å; R301-V304 VanDerWaalsContact O-CG2 3.27Å; R301-V304 WeakPolarHBondContact O-CG2 3.47Å; R301-V304 PolarHBondContact O-N 3.17Å; Y302-V304 PolarHBondContact O-N 3.32Å; V304-H306 PolarHBondContact O-N 3.24Å; V304-L307 HydrophobicContact CB-CD1 4.44Å; V304-L307 HydrophobicContact CG1-CD1 4.43Å; V304-L307 PolarHBondContact O-N 3.32Å
305	E	95.1	Very high	94	Very high	70 Å²	70	76.9 Å²	76.9	33%	0.327	38%	0.375	S	S	.	.	H	α-helix	trans	-65.7	-24.5	175.4	-76.6	165.6	-172	0	0	112.8	R56 Y293 R301 Y302	R56-E305 PolarHBondContact NH2-O 2.9Å; Y293-E305 VanDerWaalsContact OH-CD 3.28Å; Y293-E305 VanDerWaalsContact OH-CG 3.29Å; Y293-E305 WeakPolarHBondContact OH-CG 3.47Å; Y293-E305 PolarHBondContact OH-OE1 3.41Å; R301-E305 VanDerWaalsContact O-CB 3.32Å; R301-E305 WeakPolarHBondContact O-CB 3.34Å; R301-E305 VanDerWaalsContact O-CG 3.25Å; R301-E305 WeakPolarHBondContact O-CG 2.83Å; R301-E305 PolarHBondContact O-N 3.45Å; Y302-E305 PolarHBondContact O-N 2.95Å
306	H	95.8	Very high	94	Very high	119 Å²	119	74 Å²	74	55%	0.551	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-2.9	179	-72.8	74.5	0	0	0	114.3	Y302 R303 V304	Y302-H306 AromaticContact CD1-ND1 3.94Å; Y302-H306 AromaticContact CD2-CE1 3.53Å; Y302-H306 AromaticContact CE1-CE1 3.78Å; Y302-H306 AromaticContact CE1-ND1 3.88Å; Y302-H306 AromaticContact CE2-CE1 3.19Å; Y302-H306 WeakPolarHBondContact CE2-CE1 3.32Å; Y302-H306 AromaticContact CE2-ND1 3.98Å; Y302-H306 AromaticContact CE2-NE2 3.77Å; Y302-H306 AromaticContact CG-CE1 3.97Å; Y302-H306 AromaticContact CG-ND1 4Å; Y302-H306 AromaticContact CZ-CE1 3.32Å; Y302-H306 AromaticContact CZ-ND1 3.9Å; Y302-H306 AromaticContact CZ-NE2 3.57Å; Y302-H306 PolarHBondContact O-N 3.22Å; Y302-H306 PolarHBondContact O-ND1 2.94Å; R303-H306 PolarHBondContact O-N 3.48Å; V304-H306 PolarHBondContact O-N 3.24Å
307	L	96.8	Very high	94	Very high	54 Å²	54	78.6 Å²	78.6	28%	0.283	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-39.9	176.5	-65	175.5	0	0	0	111.8	G33 Y34 V304	G33-L307 VanDerWaalsContact C-CD1 3.49Å; G33-L307 WeakPolarHBondContact O-CD1 3.22Å; Y34-L307 HydrophobicContact CD1-CD1 3.9Å; Y34-L307 HydrophobicContact CD2-CD1 3.87Å; Y34-L307 HydrophobicContact CE1-CD1 4.17Å; Y34-L307 HydrophobicContact CE2-CD1 4.16Å; Y34-L307 HydrophobicContact CG-CD1 3.74Å; V304-L307 HydrophobicContact CB-CD1 4.44Å; V304-L307 HydrophobicContact CG1-CD1 4.43Å; V304-L307 PolarHBondContact O-N 3.32Å
308	E	95.7	Very high	94.1	Very high	21 Å²	21	82 Å²	82	10%	0.098	40%	0.398	C	S	.	.	S	Bend	trans	-147.5	135	-175.5	-58.8	-176.2	123.1	0	0	109.7	R32 Y34 P52 N55 R56	R32-E308 IonicContact CZ-OE1 3.32Å; R32-E308 IonicContact NE-OE1 2.7Å; R32-E308 PolarHBondContact NE-OE1 3.23Å; R32-E308 IonicContact NH2-OE1 2.75Å; R32-E308 PolarHBondContact NH2-OE1 3.16Å; Y34-E308 WeakPolarHBondContact CE2-OE2 3.34Å; Y34-E308 PolarHBondContact OH-OE2 3.05Å; P52-E308 HydrophobicContact CB-CB 3.99Å; P52-E308 HydrophobicContact CG-CB 3.91Å; N55-E308 PolarHBondContact ND2-OE2 3.3Å; R56-E308 PolarHBondContact NH2-O 3.04Å
309	L	93	Very high	94.2	Very high	156 Å²	156	77.1 Å²	77.1	82%	0.817	38%	0.377	S	S	*	.			trans	-65	136.2	173.6	-63.7	176.6	0	0	0	109.6	P52	P52-L309 WeakPolarHBondContact CG-O 3.45Å
310	L	91.5	Very high	94.3	Very high	26 Å²	26	71.8 Å²	71.8	14%	0.136	35%	0.348	C	S	.	.			trans	-122.5	108.9	177.9	178.3	71.9	0	0	0	108.2	P52 E53 L313 T316	P52-L310 HydrophobicContact CB-CB 4.48Å; P52-L310 HydrophobicContact CB-CD1 4.02Å; E53-L310 HydrophobicContact CB-CD1 4.03Å; L310-L313 HydrophobicContact CD2-CD2 3.65Å; L310-L313 HydrophobicContact CG-CD2 4.36Å; L310-T316 WeakPolarHBondContact CD1-OG1 3.34Å; L310-T316 HydrophobicContact CD2-CG2 3.92Å; L310-T316 WeakPolarHBondContact CD2-OG1 2.98Å
311	D	86.8	Confident	94.5	Very high	157 Å²	157	74.3 Å²	74.3	84%	0.84	36%	0.362	S	S	*	.	S	Bend	trans	-81	-36.8	-173.7	-63.9	-22.4	0	0	0	112.3
312	D	90	Very high	94.6	Very high	81 Å²	81	71.5 Å²	71.5	43%	0.433	35%	0.351	S	S	.	.			trans	-108.1	82.6	-176.6	-160.5	-29	0	0	0	111.9	E314 V315 T316	D312-E314 VanDerWaalsContact C-N 3.31Å; D312-E314 PolarHBondContact OD1-N 3.46Å; D312-V315 HydrophobicContact CB-CB 4.27Å; D312-V315 VanDerWaalsContact CG-CB 3.49Å; D312-V315 WeakPolarHBondContact OD1-CB 3.21Å; D312-V315 WeakPolarHBondContact OD1-CG2 3.46Å; D312-V315 PolarHBondContact OD1-N 3.14Å; D312-V315 WeakPolarHBondContact OD2-CG2 3.08Å; D312-T316 PolarHBondContact O-N 3.37Å; D312-T316 PolarHBondContact O-OG1 3.42Å
313	L	91.7	Very high	94.7	Very high	107 Å²	107	67.5 Å²	67.5	56%	0.56	34%	0.336	S	S	*	.	H	α-helix	trans	-66.2	-33.7	176.8	-72.6	168.3	0	0	0	112.1	L310 T316 M317	L310-L313 HydrophobicContact CD2-CD2 3.65Å; L310-L313 HydrophobicContact CG-CD2 4.36Å; L313-T316 PolarHBondContact O-N 3.22Å; L313-M317 WeakPolarHBondContact O-CB 3.47Å; L313-M317 VanDerWaalsContact O-CG 3.25Å; L313-M317 WeakPolarHBondContact O-CG 3.33Å; L313-M317 PolarHBondContact O-N 2.88Å
314	E	93.6	Very high	94.8	Very high	153 Å²	153	64 Å²	64	72%	0.715	32%	0.322	S	S	*	.	H	α-helix	trans	-68.8	-47.6	-176.9	-66.6	-176.4	-179.3	0	0	111.1	D312 T316 M317 Q318	D312-E314 VanDerWaalsContact C-N 3.31Å; D312-E314 PolarHBondContact OD1-N 3.46Å; E314-T316 VanDerWaalsContact C-N 3.29Å; E314-T316 PolarHBondContact O-N 2.59Å; E314-M317 PolarHBondContact O-N 3.06Å; E314-Q318 WeakPolarHBondContact O-CG 3.24Å; E314-Q318 PolarHBondContact O-N 2.74Å
315	V	92.1	Very high	95	Very high	57 Å²	57	64 Å²	64	35%	0.345	32%	0.322	S	S	.	.	H	α-helix	trans	-63.8	-36.7	175.2	171.3	0	0	0	0	111.2	F245 D312 Q318 L319	F245-V315 HydrophobicContact CE2-CG1 4.43Å; D312-V315 HydrophobicContact CB-CB 4.27Å; D312-V315 VanDerWaalsContact CG-CB 3.49Å; D312-V315 WeakPolarHBondContact OD1-CB 3.21Å; D312-V315 WeakPolarHBondContact OD1-CG2 3.46Å; D312-V315 PolarHBondContact OD1-N 3.14Å; D312-V315 WeakPolarHBondContact OD2-CG2 3.08Å; V315-Q318 PolarHBondContact O-N 3.22Å; V315-L319 WeakPolarHBondContact O-CB 3.35Å; V315-L319 PolarHBondContact O-N 2.8Å
316	T	94.8	Very high	95.1	Very high	8 Å²	8	60.7 Å²	60.7	5%	0.049	31%	0.307	C	S	.	.	H	α-helix	trans	-63.7	-44.5	174.9	-58.3	0	0	0	0	111.7	E53 L310 D312 L313 E314 Q318 L319 F320	E53-T316 HydrophobicContact CB-CG2 3.79Å; E53-T316 WeakPolarHBondContact CB-OG1 3.25Å; L310-T316 WeakPolarHBondContact CD1-OG1 3.34Å; L310-T316 HydrophobicContact CD2-CG2 3.92Å; L310-T316 WeakPolarHBondContact CD2-OG1 2.98Å; D312-T316 PolarHBondContact O-N 3.37Å; D312-T316 PolarHBondContact O-OG1 3.42Å; L313-T316 PolarHBondContact O-N 3.22Å; E314-T316 VanDerWaalsContact C-N 3.29Å; E314-T316 PolarHBondContact O-N 2.59Å; T316-Q318 VanDerWaalsContact C-N 3.34Å; T316-L319 PolarHBondContact O-N 3.24Å; T316-F320 HydrophobicContact CG2-CD1 4.43Å; T316-F320 HydrophobicContact CG2-CD2 4.24Å; T316-F320 HydrophobicContact CG2-CE1 4.07Å; T316-F320 HydrophobicContact CG2-CE2 3.87Å; T316-F320 HydrophobicContact CG2-CZ 3.78Å; T316-F320 WeakPolarHBondContact O-CB 3.42Å; T316-F320 WeakPolarHBondContact O-CG 3.46Å; T316-F320 PolarHBondContact O-N 2.8Å
317	M	95.7	Very high	95.2	Very high	101 Å²	101	55.9 Å²	55.9	50%	0.498	29%	0.285	S	S	.	.	H	α-helix	trans	-62	-43.3	175.8	-74.1	174.9	62.8	0	0	110.8	N290 L313 E314 L319 F320 D321	N290-M317 PolarHBondContact ND2-O 3.41Å; L313-M317 WeakPolarHBondContact O-CB 3.47Å; L313-M317 VanDerWaalsContact O-CG 3.25Å; L313-M317 WeakPolarHBondContact O-CG 3.33Å; L313-M317 PolarHBondContact O-N 2.88Å; E314-M317 PolarHBondContact O-N 3.06Å; M317-L319 PolarHBondContact O-N 2.7Å; M317-F320 PolarHBondContact O-N 2.69Å; M317-D321 PolarHBondContact O-N 2.77Å
318	Q	96	Very high	95.3	Very high	99 Å²	99	53.3 Å²	53.3	46%	0.463	27%	0.272	S	S	.	.	H	α-helix	trans	-59	-47.9	174.3	-73	-179.2	-13.5	0	0	111.7	F245 E314 V315 T316 F320 D321 H322	F245-Q318 HydrophobicContact CD2-CB 4.02Å; F245-Q318 HydrophobicContact CE2-CB 4Å; F245-Q318 HydrophobicContact CG-CB 4.47Å; F245-Q318 HydrophobicContact CZ-CB 4.41Å; E314-Q318 WeakPolarHBondContact O-CG 3.24Å; E314-Q318 PolarHBondContact O-N 2.74Å; V315-Q318 PolarHBondContact O-N 3.22Å; T316-Q318 VanDerWaalsContact C-N 3.34Å; Q318-F320 VanDerWaalsContact C-N 3.29Å; Q318-F320 PolarHBondContact O-N 3.33Å; Q318-D321 PolarHBondContact O-N 3.13Å; Q318-D321 VanDerWaalsContact O-N 3.17Å; Q318-H322 PolarHBondContact O-N 3.24Å; Q318-H322 PolarHBondContact O-ND1 2.77Å
319	L	97	Very high	95.4	Very high	25 Å²	25	53 Å²	53	13%	0.131	27%	0.271	C	S	.	.	H	α-helix	trans	-56.9	-43.1	176.5	178.2	63.7	0	0	0	112	E53 I54 F245 V315 T316 M317 D321 H322 Y323	E53-L319 HydrophobicContact CB-CD2 4.41Å; E53-L319 HydrophobicContact CG-CD2 4.11Å; I54-L319 HydrophobicContact CD1-CD2 3.93Å; F245-L319 HydrophobicContact CE1-CB 4.35Å; F245-L319 HydrophobicContact CE1-CD1 4.17Å; F245-L319 HydrophobicContact CZ-CB 3.95Å; F245-L319 HydrophobicContact CZ-CD1 4.22Å; V315-L319 WeakPolarHBondContact O-CB 3.35Å; V315-L319 PolarHBondContact O-N 2.8Å; T316-L319 PolarHBondContact O-N 3.24Å; M317-L319 PolarHBondContact O-N 2.7Å; L319-D321 VanDerWaalsContact C-N 3.31Å; L319-D321 PolarHBondContact O-N 3.31Å; L319-H322 PolarHBondContact O-N 2.83Å; L319-H322 VanDerWaalsContact O-N 3.07Å; L319-Y323 HydrophobicContact CD1-CD2 4.38Å; L319-Y323 HydrophobicContact CD1-CE2 3.91Å
320	F	98	Very high	95.6	Very high	10 Å²	10	45.9 Å²	45.9	4%	0.044	23%	0.234	C	C	.	.	H	α-helix	trans	-72.9	-22	-178.6	-74.4	6.3	0	0	0	113.5	E53 R56 I60 I289 N290 T316 M317 Q318 H322	E53-F320 WeakPolarHBondContact O-CE1 3.45Å; R56-F320 HydrophobicContact CB-CE2 4.47Å; R56-F320 HydrophobicContact CB-CZ 3.78Å; I60-F320 HydrophobicContact CD1-CD2 4.1Å; I60-F320 HydrophobicContact CD1-CE2 3.49Å; I60-F320 VanDerWaalsContact CD1-CE2 3.49Å; I60-F320 HydrophobicContact CD1-CZ 3.86Å; I289-F320 HydrophobicContact CB-CB 3.9Å; I289-F320 HydrophobicContact CB-CG 4.14Å; I289-F320 VanDerWaalsContact CB-O 3.32Å; I289-F320 WeakPolarHBondContact CB-O 3.22Å; I289-F320 HydrophobicContact CG2-CB 4.08Å; I289-F320 HydrophobicContact CG2-CD1 4.03Å; I289-F320 HydrophobicContact CG2-CD2 3.96Å; I289-F320 HydrophobicContact CG2-CE1 4.49Å; I289-F320 HydrophobicContact CG2-CE2 4.42Å; I289-F320 HydrophobicContact CG2-CG 3.75Å; I289-F320 PolarHBondContact N-O 3.34Å; N290-F320 HydrophobicContact CB-CB 4.42Å; N290-F320 WeakPolarHBondContact OD1-CB 3.47Å; T316-F320 HydrophobicContact CG2-CD1 4.43Å; T316-F320 HydrophobicContact CG2-CD2 4.24Å; T316-F320 HydrophobicContact CG2-CE1 4.07Å; T316-F320 HydrophobicContact CG2-CE2 3.87Å; T316-F320 HydrophobicContact CG2-CZ 3.78Å; T316-F320 WeakPolarHBondContact O-CB 3.42Å; T316-F320 WeakPolarHBondContact O-CG 3.46Å; T316-F320 PolarHBondContact O-N 2.8Å; M317-F320 PolarHBondContact O-N 2.69Å; Q318-F320 VanDerWaalsContact C-N 3.29Å; Q318-F320 PolarHBondContact O-N 3.33Å; F320-H322 VanDerWaalsContact C-N 3.26Å
321	D	97.9	Very high	95.7	Very high	59 Å²	59	45.9 Å²	45.9	32%	0.316	23%	0.234	S	C	.	.	H	α-helix	trans	-78.5	-10.5	169.1	-75.7	-26.4	0	0	0	113.1	V239 N240 T288 N290 M317 Q318 L319	V239-D321 WeakPolarHBondContact CG1-O 3.36Å; N240-D321 PolarHBondContact ND2-O 3.46Å; T288-D321 PolarHBondContact OG1-OD1 2.87Å; N290-D321 PolarHBondContact ND2-OD1 3.42Å; N290-D321 PolarHBondContact ND2-OD2 2.95Å; M317-D321 PolarHBondContact O-N 2.77Å; Q318-D321 PolarHBondContact O-N 3.13Å; Q318-D321 VanDerWaalsContact O-N 3.17Å; L319-D321 VanDerWaalsContact C-N 3.31Å; L319-D321 PolarHBondContact O-N 3.31Å
322	H	98	Very high	95.9	Very high	5 Å²	5	43.3 Å²	43.3	2%	0.023	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	7.3	178.2	-75.4	76.1	0	0	0	114.7	Q238 V239 N240 D243 F245 G246 M249 Q318 L319 F320	Q238-H322 WeakPolarHBondContact CA-O 3.41Å; V239-H322 PolarHBondContact N-O 3.46Å; V239-H322 CarbonylContact O-C 3.53Å; V239-H322 VanDerWaalsContact O-CA 3.24Å; V239-H322 WeakPolarHBondContact O-CA 3.26Å; N240-H322 PolarHBondContact O-CD2 3.29Å; N240-H322 PolarHBondContact O-NE2 3.5Å; D243-H322 IonicContact OD1-CE1 3.95Å; D243-H322 IonicContact OD1-NE2 3.3Å; D243-H322 PolarHBondContact OD1-NE2 3.13Å; D243-H322 IonicContact OD2-CE1 2.81Å; D243-H322 PolarHBondContact OD2-CE1 3.25Å; D243-H322 IonicContact OD2-NE2 3.49Å; D243-H322 PolarHBondContact OD2-NE2 2.85Å; F245-H322 HydrophobicContact CD1-CB 4.37Å; F245-H322 AromaticContact CD1-CD2 3.81Å; F245-H322 AromaticContact CD1-CE1 3.49Å; F245-H322 VanDerWaalsContact CD1-CE1 3.49Å; F245-H322 WeakPolarHBondContact CD1-CE1 3.33Å; F245-H322 AromaticContact CD1-CG 3.6Å; F245-H322 AromaticContact CD1-ND1 3.41Å; F245-H322 WeakPolarHBondContact CD1-ND1 3.42Å; F245-H322 AromaticContact CD1-NE2 3.7Å; F245-H322 HydrophobicContact CE1-CB 4.36Å; F245-H322 AromaticContact CE1-ND1 3.94Å; F245-H322 AromaticContact CG-CE1 3.85Å; G246-H322 PolarHBondContact N-NE2 3.5Å; M249-H322 HydrophobicContact CE-CB 4.12Å; M249-H322 HydrophobicContact SD-CB 3.56Å; M249-H322 VanDerWaalsContact SD-CB 3.56Å; Q318-H322 PolarHBondContact O-N 3.24Å; Q318-H322 PolarHBondContact O-ND1 2.77Å; L319-H322 PolarHBondContact O-N 2.83Å; L319-H322 VanDerWaalsContact O-N 3.07Å; F320-H322 VanDerWaalsContact C-N 3.26Å
323	Y	98.4	Very high	95.9	Very high	35 Å²	35	43.8 Å²	43.8	14%	0.137	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	149.6	169.7	-71.9	-88	0	0	0	109.7	Y236 E237 Q238 M249 T288 I289 L319	Y236-Y323 HydrophobicContact CD1-CD1 4.46Å; Y236-Y323 AromaticContact CE1-CD1 3.41Å; Y236-Y323 HydrophobicContact CE1-CD1 3.41Å; Y236-Y323 VanDerWaalsContact CE1-CD1 3.41Å; Y236-Y323 AromaticContact CE1-CE1 3.94Å; Y236-Y323 HydrophobicContact CE1-CE1 3.94Å; Y236-Y323 HydrophobicContact CE1-CG 4.2Å; Y236-Y323 AromaticContact CZ-CD1 3.46Å; Y236-Y323 VanDerWaalsContact CZ-CD1 3.46Å; Y236-Y323 AromaticContact CZ-CG 3.77Å; Y236-Y323 WeakPolarHBondContact OH-CB 3.27Å; Y236-Y323 WeakPolarHBondContact OH-CD1 3.35Å; E237-Y323 CarbonylContact O-C 3.38Å; E237-Y323 WeakPolarHBondContact O-CA 3.21Å; Q238-Y323 HydrophobicContact CG-CD1 4.13Å; Q238-Y323 HydrophobicContact CG-CE1 3.61Å; M249-Y323 HydrophobicContact CE-CD2 4.37Å; M249-Y323 HydrophobicContact CE-CE2 3.49Å; M249-Y323 VanDerWaalsContact CE-CE2 3.49Å; T288-Y323 WeakPolarHBondContact CA-O 3.5Å; I289-Y323 WeakPolarHBondContact CG1-O 3.48Å; I289-Y323 PolarHBondContact N-O 3.1Å; I289-Y323 VanDerWaalsContact N-O 3.09Å; L319-Y323 HydrophobicContact CD1-CD2 4.38Å; L319-Y323 HydrophobicContact CD1-CE2 3.91Å
324	C	98.5	Very high	95.8	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	155.6	176.5	66.2	0	0	0	0	112.5	Y236 E237 V239 L269 W287	Y236-C324 VanDerWaalsContact CA-O 3.28Å; Y236-C324 WeakPolarHBondContact CA-O 3.36Å; E237-C324 PolarHBondContact N-O 2.97Å; E237-C324 VanDerWaalsContact N-O 3.16Å; E237-C324 PolarHBondContact O-N 2.97Å; V239-C324 HydrophobicContact CB-CB 4.12Å; V239-C324 HydrophobicContact CG1-CB 3.91Å; L269-C324 HydrophobicContact CD2-CB 3.45Å; L269-C324 VanDerWaalsContact CD2-CB 3.45Å; W287-C324 CarbonylContact O-C 3.6Å; W287-C324 WeakPolarHBondContact O-CA 3.15Å; W287-C324 VanDerWaalsContact O-CB 3.3Å; W287-C324 WeakPolarHBondContact O-CB 3.05Å
325	I	98.3	Very high	95.4	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.6	158.1	-65.8	-179.5	0	0	0	107.2	A64 F65 I68 L234 H235 Y236 G286 W287 I289 V292	A64-I325 HydrophobicContact CB-CD1 3.31Å; F65-I325 HydrophobicContact CD2-CD1 4.4Å; F65-I325 HydrophobicContact CE2-CD1 4.48Å; F65-I325 HydrophobicContact CE2-CG1 4.43Å; I68-I325 HydrophobicContact CD1-CG2 4.19Å; L234-I325 HydrophobicContact CD1-CG2 3.61Å; H235-I325 CarbonylContact O-C 3.42Å; H235-I325 VanDerWaalsContact O-CA 3.3Å; H235-I325 WeakPolarHBondContact O-CA 3.42Å; Y236-I325 HydrophobicContact CD2-CD1 4.4Å; Y236-I325 HydrophobicContact CD2-CG1 3.8Å; G286-I325 CarbonylContact C-O 3.59Å; G286-I325 WeakPolarHBondContact CA-O 3.4Å; W287-I325 PolarHBondContact N-O 3.07Å; W287-I325 PolarHBondContact O-N 3.4Å; I289-I325 HydrophobicContact CD1-CD1 4.25Å; I289-I325 HydrophobicContact CD1-CG1 3.88Å; V292-I325 HydrophobicContact CG1-CD1 4.28Å; V292-I325 HydrophobicContact CG2-CB 4.21Å; V292-I325 HydrophobicContact CG2-CD1 4.24Å; V292-I325 HydrophobicContact CG2-CG1 4.46Å
326	L	98.1	Very high	95.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.8	177.6	-177.7	151.4	0	0	0	110.3	L234 H235 Q272 E273 F276 K285 A328	L234-L326 WeakPolarHBondContact CA-O 3.44Å; H235-L326 PolarHBondContact N-O 3.2Å; H235-L326 PolarHBondContact O-N 3.08Å; Q272-L326 VanDerWaalsContact C-CD1 3.48Å; Q272-L326 HydrophobicContact CB-CD1 3.87Å; Q272-L326 VanDerWaalsContact O-CD1 3.3Å; Q272-L326 WeakPolarHBondContact O-CD1 3.47Å; E273-L326 HydrophobicContact CG-CD1 4.01Å; F276-L326 HydrophobicContact CD2-CD1 4.21Å; F276-L326 HydrophobicContact CD2-CD2 3.63Å; F276-L326 HydrophobicContact CE2-CD1 4.43Å; F276-L326 HydrophobicContact CE2-CD2 3.64Å; F276-L326 HydrophobicContact CG-CD2 4.1Å; F276-L326 HydrophobicContact CZ-CD2 4.1Å; K285-L326 WeakPolarHBondContact O-CA 3.39Å; L326-A328 HydrophobicContact CD2-CB 4.04Å
327	L	98	Very high	94.6	Very high	19 Å²	19	36.6 Å²	36.6	10%	0.099	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	119.3	170.9	-178.2	65.1	0	0	0	109.4	I68 F233 L234 A284 K285 W287 C335 L340	I68-L327 HydrophobicContact CG2-CD1 4.47Å; F233-L327 WeakPolarHBondContact O-CA 3.3Å; L234-L327 HydrophobicContact CB-CD1 4.25Å; L234-L327 HydrophobicContact CD1-CB 4.47Å; L234-L327 HydrophobicContact CD1-CD1 4.44Å; A284-L327 WeakPolarHBondContact CA-O 3.34Å; K285-L327 PolarHBondContact N-O 3.07Å; K285-L327 PolarHBondContact O-N 3.19Å; W287-L327 HydrophobicContact CH2-CB 4.44Å; W287-L327 HydrophobicContact CZ3-CB 4.1Å; L327-C335 HydrophobicContact CD2-CB 4.26Å; L327-L340 HydrophobicContact CD2-CD2 4.26Å
328	A	98	Very high	94.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	150.6	169.5	0	0	0	0	0	110.9	S232 F233 F276 W281 K283 A284 L326	S232-A328 CarbonylContact C-O 3.56Å; S232-A328 WeakPolarHBondContact CA-O 3.45Å; S232-A328 WeakPolarHBondContact CB-O 3.29Å; F233-A328 HydrophobicContact CB-CB 4.41Å; F233-A328 PolarHBondContact N-O 3.08Å; F233-A328 PolarHBondContact O-N 2.86Å; F276-A328 HydrophobicContact CB-CB 4Å; F276-A328 HydrophobicContact CD1-CB 3.42Å; F276-A328 VanDerWaalsContact CD1-CB 3.42Å; F276-A328 HydrophobicContact CE1-CB 4.07Å; F276-A328 HydrophobicContact CG-CB 3.81Å; W281-A328 HydrophobicContact CB-CB 4.15Å; W281-A328 HydrophobicContact CD2-CB 3.95Å; W281-A328 HydrophobicContact CE3-CB 3.89Å; W281-A328 HydrophobicContact CG-CB 4.08Å; K283-A328 CarbonylContact O-C 3.6Å; K283-A328 WeakPolarHBondContact O-CA 3.39Å; K283-A328 WeakPolarHBondContact O-CB 3.46Å; A284-A328 HydrophobicContact CB-CB 4.06Å; L326-A328 HydrophobicContact CD2-CB 4.04Å
329	T	97.6	Very high	93.6	Very high	13 Å²	13	36.3 Å²	36.3	8%	0.08	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	148.8	178.8	-171	0	0	0	0	113.9	A231 S232 K282 K283 D331	A231-T329 WeakPolarHBondContact O-CA 3.35Å; A231-T329 PolarHBondContact O-OG1 3.19Å; A231-T329 VanDerWaalsContact O-OG1 3.06Å; S232-T329 WeakPolarHBondContact OG-CB 3.45Å; S232-T329 PolarHBondContact OG-OG1 3.41Å; K282-T329 PolarHBondContact N-O 3.36Å; K283-T329 HydrophobicContact CB-CG2 4.02Å; K283-T329 PolarHBondContact N-O 3.32Å; K283-T329 PolarHBondContact O-N 3.13Å; T329-D331 PolarHBondContact OG1-N 3.08Å; T329-D331 VanDerWaalsContact OG1-N 3.14Å; T329-D331 PolarHBondContact OG1-O 3.46Å
330	N	96.7	Very high	93.1	Very high	8 Å²	8	35.5 Å²	35.5	4%	0.043	18%	0.182	C	C	.	.	S	Bend	trans	-100.8	-8.7	170.5	-78	-23.5	0	0	0	113.7	S225 P229 A231 G280 W281 K282	S225-N330 WeakPolarHBondContact CA-ND2 3.38Å; S225-N330 PolarHBondContact O-ND2 3.31Å; S225-N330 VanDerWaalsContact O-ND2 3.17Å; S225-N330 PolarHBondContact OG-ND2 3.23Å; P229-N330 VanDerWaalsContact O-CB 3.32Å; P229-N330 WeakPolarHBondContact O-CB 3.39Å; A231-N330 PolarHBondContact O-N 3.31Å; G280-N330 PolarHBondContact O-OD1 3.35Å; W281-N330 VanDerWaalsContact CA-OD1 3.31Å; W281-N330 WeakPolarHBondContact CA-OD1 3.3Å; K282-N330 WeakPolarHBondContact CD-O 3.49Å; K282-N330 WeakPolarHBondContact CE-O 3.41Å; K282-N330 PolarHBondContact N-OD1 3.4Å; K282-N330 PolarHBondContact NZ-O 3.02Å
331	D	95.2	Very high	92.5	Very high	26 Å²	26	41.4 Å²	41.4	14%	0.139	21%	0.208	C	C	.	.			trans	-137.1	99.9	179.3	179	-0.1	0	0	0	108.5	R230 T329 T333 L334	R230-D331 HydrophobicContact CB-CB 4.41Å; R230-D331 IonicContact CZ-OD2 3.48Å; R230-D331 IonicContact NE-OD2 2.76Å; R230-D331 PolarHBondContact NE-OD2 2.86Å; R230-D331 IonicContact NH2-OD2 3.02Å; R230-D331 PolarHBondContact NH2-OD2 3Å; T329-D331 PolarHBondContact OG1-N 3.08Å; T329-D331 VanDerWaalsContact OG1-N 3.14Å; T329-D331 PolarHBondContact OG1-O 3.46Å; D331-T333 PolarHBondContact O-N 3.09Å; D331-T333 WeakPolarHBondContact OD1-CB 3.37Å; D331-T333 WeakPolarHBondContact OD1-CG2 3.34Å; D331-T333 PolarHBondContact OD1-N 3.17Å; D331-T333 VanDerWaalsContact OD1-N 3.09Å; D331-T333 PolarHBondContact OD1-OG1 2.96Å; D331-T333 PolarHBondContact OD2-OG1 3.08Å; D331-L334 HydrophobicContact CB-CD1 3.78Å; D331-L334 HydrophobicContact CB-CG 3.89Å; D331-L334 VanDerWaalsContact O-CB 3.31Å; D331-L334 WeakPolarHBondContact O-CB 3.36Å; D331-L334 WeakPolarHBondContact O-CG 3.11Å; D331-L334 PolarHBondContact O-N 3.26Å
332	E	89.4	Confident	92	Very high	103 Å²	103	43.1 Å²	43.1	48%	0.481	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-9	-175.9	-47.7	-173.8	-177	0	0	113.7	K283	K283-E332 HydrophobicContact CD-CG 3.86Å; K283-E332 WeakPolarHBondContact CE-OE1 3.5Å; K283-E332 VanDerWaalsContact CE-OE2 3.23Å; K283-E332 WeakPolarHBondContact CE-OE2 3.19Å; K283-E332 HydrophobicContact CG-CG 4.43Å; K283-E332 IonicContact NZ-OE1 3.5Å; K283-E332 PolarHBondContact NZ-OE1 3.12Å; K283-E332 IonicContact NZ-OE2 3.55Å; K283-E332 PolarHBondContact NZ-OE2 3.47Å
333	T	90.7	Very high	91.6	Very high	90 Å²	90	43.7 Å²	43.7	55%	0.552	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-18.1	171.2	71.6	0	0	0	0	112.2	D331	D331-T333 PolarHBondContact O-N 3.09Å; D331-T333 WeakPolarHBondContact OD1-CB 3.37Å; D331-T333 WeakPolarHBondContact OD1-CG2 3.34Å; D331-T333 PolarHBondContact OD1-N 3.17Å; D331-T333 VanDerWaalsContact OD1-N 3.09Å; D331-T333 PolarHBondContact OD1-OG1 2.96Å; D331-T333 PolarHBondContact OD2-OG1 3.08Å
334	L	89.8	Confident	91.1	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.031	21%	0.214	C	C	.	.	S	Bend	trans	-85	123.8	176.6	-53.9	178.1	0	0	0	110	F72 T76 P200 R230 D331	F72-L334 HydrophobicContact CD2-CB 4.28Å; F72-L334 HydrophobicContact CE2-CB 3.88Å; F72-L334 HydrophobicContact CE2-CD1 3.87Å; F72-L334 HydrophobicContact CE2-CD2 4.37Å; F72-L334 HydrophobicContact CE2-CG 4.25Å; F72-L334 HydrophobicContact CZ-CD1 4.27Å; T76-L334 HydrophobicContact CG2-CD2 3.84Å; P200-L334 HydrophobicContact CB-CD1 4.23Å; P200-L334 HydrophobicContact CB-CD2 3.87Å; P200-L334 HydrophobicContact CG-CD2 4.17Å; R230-L334 HydrophobicContact CB-CD1 4.36Å; R230-L334 WeakPolarHBondContact O-CD1 3.45Å; D331-L334 HydrophobicContact CB-CD1 3.78Å; D331-L334 HydrophobicContact CB-CG 3.89Å; D331-L334 VanDerWaalsContact O-CB 3.31Å; D331-L334 WeakPolarHBondContact O-CB 3.36Å; D331-L334 WeakPolarHBondContact O-CG 3.11Å; D331-L334 PolarHBondContact O-N 3.26Å
335	C	84.7	Confident	90.3	Very high	6 Å²	6	45.2 Å²	45.2	4%	0.041	23%	0.234	C	C	.	.	S	Bend	trans	51.4	65.2	-174.5	-71	0	0	0	0	115.1	F72 L327	F72-C335 WeakPolarHBondContact CA-SG 3.49Å; F72-C335 WeakPolarHBondContact CB-SG 3.41Å; F72-C335 PolarHBondContact N-SG 3.29Å; L327-C335 HydrophobicContact CD2-CB 4.26Å
336	P	85.7	Confident	89.5	Confident	54 Å²	54	50.1 Å²	50.1	35%	0.351	26%	0.264	S	S	.	.			trans	-55	142.9	173.9	-22.2	33	0	0	0	112.3	K338 Q339 L340	P336-K338 PolarHBondContact O-N 2.77Å; P336-Q339 WeakPolarHBondContact O-CA 3.12Å; P336-Q339 WeakPolarHBondContact O-CB 3.34Å; P336-Q339 PolarHBondContact O-N 2.94Å; P336-L340 PolarHBondContact O-N 3.1Å
337	D	84.4	Confident	88.6	Confident	109 Å²	109	51.5 Å²	51.5	58%	0.583	27%	0.272	S	S	*	.	H	α-helix	trans	-49.9	-36.7	-177.4	-76	-12.1	0	0	0	114	K341	D337-K341 WeakPolarHBondContact O-CB 3.47Å; D337-K341 VanDerWaalsContact O-CG 3.28Å; D337-K341 WeakPolarHBondContact O-CG 3.38Å; D337-K341 PolarHBondContact O-N 3.05Å
338	K	85.4	Confident	87.5	Confident	152 Å²	152	59.2 Å²	59.2	66%	0.661	31%	0.308	S	S	*	.	H	α-helix	trans	-63.8	-47.6	177.4	-172.9	-175.8	177	-166.1	0	111.2	P336 L340 K341 E342	P336-K338 PolarHBondContact O-N 2.77Å; K338-L340 VanDerWaalsContact C-N 3.35Å; K338-K341 PolarHBondContact O-N 2.82Å; K338-E342 WeakPolarHBondContact CE-OE1 3.36Å; K338-E342 IonicContact NZ-OE1 3.98Å; K338-E342 WeakPolarHBondContact O-CB 3.41Å; K338-E342 WeakPolarHBondContact O-CG 3.42Å; K338-E342 PolarHBondContact O-N 2.81Å
339	Q	86	Confident	87	Confident	42 Å²	42	62.2 Å²	62.2	20%	0.196	32%	0.323	C	S	.	.	H	α-helix	trans	-68.5	-36.2	180	-167.6	-172.1	-6.6	0	0	111.5	S71 P336 E342 S343	S71-Q339 PolarHBondContact O-NE2 3.19Å; S71-Q339 WeakPolarHBondContact OG-CG 3.41Å; P336-Q339 WeakPolarHBondContact O-CA 3.12Å; P336-Q339 WeakPolarHBondContact O-CB 3.34Å; P336-Q339 PolarHBondContact O-N 2.94Å; Q339-E342 PolarHBondContact O-N 3.33Å; Q339-S343 WeakPolarHBondContact O-CB 3.37Å; Q339-S343 PolarHBondContact O-N 3.42Å; Q339-S343 PolarHBondContact O-OG 3.5Å
340	L	85.7	Confident	86.5	Confident	8 Å²	8	64.7 Å²	64.7	4%	0.042	34%	0.336	C	S	.	.	H	α-helix	trans	-60.5	-49.3	174.1	173.7	58.8	0	0	0	111.4	I68 W287 L327 P336 K338 S343 L344	I68-L340 HydrophobicContact CB-CD1 4.46Å; I68-L340 HydrophobicContact CD1-CD1 4.05Å; I68-L340 HydrophobicContact CG1-CD1 3.46Å; I68-L340 VanDerWaalsContact CG1-CD1 3.46Å; W287-L340 HydrophobicContact CH2-CD2 3.82Å; W287-L340 HydrophobicContact CZ2-CD2 4.36Å; L327-L340 HydrophobicContact CD2-CD2 4.26Å; P336-L340 PolarHBondContact O-N 3.1Å; K338-L340 VanDerWaalsContact C-N 3.35Å; L340-S343 PolarHBondContact O-N 3.25Å; L340-L344 HydrophobicContact CD1-CD1 4.16Å; L340-L344 HydrophobicContact CD1-CG 4.47Å; L340-L344 HydrophobicContact CG-CD1 4.43Å; L340-L344 PolarHBondContact O-N 3.15Å
341	K	86.4	Confident	85.9	Confident	134 Å²	134	67.9 Å²	67.9	58%	0.583	35%	0.352	S	S	*	.	H	α-helix	trans	-61.4	-44.7	176.4	-73.4	172.2	-177.1	175.4	0	111.6	D337 K338 L344 S345	D337-K341 WeakPolarHBondContact O-CB 3.47Å; D337-K341 VanDerWaalsContact O-CG 3.28Å; D337-K341 WeakPolarHBondContact O-CG 3.38Å; D337-K341 PolarHBondContact O-N 3.05Å; K338-K341 PolarHBondContact O-N 2.82Å; K341-L344 PolarHBondContact O-N 2.96Å; K341-S345 VanDerWaalsContact O-CB 3.24Å; K341-S345 WeakPolarHBondContact O-CB 3.49Å; K341-S345 PolarHBondContact O-N 3.38Å; K341-S345 PolarHBondContact O-OG 3.47Å
342	E	87.6	Confident	85.3	Confident	94 Å²	94	70.4 Å²	70.4	44%	0.439	37%	0.365	S	S	.	.	H	α-helix	trans	-57.7	-49.3	175.7	-77	171.5	-173.8	0	0	110.9	K338 Q339 L344 S345 T346	K338-E342 WeakPolarHBondContact CE-OE1 3.36Å; K338-E342 IonicContact NZ-OE1 3.98Å; K338-E342 WeakPolarHBondContact O-CB 3.41Å; K338-E342 WeakPolarHBondContact O-CG 3.42Å; K338-E342 PolarHBondContact O-N 2.81Å; Q339-E342 PolarHBondContact O-N 3.33Å; E342-L344 PolarHBondContact O-N 3.07Å; E342-S345 VanDerWaalsContact CA-OG 3.32Å; E342-S345 WeakPolarHBondContact CA-OG 3.45Å; E342-S345 CarbonylContact O-C 3.53Å; E342-S345 WeakPolarHBondContact O-CA 3.46Å; E342-S345 PolarHBondContact O-N 3.04Å; E342-S345 PolarHBondContact O-OG 3.47Å; E342-T346 WeakPolarHBondContact O-CG2 3.32Å; E342-T346 PolarHBondContact O-N 2.91Å; E342-T346 PolarHBondContact O-OG1 2.91Å
343	S	88.4	Confident	85.1	Confident	18 Å²	18	68.3 Å²	68.3	13%	0.126	36%	0.357	C	S	.	.	H	α-helix	trans	-60.8	-43.7	-178.7	-58.5	0	0	0	0	112.5	S71 Q339 L340 S345 T346 T347	S71-S343 WeakPolarHBondContact CB-OG 3.17Å; Q339-S343 WeakPolarHBondContact O-CB 3.37Å; Q339-S343 PolarHBondContact O-N 3.42Å; Q339-S343 PolarHBondContact O-OG 3.5Å; L340-S343 PolarHBondContact O-N 3.25Å; S343-S345 VanDerWaalsContact C-N 3.33Å; S343-T346 PolarHBondContact O-N 2.93Å; S343-T346 PolarHBondContact O-OG1 3.44Å; S343-T347 PolarHBondContact O-OG1 2.97Å
344	L	88.1	Confident	84.7	Confident	7 Å²	7	66.9 Å²	66.9	4%	0.037	34%	0.344	C	S	.	.	H	α-helix	trans	-64.8	-39.1	173.9	-70.5	169.7	0	0	0	111.4	A64 A67 M295 L296 P297 L340 K341 E342 T346 T347	A64-L344 HydrophobicContact CB-CD2 4.06Å; A67-L344 HydrophobicContact CB-CD2 3.95Å; M295-L344 HydrophobicContact CB-CD1 4.38Å; M295-L344 HydrophobicContact SD-CD1 4.12Å; L296-L344 HydrophobicContact CD2-CD2 4.34Å; P297-L344 WeakPolarHBondContact CD-O 3.47Å; L340-L344 HydrophobicContact CD1-CD1 4.16Å; L340-L344 HydrophobicContact CD1-CG 4.47Å; L340-L344 HydrophobicContact CG-CD1 4.43Å; L340-L344 PolarHBondContact O-N 3.15Å; K341-L344 PolarHBondContact O-N 2.96Å; E342-L344 PolarHBondContact O-N 3.07Å; L344-T346 VanDerWaalsContact C-N 3.25Å; L344-T346 PolarHBondContact O-N 3.34Å; L344-T347 PolarHBondContact O-N 3.21Å; L344-T347 PolarHBondContact O-OG1 3.39Å
345	S	82.3	Confident	84.4	Confident	60 Å²	60	71.2 Å²	71.2	42%	0.42	37%	0.367	S	S	.	.	H	α-helix	trans	-75.6	-3	-179.6	76.4	0	0	0	0	115.6	P297 K341 E342 S343	P297-S345 WeakPolarHBondContact CG-O 3.46Å; K341-S345 VanDerWaalsContact O-CB 3.24Å; K341-S345 WeakPolarHBondContact O-CB 3.49Å; K341-S345 PolarHBondContact O-N 3.38Å; K341-S345 PolarHBondContact O-OG 3.47Å; E342-S345 VanDerWaalsContact CA-OG 3.32Å; E342-S345 WeakPolarHBondContact CA-OG 3.45Å; E342-S345 CarbonylContact O-C 3.53Å; E342-S345 WeakPolarHBondContact O-CA 3.46Å; E342-S345 PolarHBondContact O-N 3.04Å; E342-S345 PolarHBondContact O-OG 3.47Å; S343-S345 VanDerWaalsContact C-N 3.33Å
346	T	80.4	Confident	84.3	Confident	104 Å²	104	76.2 Å²	76.2	64%	0.638	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	4.5	175.7	54.2	0	0	0	0	113.1	E342 S343 L344	E342-T346 WeakPolarHBondContact O-CG2 3.32Å; E342-T346 PolarHBondContact O-N 2.91Å; E342-T346 PolarHBondContact O-OG1 2.91Å; S343-T346 PolarHBondContact O-N 2.93Å; S343-T346 PolarHBondContact O-OG1 3.44Å; L344-T346 VanDerWaalsContact C-N 3.25Å; L344-T346 PolarHBondContact O-N 3.34Å
347	T	80.4	Confident	84.2	Confident	28 Å²	28	78.1 Å²	78.1	17%	0.172	40%	0.395	C	S	.	.			trans	-77	127.9	-178.1	-44.6	0	0	0	0	110.8	T63 T300 S343 L344	T63-T347 HydrophobicContact CG2-CG2 3.32Å; T300-T347 PolarHBondContact OG1-O 2.96Å; S343-T347 PolarHBondContact O-OG1 2.97Å; L344-T347 PolarHBondContact O-N 3.21Å; L344-T347 PolarHBondContact O-OG1 3.39Å
348	E	75.5	Confident	84.2	Confident	181 Å²	181	75.3 Å²	75.3	85%	0.846	38%	0.378	S	S	*	.			trans	-83.1	0	-179.2	-66.4	-171.8	164	0	0	115.4	R303	R303-E348 VanDerWaalsContact CZ-OXT 3.24Å; R303-E348 PolarHBondContact NE-OXT 2.96Å; R303-E348 VanDerWaalsContact NH2-C 3.27Å; R303-E348 PolarHBondContact NH2-O 2.93Å; R303-E348 PolarHBondContact NH2-OXT 3.15Å

Retrieved 348 of 348 residues in 406.2 ms (Link to these results)

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