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Elongation factor 1-alpha 1

Translation elongation factor that catalyzes the GTP-dependent binding of aminoacyl-tRNA (aa-tRNA) to the A-site of ribosomes during the elongation phase of protein synthesis. Base pairing between the mRNA codon and the aa-tRNA anticodon promotes GTP hydrolysis, releasing the aa-tRNA from EEF1A1 and allowing its accommodation into the ribosome. The growing protein chain is subsequently transferred from the P-site peptidyl tRNA to the A-site aa-tRNA, extending it by one amino acid through ribosome-catalyzed peptide bond formation.

AlphaFold DB , UniProt , Accession Q90835, Species CHICK (Gallus gallus, Chicken), Gene EEF1A, Length 462 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	33.4	Very low	75.3	Confident	243 Å²	243	80.6 Å²	80.6	100%	1.197	42%	0.423	S	S	*	.				0	114.4	0	-79.6	170.4	150.7	0	0	107.1	K3	M1-K3 PolarHBondContact O-N 3.15Å
2	G	45.6	Very low	76.9	Confident	77 Å²	77	74.2 Å²	74.2	79%	0.794	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-58.8	137.1	175.2	0	0	0	0	0	109	E4	G2-E4 PolarHBondContact O-N 3.4Å; G2-E4 VanDerWaalsContact O-N 3.13Å
3	K	53.2	Low	78.2	Confident	206 Å²	206	68.5 Å²	68.5	90%	0.896	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-55.6	121.7	173	-82.3	-177.8	175.5	178.7	0	107.7	M1 K5	M1-K3 PolarHBondContact O-N 3.15Å; K3-K5 PolarHBondContact O-N 3.35Å
4	E	72.2	Confident	79.2	Confident	191 Å²	191	63.6 Å²	63.6	89%	0.893	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-57.1	122.6	174.8	-153.4	172.4	-167.7	0	0	108.3	G2	G2-E4 PolarHBondContact O-N 3.4Å; G2-E4 VanDerWaalsContact O-N 3.13Å
5	K	84.6	Confident	80	Confident	73 Å²	73	62.1 Å²	62.1	32%	0.317	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-65.7	141.7	-177.6	-71.1	179.1	-178	168.5	0	109	K3 H7 E81 T82	K3-K5 PolarHBondContact O-N 3.35Å; K5-H7 PolarHBondContact O-N 3.07Å; K5-E81 IonicContact NZ-OE2 3.67Å; K5-E81 PolarHBondContact NZ-OE2 2.8Å; K5-T82 WeakPolarHBondContact CE-O 3.36Å; K5-T82 PolarHBondContact NZ-O 3.22Å
6	T	86.1	Confident	80.4	Confident	72 Å²	72	60 Å²	60	44%	0.442	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	133.4	178.3	-53.8	0	0	0	0	110.4	I8 Y85 Y86 P237	T6-I8 HydrophobicContact CG2-CD1 4.49Å; T6-Y85 HydrophobicContact CG2-CE1 4.49Å; T6-Y85 WeakPolarHBondContact O-CA 3.37Å; T6-Y85 WeakPolarHBondContact O-CD1 3.36Å; T6-Y86 PolarHBondContact O-N 3.35Å; T6-P237 HydrophobicContact CG2-CB 4.31Å
7	H	85.6	Confident	80.8	Confident	25 Å²	25	62.2 Å²	62.2	12%	0.116	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	127.5	178.3	179.2	-143.2	0	0	0	112.1	K5 N9 Y86 T88 R240 G305 D306	K5-H7 PolarHBondContact O-N 3.07Å; H7-N9 PolarHBondContact CE1-OD1 2.98Å; H7-N9 PolarHBondContact NE2-OD1 3.47Å; H7-Y86 VanDerWaalsContact CA-O 3.3Å; H7-Y86 WeakPolarHBondContact CA-O 3.49Å; H7-Y86 HydrophobicContact CB-CD1 4.12Å; H7-Y86 AromaticContact CD2-CD1 3.4Å; H7-Y86 VanDerWaalsContact CD2-CD1 3.4Å; H7-Y86 WeakPolarHBondContact CD2-CD1 3.46Å; H7-Y86 AromaticContact CD2-CE1 3.74Å; H7-Y86 PolarHBondContact CD2-O 3.34Å; H7-Y86 AromaticContact CG-CD1 3.92Å; H7-T88 PolarHBondContact NE2-OG1 2.93Å; H7-R240 PolarHBondContact O-NH2 2.98Å; H7-G305 PolarHBondContact CE1-O 3.39Å; H7-D306 IonicContact ND1-OD1 2.81Å
8	I	90.7	Very high	81.4	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132.5	178.1	-59.5	-65.7	0	0	0	109.8	T6 I10 Y85 Y86 V87 T88 D110 I235 P238	T6-I8 HydrophobicContact CG2-CD1 4.49Å; I8-I10 HydrophobicContact CG2-CD1 4.22Å; I8-I10 HydrophobicContact CG2-CG1 3.78Å; I8-Y85 HydrophobicContact CD1-CD1 4.44Å; I8-Y85 HydrophobicContact CD1-CE1 4.45Å; I8-Y85 HydrophobicContact CG1-CD1 3.7Å; I8-Y85 HydrophobicContact CG1-CD2 4.18Å; I8-Y85 HydrophobicContact CG1-CE1 4.15Å; I8-Y85 HydrophobicContact CG1-CG 3.74Å; I8-Y86 PolarHBondContact N-O 3.32Å; I8-V87 WeakPolarHBondContact O-CA 3.49Å; I8-T88 PolarHBondContact O-N 2.94Å; I8-D110 HydrophobicContact CG2-CB 4.25Å; I8-I235 HydrophobicContact CG2-CD1 4.3Å; I8-I235 HydrophobicContact CG2-CG2 4.1Å; I8-P238 HydrophobicContact CD1-CG 4.35Å
9	N	90.3	Very high	81.8	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	128.8	172.5	-60	-79.1	0	0	0	110.1	H7 T88 Q108 D110 C111 G305 N307	H7-N9 PolarHBondContact CE1-OD1 2.98Å; H7-N9 PolarHBondContact NE2-OD1 3.47Å; N9-T88 CarbonylContact C-O 3.57Å; N9-T88 WeakPolarHBondContact CA-O 3.45Å; N9-T88 WeakPolarHBondContact OD1-CB 3.33Å; N9-Q108 WeakPolarHBondContact CB-O 3.45Å; N9-D110 WeakPolarHBondContact CB-OD2 3.39Å; N9-D110 PolarHBondContact N-OD2 2.84Å; N9-D110 PolarHBondContact ND2-OD2 2.9Å; N9-D110 VanDerWaalsContact ND2-OD2 3.13Å; N9-D110 WeakPolarHBondContact O-CA 3.44Å; N9-D110 WeakPolarHBondContact O-CB 3.34Å; N9-D110 PolarHBondContact O-N 3.46Å; N9-C111 PolarHBondContact O-N 3.24Å; N9-G305 PolarHBondContact ND2-O 3.36Å; N9-N307 PolarHBondContact OD1-ND2 3.15Å
10	I	93.5	Very high	82.3	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.8	-176.3	-55.4	-175.5	0	0	0	109	I8 V87 T88 I89 I90 C111 V113 L232 I235	I8-I10 HydrophobicContact CG2-CD1 4.22Å; I8-I10 HydrophobicContact CG2-CG1 3.78Å; I10-V87 HydrophobicContact CB-CG1 4.37Å; I10-V87 HydrophobicContact CD1-CG1 3.57Å; I10-V87 HydrophobicContact CD1-CG2 4.33Å; I10-V87 HydrophobicContact CG1-CG1 3.88Å; I10-T88 PolarHBondContact N-O 3.18Å; I10-I89 CarbonylContact O-C 3.54Å; I10-I89 WeakPolarHBondContact O-CA 2.9Å; I10-I90 PolarHBondContact O-N 2.8Å; I10-C111 WeakPolarHBondContact CA-O 3.41Å; I10-V113 HydrophobicContact CG2-CB 4.41Å; I10-V113 HydrophobicContact CG2-CG2 3.48Å; I10-V113 VanDerWaalsContact CG2-CG2 3.48Å; I10-L232 HydrophobicContact CD1-CB 4.42Å; I10-L232 HydrophobicContact CD1-CD2 3.64Å; I10-L232 HydrophobicContact CD1-CG 4.47Å; I10-L232 HydrophobicContact CG2-CD2 4.38Å; I10-I235 HydrophobicContact CD1-CD1 3.43Å; I10-I235 VanDerWaalsContact CD1-CD1 3.43Å; I10-I235 HydrophobicContact CG1-CD1 4.06Å
11	V	93.6	Very high	82.7	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	132.8	172.6	66.5	0	0	0	0	110.7	I13 I90 A92 T106 A109 C111 A112 V113	V11-I13 HydrophobicContact CG1-CG2 4.1Å; V11-I13 HydrophobicContact CG2-CG2 3.83Å; V11-I90 WeakPolarHBondContact CA-O 3.48Å; V11-I90 HydrophobicContact CB-CB 4.34Å; V11-I90 HydrophobicContact CG2-CB 4.27Å; V11-I90 HydrophobicContact CG2-CG2 4.39Å; V11-A92 HydrophobicContact CG2-CB 3.66Å; V11-T106 HydrophobicContact CG1-CG2 4.37Å; V11-A109 HydrophobicContact CB-CB 3.64Å; V11-A109 HydrophobicContact CG1-CB 3.44Å; V11-A109 VanDerWaalsContact CG1-CB 3.44Å; V11-C111 PolarHBondContact N-O 3.17Å; V11-A112 HydrophobicContact CG1-CB 3.88Å; V11-A112 CarbonylContact O-C 3.57Å; V11-A112 WeakPolarHBondContact O-CA 3.28Å; V11-V113 PolarHBondContact O-N 3.06Å
12	V	94.1	Very high	85.4	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116.9	173.7	-172.8	0	0	0	0	108.7	K20 T24 I89 I90 A92 V113 I115	V12-K20 HydrophobicContact CG1-CB 3.89Å; V12-K20 HydrophobicContact CG1-CG 4.15Å; V12-T24 WeakPolarHBondContact CG2-OG1 3.39Å; V12-I89 HydrophobicContact CG2-CD1 3.7Å; V12-I89 HydrophobicContact CG2-CG1 3.73Å; V12-I90 PolarHBondContact N-O 2.91Å; V12-A92 WeakPolarHBondContact O-CB 3.4Å; V12-A92 PolarHBondContact O-N 3.46Å; V12-V113 WeakPolarHBondContact CA-O 3.3Å; V12-V113 HydrophobicContact CG2-CB 4.42Å; V12-I115 HydrophobicContact CG1-CG1 3.65Å
13	I	94.4	Very high	87.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	156.3	-175.9	59.5	170.5	0	0	0	110.6	V11 A92 M102 A112 V113 L114 I115 H136 A140	V11-I13 HydrophobicContact CG1-CG2 4.1Å; V11-I13 HydrophobicContact CG2-CG2 3.83Å; I13-A92 HydrophobicContact CG2-CB 4.38Å; I13-M102 HydrophobicContact CG2-CG 4.41Å; I13-M102 HydrophobicContact CG2-SD 4.14Å; I13-A112 HydrophobicContact CD1-CB 3.86Å; I13-A112 HydrophobicContact CG1-CB 4.26Å; I13-V113 PolarHBondContact N-O 2.96Å; I13-L114 HydrophobicContact CD1-CD1 4.04Å; I13-L114 HydrophobicContact CG1-CB 4.27Å; I13-L114 HydrophobicContact CG1-CD1 3.84Å; I13-L114 CarbonylContact O-C 3.55Å; I13-L114 WeakPolarHBondContact O-CA 3.18Å; I13-I115 PolarHBondContact O-N 3.07Å; I13-H136 HydrophobicContact CB-CB 4.08Å; I13-H136 HydrophobicContact CD1-CB 4.12Å; I13-A140 HydrophobicContact CD1-CB 3.9Å
14	G	92.2	Very high	89.4	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.3	177.5	178.3	0	0	0	0	0	112.5	H136	G14-H136 PolarHBondContact N-ND1 3.43Å; G14-H136 PolarHBondContact O-CE1 3.16Å; G14-H136 PolarHBondContact O-ND1 3.43Å
15	H	90.8	Very high	90.2	Very high	42 Å²	42	19.4 Å²	19.4	19%	0.194	11%	0.106	C	C	.	.			trans	-62.7	160.2	179.8	-163.2	43.6	0	0	0	112.7	S18 K20 Q132	H15-S18 WeakPolarHBondContact O-CB 3.17Å; H15-S18 PolarHBondContact O-N 2.9Å; H15-S18 PolarHBondContact O-OG 3.42Å; H15-S18 VanDerWaalsContact O-OG 3.06Å; H15-K20 PolarHBondContact O-NZ 3.06Å; H15-Q132 PolarHBondContact CE1-OE1 2.89Å; H15-Q132 PolarHBondContact ND1-OE1 2.92Å
16	V	86.8	Confident	90.4	Very high	28 Å²	28	16.1 Å²	16.1	17%	0.17	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	143.3	163.7	177.7	0	0	0	0	108.2	S18 I71 H95 Q132	V16-S18 PolarHBondContact O-N 3.21Å; V16-I71 HydrophobicContact CG1-CG2 4.3Å; V16-H95 HydrophobicContact CG2-CB 4.06Å; V16-Q132 VanDerWaalsContact CG2-OE1 3.24Å
17	D	86.7	Confident	90.6	Very high	98 Å²	98	12.9 Å²	12.9	52%	0.524	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	9.2	-178.9	-53.3	-29.8	0	0	0	116.6	G19 K154	D17-G19 PolarHBondContact O-N 3.48Å; D17-G19 VanDerWaalsContact O-N 3.09Å; D17-K154 WeakPolarHBondContact O-CE 3.41Å; D17-K154 PolarHBondContact O-NZ 3.09Å
18	S	91.1	Very high	90.6	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.007	7%	0.066	C	C	.	.	S	Bend	trans	-69.7	-6.2	175.2	75.2	0	0	0	0	114.2	H15 V16 K20 I115 N153	H15-S18 WeakPolarHBondContact O-CB 3.17Å; H15-S18 PolarHBondContact O-N 2.9Å; H15-S18 PolarHBondContact O-OG 3.42Å; H15-S18 VanDerWaalsContact O-OG 3.06Å; V16-S18 PolarHBondContact O-N 3.21Å; S18-K20 WeakPolarHBondContact OG-CG 3.32Å; S18-I115 WeakPolarHBondContact CB-O 3.34Å; S18-I115 WeakPolarHBondContact O-CG2 3.36Å; S18-I115 PolarHBondContact OG-O 3.14Å; S18-I115 VanDerWaalsContact OG-O 3.07Å; S18-N153 PolarHBondContact O-ND2 3.27Å
19	G	90	Very high	90.4	Very high	13 Å²	13	14.3 Å²	14.3	13%	0.134	8%	0.077	C	C	.	.	S	Bend	trans	86.3	20.2	179.4	0	0	0	0	0	114.9	D17 S21 T22 T23	D17-G19 PolarHBondContact O-N 3.48Å; D17-G19 VanDerWaalsContact O-N 3.09Å; G19-S21 PolarHBondContact O-N 2.72Å; G19-T22 PolarHBondContact O-N 3.47Å; G19-T23 WeakPolarHBondContact O-CB 3.35Å; G19-T23 PolarHBondContact O-N 3.18Å; G19-T23 PolarHBondContact O-OG1 2.75Å
20	K	91.9	Very high	90	Very high	12 Å²	12	19.7 Å²	19.7	5%	0.052	10%	0.1	C	C	.	.	H	α-helix	trans	-47.7	-58.4	177.4	-62.5	177.2	-56.5	-56.2	0	113.4	V12 H15 S18 T22 T23 T24 A92 I115	V12-K20 HydrophobicContact CG1-CB 3.89Å; V12-K20 HydrophobicContact CG1-CG 4.15Å; H15-K20 PolarHBondContact O-NZ 3.06Å; S18-K20 WeakPolarHBondContact OG-CG 3.32Å; K20-T22 PolarHBondContact O-N 3.25Å; K20-T23 PolarHBondContact O-N 2.68Å; K20-T24 VanDerWaalsContact O-CB 3.31Å; K20-T24 WeakPolarHBondContact O-CB 3.49Å; K20-T24 PolarHBondContact O-N 2.88Å; K20-T24 PolarHBondContact O-OG1 3.24Å; K20-A92 WeakPolarHBondContact CE-O 3.33Å; K20-I115 HydrophobicContact CG-CB 4.03Å; K20-I115 HydrophobicContact CG-CG1 4.28Å
21	S	90	Very high	89.5	Confident	12 Å²	12	21.4 Å²	21.4	8%	0.084	11%	0.112	C	C	.	.	H	α-helix	trans	-69	-36.3	-175.1	-44.8	0	0	0	0	111.4	G19 T24 G25 L60 T72 D91	G19-S21 PolarHBondContact O-N 2.72Å; S21-T24 PolarHBondContact O-N 3.28Å; S21-G25 PolarHBondContact O-N 2.97Å; S21-L60 WeakPolarHBondContact O-CD1 3.33Å; S21-T72 PolarHBondContact OG-OG1 2.87Å; S21-D91 VanDerWaalsContact CB-OD2 3.28Å; S21-D91 WeakPolarHBondContact CB-OD2 3.46Å; S21-D91 PolarHBondContact OG-OD2 2.89Å
22	T	90.3	Very high	88.7	Confident	22 Å²	22	24.3 Å²	24.3	14%	0.135	14%	0.142	C	C	.	.	H	α-helix	trans	-62.2	-50.7	173.4	-52.1	0	0	0	0	111.2	G19 K20 T24 G25 H26 Y56 W196	G19-T22 PolarHBondContact O-N 3.47Å; K20-T22 PolarHBondContact O-N 3.25Å; T22-T24 VanDerWaalsContact C-N 3.33Å; T22-T24 PolarHBondContact O-N 2.96Å; T22-G25 PolarHBondContact O-N 3.47Å; T22-H26 VanDerWaalsContact O-CB 3.27Å; T22-H26 WeakPolarHBondContact O-CB 3.43Å; T22-H26 PolarHBondContact O-N 3.25Å; T22-Y56 HydrophobicContact CG2-CD2 4.07Å; T22-Y56 WeakPolarHBondContact O-CB 3.41Å; T22-W196 HydrophobicContact CG2-CE3 3.95Å
23	T	91.7	Very high	87.6	Confident	4 Å²	4	26 Å²	26	3%	0.025	16%	0.16	C	C	.	.	H	α-helix	trans	-59.9	-44.4	177.3	-62.1	0	0	0	0	111.2	G19 K20 H26 L27 I115 N153 I193 M201 L228	G19-T23 WeakPolarHBondContact O-CB 3.35Å; G19-T23 PolarHBondContact O-N 3.18Å; G19-T23 PolarHBondContact O-OG1 2.75Å; K20-T23 PolarHBondContact O-N 2.68Å; T23-H26 PolarHBondContact O-N 3.15Å; T23-L27 WeakPolarHBondContact O-CB 3.42Å; T23-L27 PolarHBondContact O-N 3.1Å; T23-I115 HydrophobicContact CG2-CD1 4.09Å; T23-N153 PolarHBondContact OG1-ND2 2.64Å; T23-I193 HydrophobicContact CG2-CD1 3.76Å; T23-M201 HydrophobicContact CG2-CE 3.57Å; T23-M201 HydrophobicContact CG2-SD 3.81Å; T23-M201 VanDerWaalsContact O-CE 3.26Å; T23-M201 WeakPolarHBondContact O-CE 3.46Å; T23-L228 HydrophobicContact CG2-CD2 4.02Å
24	T	90.7	Very high	86.8	Confident	3 Å²	3	26.9 Å²	26.9	2%	0.018	17%	0.165	C	C	.	.	H	α-helix	trans	-66.1	-48.3	-179.6	-58.7	0	0	0	0	111.7	V12 K20 S21 T22 H26 L27 I28 L60 I89 D91	V12-T24 WeakPolarHBondContact CG2-OG1 3.39Å; K20-T24 VanDerWaalsContact O-CB 3.31Å; K20-T24 WeakPolarHBondContact O-CB 3.49Å; K20-T24 PolarHBondContact O-N 2.88Å; K20-T24 PolarHBondContact O-OG1 3.24Å; S21-T24 PolarHBondContact O-N 3.28Å; T22-T24 VanDerWaalsContact C-N 3.33Å; T22-T24 PolarHBondContact O-N 2.96Å; T24-H26 VanDerWaalsContact C-N 3.32Å; T24-H26 PolarHBondContact O-N 2.94Å; T24-L27 WeakPolarHBondContact O-CB 3.42Å; T24-L27 PolarHBondContact O-N 2.86Å; T24-I28 HydrophobicContact CG2-CD1 3.93Å; T24-I28 WeakPolarHBondContact O-CD1 3.24Å; T24-I28 VanDerWaalsContact O-CG1 3.28Å; T24-I28 WeakPolarHBondContact O-CG1 3.34Å; T24-I28 PolarHBondContact O-N 2.88Å; T24-L60 HydrophobicContact CG2-CD1 3.56Å; T24-L60 HydrophobicContact CG2-CD2 4.21Å; T24-I89 HydrophobicContact CG2-CD1 3.65Å; T24-I89 HydrophobicContact CG2-CG1 3.8Å; T24-I89 HydrophobicContact CG2-CG2 4.1Å; T24-D91 HydrophobicContact CG2-CB 4.42Å
25	G	88.6	Confident	86.2	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64	-37.1	177.7	0	0	0	0	0	112.7	S21 T22 I28 Y29 Y56	S21-G25 PolarHBondContact O-N 2.97Å; T22-G25 PolarHBondContact O-N 3.47Å; G25-I28 PolarHBondContact O-N 2.86Å; G25-Y29 WeakPolarHBondContact O-CB 3.32Å; G25-Y29 PolarHBondContact O-N 2.87Å; G25-Y56 WeakPolarHBondContact CA-O 2.98Å
26	H	89.7	Confident	85.8	Confident	4 Å²	4	35 Å²	35	2%	0.019	20%	0.203	C	C	.	.	H	α-helix	trans	-67.4	-41.4	175.3	-163.3	167.1	0	0	0	111.3	T22 T23 T24 Y29 K30 Y56 G195 W196 G198	T22-H26 VanDerWaalsContact O-CB 3.27Å; T22-H26 WeakPolarHBondContact O-CB 3.43Å; T22-H26 PolarHBondContact O-N 3.25Å; T23-H26 PolarHBondContact O-N 3.15Å; T24-H26 VanDerWaalsContact C-N 3.32Å; T24-H26 PolarHBondContact O-N 2.94Å; H26-Y29 PolarHBondContact O-N 2.93Å; H26-K30 VanDerWaalsContact CD2-CG 3.47Å; H26-K30 WeakPolarHBondContact CD2-CG 3.49Å; H26-K30 WeakPolarHBondContact NE2-CE 3.38Å; H26-K30 WeakPolarHBondContact O-CB 3.31Å; H26-K30 WeakPolarHBondContact O-CG 3.18Å; H26-K30 PolarHBondContact O-N 3.24Å; H26-Y56 HydrophobicContact CB-CD1 4.05Å; H26-Y56 HydrophobicContact CB-CD2 3.93Å; H26-Y56 HydrophobicContact CB-CE1 4.28Å; H26-Y56 HydrophobicContact CB-CE2 4.13Å; H26-Y56 HydrophobicContact CB-CG 3.88Å; H26-Y56 AromaticContact CD2-CE1 3.96Å; H26-Y56 AromaticContact CD2-CZ 3.72Å; H26-Y56 AromaticContact CE1-CE2 3.92Å; H26-Y56 AromaticContact CE1-CZ 3.93Å; H26-Y56 AromaticContact CG-CE2 3.75Å; H26-Y56 AromaticContact CG-CZ 3.75Å; H26-Y56 AromaticContact ND1-CE2 3.57Å; H26-Y56 AromaticContact ND1-CZ 3.88Å; H26-Y56 AromaticContact NE2-CZ 3.87Å; H26-Y56 PolarHBondContact NE2-OH 3.19Å; H26-G195 PolarHBondContact ND1-O 3.07Å; H26-W196 PolarHBondContact CE1-O 3.12Å; H26-W196 PolarHBondContact ND1-O 3Å; H26-G198 VanDerWaalsContact CE1-CA 3.45Å; H26-G198 WeakPolarHBondContact CE1-CA 3.26Å
27	L	89	Confident	85.6	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.016	23%	0.233	C	C	.	.	H	α-helix	trans	-59.3	-48.8	174.3	-175	66.4	0	0	0	111.3	T23 T24 Y29 K30 C31 F80 I89 M201 L202 L229 L232	T23-L27 WeakPolarHBondContact O-CB 3.42Å; T23-L27 PolarHBondContact O-N 3.1Å; T24-L27 WeakPolarHBondContact O-CB 3.42Å; T24-L27 PolarHBondContact O-N 2.86Å; L27-Y29 VanDerWaalsContact C-N 3.34Å; L27-Y29 PolarHBondContact O-N 2.64Å; L27-K30 PolarHBondContact O-N 3.44Å; L27-C31 WeakPolarHBondContact O-CB 3.23Å; L27-C31 PolarHBondContact O-N 2.83Å; L27-C31 PolarHBondContact O-SG 2.83Å; L27-C31 VanDerWaalsContact O-SG 3.34Å; L27-F80 HydrophobicContact CD2-CE1 3.84Å; L27-F80 HydrophobicContact CD2-CE2 4.09Å; L27-F80 HydrophobicContact CD2-CZ 3.46Å; L27-F80 VanDerWaalsContact CD2-CZ 3.46Å; L27-F80 HydrophobicContact CG-CE1 4.34Å; L27-F80 HydrophobicContact CG-CE2 4.32Å; L27-F80 HydrophobicContact CG-CZ 4.07Å; L27-I89 HydrophobicContact CD2-CD1 4.15Å; L27-M201 HydrophobicContact CB-CE 3.93Å; L27-M201 HydrophobicContact CD1-CE 4.41Å; L27-L202 HydrophobicContact CD1-CD1 3.87Å; L27-L229 HydrophobicContact CD1-CD1 4.38Å; L27-L232 HydrophobicContact CD2-CD1 3.63Å
28	I	87	Confident	85.3	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60	-45.4	178.7	-65.1	159.8	0	0	0	110.9	T24 G25 C31 G32 G33 I34 L60 W78 F80 I89	T24-I28 HydrophobicContact CG2-CD1 3.93Å; T24-I28 WeakPolarHBondContact O-CD1 3.24Å; T24-I28 VanDerWaalsContact O-CG1 3.28Å; T24-I28 WeakPolarHBondContact O-CG1 3.34Å; T24-I28 PolarHBondContact O-N 2.88Å; G25-I28 PolarHBondContact O-N 2.86Å; I28-C31 PolarHBondContact O-N 3.12Å; I28-G32 PolarHBondContact O-N 2.85Å; I28-G33 WeakPolarHBondContact O-CA 3.4Å; I28-G33 PolarHBondContact O-N 2.83Å; I28-I34 HydrophobicContact CB-CD1 4.37Å; I28-I34 HydrophobicContact CG2-CD1 3.66Å; I28-I34 HydrophobicContact CG2-CG1 3.91Å; I28-L60 HydrophobicContact CD1-CD2 3.73Å; I28-W78 HydrophobicContact CD1-CB 3.48Å; I28-W78 VanDerWaalsContact CD1-CB 3.48Å; I28-W78 HydrophobicContact CD1-CD2 4.35Å; I28-W78 HydrophobicContact CD1-CG 3.78Å; I28-W78 HydrophobicContact CG1-CB 4.29Å; I28-W78 HydrophobicContact CG2-CE3 4.33Å; I28-F80 HydrophobicContact CG1-CD1 4.29Å; I28-I89 HydrophobicContact CD1-CG2 3.94Å; I28-I89 HydrophobicContact CG1-CG2 4.14Å
29	Y	85.2	Confident	84.9	Confident	56 Å²	56	41.3 Å²	41.3	22%	0.22	22%	0.222	C	C	.	.	H	α-helix	trans	-58	-51.8	177.1	171.8	-135.1	0	0	0	112.1	G25 H26 L27 C31 G32 I34 I39 Y56	G25-Y29 WeakPolarHBondContact O-CB 3.32Å; G25-Y29 PolarHBondContact O-N 2.87Å; H26-Y29 PolarHBondContact O-N 2.93Å; L27-Y29 VanDerWaalsContact C-N 3.34Å; L27-Y29 PolarHBondContact O-N 2.64Å; Y29-C31 VanDerWaalsContact C-N 3.3Å; Y29-C31 PolarHBondContact O-N 2.82Å; Y29-G32 PolarHBondContact O-N 2.91Å; Y29-I34 WeakPolarHBondContact CD2-O 3.44Å; Y29-I39 VanDerWaalsContact CB-CD1 3.43Å; Y29-I39 HydrophobicContact CD1-CD1 3.67Å; Y29-I39 HydrophobicContact CD2-CD1 3.06Å; Y29-I39 HydrophobicContact CD2-CG1 4.34Å; Y29-I39 HydrophobicContact CE1-CD1 4.12Å; Y29-I39 HydrophobicContact CE2-CD1 3.59Å; Y29-I39 HydrophobicContact CG-CD1 3.08Å; Y29-Y56 AromaticContact CD1-CE1 3.72Å; Y29-Y56 HydrophobicContact CD1-CE1 3.72Å; Y29-Y56 HydrophobicContact CE1-CE1 4.39Å; Y29-Y56 HydrophobicContact CG-CE1 4.38Å
30	K	83.3	Confident	84.5	Confident	112 Å²	112	45.2 Å²	45.2	49%	0.487	24%	0.237	S	C	.	.	H	α-helix	trans	-68.3	-30.1	-175.5	-76.9	-79.7	-173.2	169.8	0	112.7	H26 L27 G32 L202	H26-K30 VanDerWaalsContact CD2-CG 3.47Å; H26-K30 WeakPolarHBondContact CD2-CG 3.49Å; H26-K30 WeakPolarHBondContact NE2-CE 3.38Å; H26-K30 WeakPolarHBondContact O-CB 3.31Å; H26-K30 WeakPolarHBondContact O-CG 3.18Å; H26-K30 PolarHBondContact O-N 3.24Å; L27-K30 PolarHBondContact O-N 3.44Å; K30-G32 PolarHBondContact O-N 3.03Å; K30-L202 HydrophobicContact CB-CD1 3.41Å; K30-L202 VanDerWaalsContact CB-CD1 3.41Å; K30-L202 HydrophobicContact CB-CD2 3.64Å; K30-L202 HydrophobicContact CB-CG 4.15Å; K30-L202 HydrophobicContact CG-CD1 4.08Å
31	C	82.9	Confident	84.2	Confident	36 Å²	36	50.6 Å²	50.6	24%	0.243	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	7.5	170.7	-66.8	0	0	0	0	113.5	L27 I28 Y29 G33 F80	L27-C31 WeakPolarHBondContact O-CB 3.23Å; L27-C31 PolarHBondContact O-N 2.83Å; L27-C31 PolarHBondContact O-SG 2.83Å; L27-C31 VanDerWaalsContact O-SG 3.34Å; I28-C31 PolarHBondContact O-N 3.12Å; Y29-C31 VanDerWaalsContact C-N 3.3Å; Y29-C31 PolarHBondContact O-N 2.82Å; C31-G33 VanDerWaalsContact C-N 3.33Å; C31-G33 PolarHBondContact O-N 2.84Å; C31-F80 HydrophobicContact CB-CB 3.73Å; C31-F80 HydrophobicContact CB-CD2 4.07Å; C31-F80 HydrophobicContact CB-CG 4.16Å
32	G	76.5	Confident	83.9	Confident	62 Å²	62	51.8 Å²	51.8	64%	0.639	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	10.9	176.1	0	0	0	0	0	114.7	I28 Y29 K30 I34	I28-G32 PolarHBondContact O-N 2.85Å; Y29-G32 PolarHBondContact O-N 2.91Å; K30-G32 PolarHBondContact O-N 3.03Å; G32-I34 PolarHBondContact O-N 2.74Å
33	G	71.6	Confident	83.4	Confident	39 Å²	39	54.4 Å²	54.4	40%	0.402	28%	0.275	S	S	.	.	S	Bend	trans	-70.3	-15.9	178.9	0	0	0	0	0	113.8	I28 C31	I28-G33 WeakPolarHBondContact O-CA 3.4Å; I28-G33 PolarHBondContact O-N 2.83Å; C31-G33 VanDerWaalsContact C-N 3.33Å; C31-G33 PolarHBondContact O-N 2.84Å
34	I	76.5	Confident	83	Confident	18 Å²	18	60.8 Å²	60.8	9%	0.092	30%	0.302	C	S	.	.	S	Bend	trans	-138.5	134	-178.2	-61	161.9	0	0	0	109.3	I28 Y29 G32 T38 I39 V59 W78	I28-I34 HydrophobicContact CB-CD1 4.37Å; I28-I34 HydrophobicContact CG2-CD1 3.66Å; I28-I34 HydrophobicContact CG2-CG1 3.91Å; Y29-I34 WeakPolarHBondContact CD2-O 3.44Å; G32-I34 PolarHBondContact O-N 2.74Å; I34-T38 HydrophobicContact CG2-CG2 3.9Å; I34-I39 HydrophobicContact CB-CD1 4.47Å; I34-I39 HydrophobicContact CG2-CD1 4.09Å; I34-I39 HydrophobicContact CG2-CG1 3.8Å; I34-V59 HydrophobicContact CD1-CB 3.93Å; I34-V59 HydrophobicContact CD1-CG1 3.1Å; I34-V59 HydrophobicContact CD1-CG2 3.55Å; I34-V59 HydrophobicContact CG1-CG1 4.4Å; I34-W78 HydrophobicContact CG1-CZ3 4.38Å
35	D	80.3	Confident	82.5	Confident	83 Å²	83	63.3 Å²	63.3	44%	0.444	31%	0.314	S	S	.	.			trans	-74.6	152.6	176.8	74.4	93.2	0	0	0	111.9	R37 T38 I39	D35-R37 VanDerWaalsContact C-N 3.26Å; D35-R37 PolarHBondContact O-N 3.2Å; D35-R37 WeakPolarHBondContact OD1-CA 3.17Å; D35-R37 VanDerWaalsContact OD1-CB 3.23Å; D35-R37 WeakPolarHBondContact OD1-CB 3.45Å; D35-R37 PolarHBondContact OD1-N 2.86Å; D35-T38 PolarHBondContact O-N 3.16Å; D35-T38 PolarHBondContact OD1-N 3.18Å; D35-T38 PolarHBondContact OD1-OG1 2.91Å; D35-T38 VanDerWaalsContact OD2-CB 3.32Å; D35-T38 WeakPolarHBondContact OD2-CB 3.37Å; D35-T38 PolarHBondContact OD2-OG1 2.85Å; D35-I39 PolarHBondContact O-N 2.92Å
36	K	81.3	Confident	82	Confident	129 Å²	129	63.3 Å²	63.3	56%	0.561	31%	0.314	S	S	*	.	H	α-helix	trans	-57.9	-35.3	-177.8	-170.1	-178.7	-179	-164.5	0	113.3	I39 E40	K36-I39 PolarHBondContact O-N 2.86Å; K36-E40 WeakPolarHBondContact CE-OE1 3.46Å; K36-E40 HydrophobicContact CG-CG 4.49Å; K36-E40 IonicContact NZ-OE1 3.01Å; K36-E40 WeakPolarHBondContact O-CG 3.26Å; K36-E40 PolarHBondContact O-N 3.31Å
37	R	82.6	Confident	81.4	Confident	208 Å²	208	66 Å²	66	79%	0.785	34%	0.336	S	S	*	.	H	α-helix	trans	-68.4	-39.1	-177.5	-58.3	176.4	172.7	174.3	-2.2	111.1	D35 I39 E40 K41	D35-R37 VanDerWaalsContact C-N 3.26Å; D35-R37 PolarHBondContact O-N 3.2Å; D35-R37 WeakPolarHBondContact OD1-CA 3.17Å; D35-R37 VanDerWaalsContact OD1-CB 3.23Å; D35-R37 WeakPolarHBondContact OD1-CB 3.45Å; D35-R37 PolarHBondContact OD1-N 2.86Å; R37-I39 VanDerWaalsContact C-N 3.31Å; R37-I39 PolarHBondContact O-N 3.3Å; R37-E40 PolarHBondContact O-N 3.02Å; R37-K41 PolarHBondContact O-N 2.9Å
38	T	81.5	Confident	81	Confident	48 Å²	48	72.4 Å²	72.4	29%	0.294	37%	0.367	S	S	.	.	H	α-helix	trans	-61.7	-40.2	176.1	-65.2	0	0	0	0	111.5	I34 D35 K41 F42	I34-T38 HydrophobicContact CG2-CG2 3.9Å; D35-T38 PolarHBondContact O-N 3.16Å; D35-T38 PolarHBondContact OD1-N 3.18Å; D35-T38 PolarHBondContact OD1-OG1 2.91Å; D35-T38 VanDerWaalsContact OD2-CB 3.32Å; D35-T38 WeakPolarHBondContact OD2-CB 3.37Å; D35-T38 PolarHBondContact OD2-OG1 2.85Å; T38-K41 WeakPolarHBondContact O-CB 3.2Å; T38-K41 PolarHBondContact O-N 2.79Å; T38-F42 HydrophobicContact CG2-CD2 4.15Å; T38-F42 HydrophobicContact CG2-CE2 3.52Å; T38-F42 HydrophobicContact CG2-CZ 3.78Å; T38-F42 WeakPolarHBondContact O-CD2 3.04Å; T38-F42 WeakPolarHBondContact O-CG 3.47Å; T38-F42 PolarHBondContact O-N 2.85Å; T38-F42 VanDerWaalsContact O-N 3.08Å
39	I	81.6	Confident	80.3	Confident	4 Å²	4	76.7 Å²	76.7	2%	0.021	39%	0.388	C	S	.	.	H	α-helix	trans	-71.2	-40.6	176.6	-78.1	177.4	0	0	0	112.9	Y29 I34 D35 K36 R37 K41 F42 E43 K55 Y56	Y29-I39 VanDerWaalsContact CB-CD1 3.43Å; Y29-I39 HydrophobicContact CD1-CD1 3.67Å; Y29-I39 HydrophobicContact CD2-CD1 3.06Å; Y29-I39 HydrophobicContact CD2-CG1 4.34Å; Y29-I39 HydrophobicContact CE1-CD1 4.12Å; Y29-I39 HydrophobicContact CE2-CD1 3.59Å; Y29-I39 HydrophobicContact CG-CD1 3.08Å; I34-I39 HydrophobicContact CB-CD1 4.47Å; I34-I39 HydrophobicContact CG2-CD1 4.09Å; I34-I39 HydrophobicContact CG2-CG1 3.8Å; D35-I39 PolarHBondContact O-N 2.92Å; K36-I39 PolarHBondContact O-N 2.86Å; R37-I39 VanDerWaalsContact C-N 3.31Å; R37-I39 PolarHBondContact O-N 3.3Å; I39-K41 PolarHBondContact O-N 3.36Å; I39-F42 PolarHBondContact O-N 2.71Å; I39-F42 VanDerWaalsContact O-N 3.14Å; I39-E43 WeakPolarHBondContact O-CB 3.46Å; I39-E43 PolarHBondContact O-N 2.86Å; I39-K55 HydrophobicContact CG2-CD 4.38Å; I39-Y56 HydrophobicContact CD1-CD1 4.41Å; I39-Y56 HydrophobicContact CD1-CE1 4.26Å
40	E	83.2	Confident	79.6	Confident	95 Å²	95	77.5 Å²	77.5	44%	0.444	41%	0.413	S	S	.	.	H	α-helix	trans	-59.9	-37.9	174.7	-73.4	170.1	178.3	0	0	111.1	K36 R37 E43 K44	K36-E40 WeakPolarHBondContact CE-OE1 3.46Å; K36-E40 HydrophobicContact CG-CG 4.49Å; K36-E40 IonicContact NZ-OE1 3.01Å; K36-E40 WeakPolarHBondContact O-CG 3.26Å; K36-E40 PolarHBondContact O-N 3.31Å; R37-E40 PolarHBondContact O-N 3.02Å; E40-E43 PolarHBondContact O-N 3.11Å; E40-K44 PolarHBondContact O-N 3.42Å
41	K	84.9	Confident	78.8	Confident	125 Å²	125	74 Å²	74	54%	0.543	40%	0.398	S	S	.	.	H	α-helix	trans	-61.8	-48.3	172.3	179.7	-179.7	170.6	-179	0	111.7	R37 T38 I39 E43 K44 E45	R37-K41 PolarHBondContact O-N 2.9Å; T38-K41 WeakPolarHBondContact O-CB 3.2Å; T38-K41 PolarHBondContact O-N 2.79Å; I39-K41 PolarHBondContact O-N 3.36Å; K41-E43 VanDerWaalsContact C-N 3.32Å; K41-E43 PolarHBondContact O-N 3.1Å; K41-K44 PolarHBondContact O-N 3.14Å; K41-E45 WeakPolarHBondContact CE-OE1 3.43Å; K41-E45 IonicContact NZ-OE1 2.76Å; K41-E45 WeakPolarHBondContact O-CG 3.28Å; K41-E45 PolarHBondContact O-N 2.85Å
42	F	82.9	Confident	77.8	Confident	37 Å²	37	73.7 Å²	73.7	16%	0.162	40%	0.401	C	S	.	.	H	α-helix	trans	-65.2	-34.6	177.8	-65.4	-30	0	0	0	112.9	T38 I39 K44 E45 A46 W58 V59	T38-F42 HydrophobicContact CG2-CD2 4.15Å; T38-F42 HydrophobicContact CG2-CE2 3.52Å; T38-F42 HydrophobicContact CG2-CZ 3.78Å; T38-F42 WeakPolarHBondContact O-CD2 3.04Å; T38-F42 WeakPolarHBondContact O-CG 3.47Å; T38-F42 PolarHBondContact O-N 2.85Å; T38-F42 VanDerWaalsContact O-N 3.08Å; I39-F42 PolarHBondContact O-N 2.71Å; I39-F42 VanDerWaalsContact O-N 3.14Å; F42-K44 VanDerWaalsContact C-N 3.34Å; F42-E45 PolarHBondContact O-N 3.47Å; F42-A46 WeakPolarHBondContact O-CB 3.14Å; F42-A46 PolarHBondContact O-N 3.46Å; F42-W58 HydrophobicContact CB-CB 4.27Å; F42-W58 HydrophobicContact CG-CB 4.37Å; F42-V59 HydrophobicContact CD2-CG2 4.14Å; F42-V59 HydrophobicContact CE2-CG2 4.25Å
43	E	80.6	Confident	77.2	Confident	76 Å²	76	74 Å²	74	36%	0.355	39%	0.393	S	S	.	.	H	α-helix	trans	-61.8	-42.8	173.9	-177.4	158.9	-150.2	0	0	111.4	I39 E40 K41 A47 K55	I39-E43 WeakPolarHBondContact O-CB 3.46Å; I39-E43 PolarHBondContact O-N 2.86Å; E40-E43 PolarHBondContact O-N 3.11Å; K41-E43 VanDerWaalsContact C-N 3.32Å; K41-E43 PolarHBondContact O-N 3.1Å; E43-A47 VanDerWaalsContact O-CB 3.29Å; E43-A47 WeakPolarHBondContact O-CB 3.49Å; E43-A47 PolarHBondContact O-N 2.85Å; E43-K55 HydrophobicContact CB-CB 4.03Å; E43-K55 HydrophobicContact CB-CD 3.92Å; E43-K55 HydrophobicContact CG-CD 3.93Å; E43-K55 IonicContact OE1-NZ 3.69Å; E43-K55 PolarHBondContact OE1-NZ 3.45Å; E43-K55 IonicContact OE2-NZ 3.86Å; E43-K55 PolarHBondContact OE2-NZ 2.92Å
44	K	82.9	Confident	77.2	Confident	139 Å²	139	74.8 Å²	74.8	60%	0.604	39%	0.385	S	S	*	.	H	α-helix	trans	-64.6	-50.5	175.1	-170.7	-178.6	176.7	-174.2	0	112.2	E40 K41 F42 A46 A47 E48	E40-K44 PolarHBondContact O-N 3.42Å; K41-K44 PolarHBondContact O-N 3.14Å; F42-K44 VanDerWaalsContact C-N 3.34Å; K44-A46 VanDerWaalsContact C-N 3.31Å; K44-A46 PolarHBondContact O-N 2.75Å; K44-A47 PolarHBondContact O-N 2.87Å; K44-E48 WeakPolarHBondContact CE-OE1 3.13Å; K44-E48 WeakPolarHBondContact O-CG 3.46Å; K44-E48 PolarHBondContact O-N 2.79Å
45	E	80.8	Confident	77.4	Confident	55 Å²	55	75.3 Å²	75.3	26%	0.257	39%	0.387	S	S	.	.	H	α-helix	trans	-62.2	-38.9	179.3	-66.2	178.1	-176.7	0	0	111.9	K41 F42 E48 M49 W58 R67	K41-E45 WeakPolarHBondContact CE-OE1 3.43Å; K41-E45 IonicContact NZ-OE1 2.76Å; K41-E45 WeakPolarHBondContact O-CG 3.28Å; K41-E45 PolarHBondContact O-N 2.85Å; F42-E45 PolarHBondContact O-N 3.47Å; E45-E48 PolarHBondContact O-N 3.04Å; E45-M49 PolarHBondContact O-N 3.01Å; E45-W58 HydrophobicContact CB-CE3 4.19Å; E45-W58 HydrophobicContact CB-CH2 4.01Å; E45-W58 HydrophobicContact CB-CZ3 3.41Å; E45-W58 VanDerWaalsContact CB-CZ3 3.41Å; E45-R67 IonicContact OE2-NH1 2.78Å; E45-R67 PolarHBondContact OE2-NH1 3.01Å
46	A	76.8	Confident	77.5	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-69	-38.4	178	0	0	0	0	0	111.8	F42 K44 M49 G50 K51 G52 W58	F42-A46 WeakPolarHBondContact O-CB 3.14Å; F42-A46 PolarHBondContact O-N 3.46Å; K44-A46 VanDerWaalsContact C-N 3.31Å; K44-A46 PolarHBondContact O-N 2.75Å; A46-M49 PolarHBondContact O-N 3.45Å; A46-G50 PolarHBondContact O-N 2.82Å; A46-K51 WeakPolarHBondContact CB-O 3.33Å; A46-K51 CarbonylContact O-C 3.59Å; A46-K51 VanDerWaalsContact O-C 3.23Å; A46-K51 WeakPolarHBondContact O-CA 3.42Å; A46-K51 PolarHBondContact O-N 3.13Å; A46-G52 PolarHBondContact O-N 2.88Å; A46-W58 HydrophobicContact CB-CD2 4.09Å; A46-W58 HydrophobicContact CB-CH2 4.39Å; A46-W58 HydrophobicContact CB-CZ2 3.97Å
47	A	78.4	Confident	77.4	Confident	60 Å²	60	66.3 Å²	66.3	50%	0.496	34%	0.344	S	S	.	.	H	α-helix	trans	-64.1	-40.9	174	0	0	0	0	0	112.1	E43 K44 M49 G50	E43-A47 VanDerWaalsContact O-CB 3.29Å; E43-A47 WeakPolarHBondContact O-CB 3.49Å; E43-A47 PolarHBondContact O-N 2.85Å; K44-A47 PolarHBondContact O-N 2.87Å; A47-M49 PolarHBondContact O-N 2.85Å; A47-G50 PolarHBondContact O-N 2.76Å
48	E	79.7	Confident	77.2	Confident	139 Å²	139	56.6 Å²	56.6	65%	0.65	31%	0.307	S	S	*	.	H	α-helix	trans	-60.2	-30.4	175.2	-73.5	172.6	-171.7	0	0	112.5	K44 E45 G50	K44-E48 WeakPolarHBondContact CE-OE1 3.13Å; K44-E48 WeakPolarHBondContact O-CG 3.46Å; K44-E48 PolarHBondContact O-N 2.79Å; E45-E48 PolarHBondContact O-N 3.04Å; E48-G50 VanDerWaalsContact C-N 3.35Å
49	M	72.3	Confident	77.1	Confident	90 Å²	90	54.5 Å²	54.5	44%	0.443	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	6.1	174	-68.3	-169.2	66.3	0	0	114.4	E45 A46 A47 K51 W58 E68	E45-M49 PolarHBondContact O-N 3.01Å; A46-M49 PolarHBondContact O-N 3.45Å; A47-M49 PolarHBondContact O-N 2.85Å; M49-K51 VanDerWaalsContact C-N 3.27Å; M49-K51 PolarHBondContact O-N 3.36Å; M49-W58 HydrophobicContact CB-CZ2 4.38Å; M49-W58 HydrophobicContact CG-CH2 4.1Å; M49-W58 HydrophobicContact CG-CZ2 4.36Å; M49-W58 HydrophobicContact SD-CH2 3.4Å; M49-W58 WeakPolarHBondContact SD-CH2 3.48Å; M49-W58 HydrophobicContact SD-CZ2 3.64Å; M49-E68 HydrophobicContact CE-CG 4.02Å
50	G	70.2	Confident	76.9	Confident	72 Å²	72	54.3 Å²	54.3	74%	0.742	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	19.3	-176.7	0	0	0	0	0	114.1	A46 A47 E48	A46-G50 PolarHBondContact O-N 2.82Å; A47-G50 PolarHBondContact O-N 2.76Å; E48-G50 VanDerWaalsContact C-N 3.35Å
51	K	68.2	Low	76.7	Confident	39 Å²	39	50 Å²	50	17%	0.17	27%	0.273	C	S	.	.			trans	-124.4	38.7	-175	-69.6	-166.9	-175.5	-176.8	0	112.3	A46 M49 S53 F54 R67 E68	A46-K51 WeakPolarHBondContact CB-O 3.33Å; A46-K51 CarbonylContact O-C 3.59Å; A46-K51 VanDerWaalsContact O-C 3.23Å; A46-K51 WeakPolarHBondContact O-CA 3.42Å; A46-K51 PolarHBondContact O-N 3.13Å; M49-K51 VanDerWaalsContact C-N 3.27Å; M49-K51 PolarHBondContact O-N 3.36Å; K51-S53 PolarHBondContact O-N 3.22Å; K51-F54 HydrophobicContact CB-CB 4.36Å; K51-F54 HydrophobicContact CB-CD2 3.62Å; K51-F54 HydrophobicContact CB-CE2 4.28Å; K51-F54 HydrophobicContact CB-CG 4.27Å; K51-F54 HydrophobicContact CD-CD2 4.2Å; K51-F54 HydrophobicContact CD-CE2 4.32Å; K51-F54 HydrophobicContact CG-CD2 4.12Å; K51-F54 HydrophobicContact CG-CE2 4.31Å; K51-F54 WeakPolarHBondContact O-CB 3.42Å; K51-F54 WeakPolarHBondContact O-CD2 3.5Å; K51-F54 PolarHBondContact O-N 2.81Å; K51-R67 PolarHBondContact NZ-O 2.91Å; K51-E68 VanDerWaalsContact NZ-C 3.26Å; K51-E68 PolarHBondContact NZ-O 3.05Å
52	G	59.9	Low	76.2	Confident	30 Å²	30	50.6 Å²	50.6	31%	0.309	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-52.7	-28.9	-176.3	0	0	0	0	0	114.8	A46 F54	A46-G52 PolarHBondContact O-N 2.88Å; G52-F54 PolarHBondContact O-N 2.88Å
53	S	64.8	Low	75.8	Confident	68 Å²	68	52.7 Å²	52.7	48%	0.476	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-68.6	-4.8	175	55	0	0	0	0	115.2	K51 W196	K51-S53 PolarHBondContact O-N 3.22Å; S53-W196 WeakPolarHBondContact O-CZ3 3.18Å
54	F	71.4	Confident	75.4	Confident	55 Å²	55	56.5 Å²	56.5	24%	0.241	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-101.9	8.5	-175.3	-71.2	-98.1	0	0	0	114.3	K51 G52 Y56 A57 W58	K51-F54 HydrophobicContact CB-CB 4.36Å; K51-F54 HydrophobicContact CB-CD2 3.62Å; K51-F54 HydrophobicContact CB-CE2 4.28Å; K51-F54 HydrophobicContact CB-CG 4.27Å; K51-F54 HydrophobicContact CD-CD2 4.2Å; K51-F54 HydrophobicContact CD-CE2 4.32Å; K51-F54 HydrophobicContact CG-CD2 4.12Å; K51-F54 HydrophobicContact CG-CE2 4.31Å; K51-F54 WeakPolarHBondContact O-CB 3.42Å; K51-F54 WeakPolarHBondContact O-CD2 3.5Å; K51-F54 PolarHBondContact O-N 2.81Å; G52-F54 PolarHBondContact O-N 2.88Å; F54-Y56 PolarHBondContact O-N 3.45Å; F54-Y56 VanDerWaalsContact O-N 3.07Å; F54-A57 HydrophobicContact CB-CB 4.42Å; F54-A57 HydrophobicContact CD1-CB 4.14Å; F54-A57 PolarHBondContact O-N 2.78Å; F54-W58 PolarHBondContact O-N 2.97Å
55	K	80.1	Confident	74.9	Confident	29 Å²	29	51.8 Å²	51.8	13%	0.126	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-39.2	-175.1	72	-176.7	178.6	-175.1	0	114.4	I39 E43 W196	I39-K55 HydrophobicContact CG2-CD 4.38Å; E43-K55 HydrophobicContact CB-CB 4.03Å; E43-K55 HydrophobicContact CB-CD 3.92Å; E43-K55 HydrophobicContact CG-CD 3.93Å; E43-K55 IonicContact OE1-NZ 3.69Å; E43-K55 PolarHBondContact OE1-NZ 3.45Å; E43-K55 IonicContact OE2-NZ 3.86Å; E43-K55 PolarHBondContact OE2-NZ 2.92Å; K55-W196 HydrophobicContact CD-CH2 4.2Å; K55-W196 HydrophobicContact CG-CH2 4.06Å; K55-W196 HydrophobicContact CG-CZ3 3.99Å
56	Y	83	Confident	74.7	Confident	20 Å²	20	49.3 Å²	49.3	8%	0.078	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-36	176.9	-62.5	-55.9	0	0	0	112.8	T22 G25 H26 Y29 I39 F54 W58 V59 W196	T22-Y56 HydrophobicContact CG2-CD2 4.07Å; T22-Y56 WeakPolarHBondContact O-CB 3.41Å; G25-Y56 WeakPolarHBondContact CA-O 2.98Å; H26-Y56 HydrophobicContact CB-CD1 4.05Å; H26-Y56 HydrophobicContact CB-CD2 3.93Å; H26-Y56 HydrophobicContact CB-CE1 4.28Å; H26-Y56 HydrophobicContact CB-CE2 4.13Å; H26-Y56 HydrophobicContact CB-CG 3.88Å; H26-Y56 AromaticContact CD2-CE1 3.96Å; H26-Y56 AromaticContact CD2-CZ 3.72Å; H26-Y56 AromaticContact CE1-CE2 3.92Å; H26-Y56 AromaticContact CE1-CZ 3.93Å; H26-Y56 AromaticContact CG-CE2 3.75Å; H26-Y56 AromaticContact CG-CZ 3.75Å; H26-Y56 AromaticContact ND1-CE2 3.57Å; H26-Y56 AromaticContact ND1-CZ 3.88Å; H26-Y56 AromaticContact NE2-CZ 3.87Å; H26-Y56 PolarHBondContact NE2-OH 3.19Å; Y29-Y56 AromaticContact CD1-CE1 3.72Å; Y29-Y56 HydrophobicContact CD1-CE1 3.72Å; Y29-Y56 HydrophobicContact CE1-CE1 4.39Å; Y29-Y56 HydrophobicContact CG-CE1 4.38Å; I39-Y56 HydrophobicContact CD1-CD1 4.41Å; I39-Y56 HydrophobicContact CD1-CE1 4.26Å; F54-Y56 PolarHBondContact O-N 3.45Å; F54-Y56 VanDerWaalsContact O-N 3.07Å; Y56-W58 VanDerWaalsContact C-N 3.28Å; Y56-W58 PolarHBondContact O-N 3.44Å; Y56-V59 VanDerWaalsContact O-CB 3.25Å; Y56-V59 WeakPolarHBondContact O-CB 3.38Å; Y56-V59 WeakPolarHBondContact O-CG2 3.4Å; Y56-V59 PolarHBondContact O-N 2.78Å; Y56-W196 AromaticContact CD2-CE3 3.98Å; Y56-W196 HydrophobicContact CD2-CE3 3.98Å; Y56-W196 AromaticContact CD2-CZ3 3.95Å; Y56-W196 HydrophobicContact CD2-CZ3 3.95Å; Y56-W196 HydrophobicContact CE2-CE3 4.17Å; Y56-W196 HydrophobicContact CE2-CZ3 4.18Å
57	A	79.1	Confident	74.7	Confident	3 Å²	3	51.6 Å²	51.6	3%	0.025	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-65.2	-34	176.6	0	0	0	0	0	111.8	F54 V59 L60 D61	F54-A57 HydrophobicContact CB-CB 4.42Å; F54-A57 HydrophobicContact CD1-CB 4.14Å; F54-A57 PolarHBondContact O-N 2.78Å; A57-V59 PolarHBondContact O-N 2.81Å; A57-L60 WeakPolarHBondContact O-CB 3.34Å; A57-L60 PolarHBondContact O-N 2.89Å; A57-D61 PolarHBondContact O-N 3.24Å
58	W	79.7	Confident	74.5	Confident	5 Å²	5	53.6 Å²	53.6	2%	0.019	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-65.9	-18	180	-82	43.9	0	0	0	115.3	F42 E45 A46 M49 F54 Y56 L60 R67	F42-W58 HydrophobicContact CB-CB 4.27Å; F42-W58 HydrophobicContact CG-CB 4.37Å; E45-W58 HydrophobicContact CB-CE3 4.19Å; E45-W58 HydrophobicContact CB-CH2 4.01Å; E45-W58 HydrophobicContact CB-CZ3 3.41Å; E45-W58 VanDerWaalsContact CB-CZ3 3.41Å; A46-W58 HydrophobicContact CB-CD2 4.09Å; A46-W58 HydrophobicContact CB-CH2 4.39Å; A46-W58 HydrophobicContact CB-CZ2 3.97Å; M49-W58 HydrophobicContact CB-CZ2 4.38Å; M49-W58 HydrophobicContact CG-CH2 4.1Å; M49-W58 HydrophobicContact CG-CZ2 4.36Å; M49-W58 HydrophobicContact SD-CH2 3.4Å; M49-W58 WeakPolarHBondContact SD-CH2 3.48Å; M49-W58 HydrophobicContact SD-CZ2 3.64Å; F54-W58 PolarHBondContact O-N 2.97Å; Y56-W58 VanDerWaalsContact C-N 3.28Å; Y56-W58 PolarHBondContact O-N 3.44Å; W58-L60 PolarHBondContact O-N 2.92Å; W58-R67 HydrophobicContact CD2-CG 4.17Å; W58-R67 HydrophobicContact CE3-CG 4.47Å; W58-R67 HydrophobicContact CZ2-CB 4.11Å; W58-R67 HydrophobicContact CZ2-CG 4.33Å; W58-R67 PolarHBondContact O-NH2 2.87Å
59	V	78.9	Confident	74.2	Confident	4 Å²	4	55.2 Å²	55.2	2%	0.024	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-57.4	-41	167.3	167.5	0	0	0	0	110.6	I34 F42 Y56 A57 W78	I34-V59 HydrophobicContact CD1-CB 3.93Å; I34-V59 HydrophobicContact CD1-CG1 3.1Å; I34-V59 HydrophobicContact CD1-CG2 3.55Å; I34-V59 HydrophobicContact CG1-CG1 4.4Å; F42-V59 HydrophobicContact CD2-CG2 4.14Å; F42-V59 HydrophobicContact CE2-CG2 4.25Å; Y56-V59 VanDerWaalsContact O-CB 3.25Å; Y56-V59 WeakPolarHBondContact O-CB 3.38Å; Y56-V59 WeakPolarHBondContact O-CG2 3.4Å; Y56-V59 PolarHBondContact O-N 2.78Å; A57-V59 PolarHBondContact O-N 2.81Å; V59-W78 HydrophobicContact CG1-CH2 4.42Å; V59-W78 HydrophobicContact CG1-CZ2 4.04Å; V59-W78 VanDerWaalsContact O-CZ2 3.24Å; V59-W78 WeakPolarHBondContact O-CZ2 3.18Å
60	L	77.6	Confident	74.3	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-47.1	-173.2	-54.3	170.7	0	0	0	109.9	S21 T24 I28 A57 W58 K62 S76 W78 D91	S21-L60 WeakPolarHBondContact O-CD1 3.33Å; T24-L60 HydrophobicContact CG2-CD1 3.56Å; T24-L60 HydrophobicContact CG2-CD2 4.21Å; I28-L60 HydrophobicContact CD1-CD2 3.73Å; A57-L60 WeakPolarHBondContact O-CB 3.34Å; A57-L60 PolarHBondContact O-N 2.89Å; W58-L60 PolarHBondContact O-N 2.92Å; L60-K62 PolarHBondContact O-N 3.37Å; L60-S76 PolarHBondContact O-OG 3.16Å; L60-W78 HydrophobicContact CD2-CG 3.86Å; L60-D91 HydrophobicContact CD1-CB 3.88Å; L60-D91 WeakPolarHBondContact CD1-OD2 3.2Å
61	D	78.2	Confident	74.4	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.016	25%	0.245	C	C	.	.			trans	-73.1	90.1	-178.4	-67.2	-18.9	0	0	0	110.7	A57 E66 R67 T72	A57-D61 PolarHBondContact O-N 3.24Å; D61-E66 WeakPolarHBondContact CA-OE2 2.8Å; D61-E66 HydrophobicContact CB-CB 3.75Å; D61-R67 HydrophobicContact CB-CG 4.41Å; D61-R67 WeakPolarHBondContact O-CG 3.46Å; D61-R67 PolarHBondContact O-NE 2.76Å; D61-T72 PolarHBondContact OD1-OG1 2.96Å
62	K	74.9	Confident	74.5	Confident	139 Å²	139	48 Å²	48	60%	0.604	24%	0.238	S	C	*	.			trans	-88.3	-27.9	-179.6	-70	-179.5	-176.8	175.3	0	112.5	L60 E66	L60-K62 PolarHBondContact O-N 3.37Å; K62-E66 PolarHBondContact N-OE2 2.65Å
63	L	74.4	Confident	74.4	Confident	81 Å²	81	47.8 Å²	47.8	42%	0.424	23%	0.23	S	C	.	.	S	Bend	trans	-75.5	138.4	-177.6	-59.1	174	0	0	0	110.1	A65 E66 R67 I73 D74	L63-A65 PolarHBondContact O-N 2.91Å; L63-E66 HydrophobicContact CB-CB 4.29Å; L63-E66 HydrophobicContact CB-CG 3.85Å; L63-E66 WeakPolarHBondContact CB-OE2 3.22Å; L63-E66 HydrophobicContact CD1-CG 4.3Å; L63-E66 HydrophobicContact CG-CG 4.45Å; L63-E66 WeakPolarHBondContact CG-OE2 3.17Å; L63-E66 PolarHBondContact N-OE2 2.63Å; L63-E66 WeakPolarHBondContact O-CB 3.08Å; L63-E66 PolarHBondContact O-N 2.77Å; L63-R67 PolarHBondContact O-N 2.52Å; L63-R67 VanDerWaalsContact O-N 3.15Å; L63-I73 HydrophobicContact CD1-CB 4.43Å; L63-I73 HydrophobicContact CD1-CG2 4.36Å; L63-D74 HydrophobicContact CD1-CB 4.18Å
64	K	72.7	Confident	74.4	Confident	156 Å²	156	48.1 Å²	48.1	68%	0.678	23%	0.226	S	C	*	.	H	α-helix	trans	-53.7	-40.9	173.8	-179.1	173	171.1	175.2	0	111.8	E66 R67 E68	K64-E66 VanDerWaalsContact C-N 3.32Å; K64-E66 PolarHBondContact O-N 2.96Å; K64-R67 PolarHBondContact O-N 3.44Å; K64-E68 WeakPolarHBondContact CE-OE1 3.24Å; K64-E68 HydrophobicContact CG-CG 4.34Å; K64-E68 IonicContact NZ-OE1 3.94Å; K64-E68 WeakPolarHBondContact O-CB 3.47Å; K64-E68 WeakPolarHBondContact O-CG 3.29Å; K64-E68 PolarHBondContact O-N 3.32Å
65	A	71.7	Confident	74.4	Confident	40 Å²	40	46.9 Å²	46.9	33%	0.331	22%	0.222	S	C	.	.	H	α-helix	trans	-64.7	-31.8	177.5	0	0	0	0	0	113.7	L63 R69 I73	L63-A65 PolarHBondContact O-N 2.91Å; A65-R69 WeakPolarHBondContact O-CB 3.25Å; A65-R69 WeakPolarHBondContact O-CG 3.5Å; A65-R69 PolarHBondContact O-N 3.35Å; A65-R69 VanDerWaalsContact O-N 3.13Å; A65-I73 HydrophobicContact CB-CD1 3.69Å
66	E	76.8	Confident	74.1	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.009	22%	0.22	C	C	.	.	H	α-helix	trans	-68.1	-50.4	174.9	-69.6	170.8	146.1	0	0	110	D61 K62 L63 K64 E68 R69 G70 I71 I73 D74	D61-E66 WeakPolarHBondContact CA-OE2 2.8Å; D61-E66 HydrophobicContact CB-CB 3.75Å; K62-E66 PolarHBondContact N-OE2 2.65Å; L63-E66 HydrophobicContact CB-CB 4.29Å; L63-E66 HydrophobicContact CB-CG 3.85Å; L63-E66 WeakPolarHBondContact CB-OE2 3.22Å; L63-E66 HydrophobicContact CD1-CG 4.3Å; L63-E66 HydrophobicContact CG-CG 4.45Å; L63-E66 WeakPolarHBondContact CG-OE2 3.17Å; L63-E66 PolarHBondContact N-OE2 2.63Å; L63-E66 WeakPolarHBondContact O-CB 3.08Å; L63-E66 PolarHBondContact O-N 2.77Å; K64-E66 VanDerWaalsContact C-N 3.32Å; K64-E66 PolarHBondContact O-N 2.96Å; E66-E68 PolarHBondContact O-N 3.14Å; E66-R69 PolarHBondContact O-N 3.39Å; E66-G70 WeakPolarHBondContact O-CA 3.35Å; E66-G70 PolarHBondContact O-N 2.86Å; E66-I71 VanDerWaalsContact CA-O 3.28Å; E66-I71 WeakPolarHBondContact CA-O 3.3Å; E66-I71 WeakPolarHBondContact CB-O 3.19Å; E66-I71 WeakPolarHBondContact CG-O 3.26Å; E66-I71 PolarHBondContact O-N 3.05Å; E66-I73 HydrophobicContact CG-CB 3.58Å; E66-I73 HydrophobicContact CG-CD1 3.82Å; E66-I73 HydrophobicContact CG-CG1 3.58Å; E66-I73 WeakPolarHBondContact OE1-CA 3.38Å; E66-I73 PolarHBondContact OE1-N 3.21Å; E66-D74 PolarHBondContact OE1-N 3.32Å
67	R	76.3	Confident	73.9	Confident	48 Å²	48	48.7 Å²	48.7	18%	0.181	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-42.8	179.4	-64.7	-179.5	177.8	-160.1	-7.9	112.4	E45 K51 W58 D61 L63 K64	E45-R67 IonicContact OE2-NH1 2.78Å; E45-R67 PolarHBondContact OE2-NH1 3.01Å; K51-R67 PolarHBondContact NZ-O 2.91Å; W58-R67 HydrophobicContact CD2-CG 4.17Å; W58-R67 HydrophobicContact CE3-CG 4.47Å; W58-R67 HydrophobicContact CZ2-CB 4.11Å; W58-R67 HydrophobicContact CZ2-CG 4.33Å; W58-R67 PolarHBondContact O-NH2 2.87Å; D61-R67 HydrophobicContact CB-CG 4.41Å; D61-R67 WeakPolarHBondContact O-CG 3.46Å; D61-R67 PolarHBondContact O-NE 2.76Å; L63-R67 PolarHBondContact O-N 2.52Å; L63-R67 VanDerWaalsContact O-N 3.15Å; K64-R67 PolarHBondContact O-N 3.44Å
68	E	75	Confident	74.1	Confident	103 Å²	103	51.6 Å²	51.6	48%	0.481	25%	0.245	S	C	.	.	H	α-helix	trans	-65.4	-42.8	177.3	-76.7	177.3	173.6	0	0	112.5	M49 K51 K64 E66	M49-E68 HydrophobicContact CE-CG 4.02Å; K51-E68 VanDerWaalsContact NZ-C 3.26Å; K51-E68 PolarHBondContact NZ-O 3.05Å; K64-E68 WeakPolarHBondContact CE-OE1 3.24Å; K64-E68 HydrophobicContact CG-CG 4.34Å; K64-E68 IonicContact NZ-OE1 3.94Å; K64-E68 WeakPolarHBondContact O-CB 3.47Å; K64-E68 WeakPolarHBondContact O-CG 3.29Å; K64-E68 PolarHBondContact O-N 3.32Å; E66-E68 PolarHBondContact O-N 3.14Å
69	R	73.8	Confident	74.2	Confident	173 Å²	173	54.4 Å²	54.4	65%	0.653	26%	0.258	S	S	*	.	H	α-helix	trans	-86.3	-17.5	-178	-64.5	-179.3	179	-168.2	-0.6	113.9	A65 E66 I71	A65-R69 WeakPolarHBondContact O-CB 3.25Å; A65-R69 WeakPolarHBondContact O-CG 3.5Å; A65-R69 PolarHBondContact O-N 3.35Å; A65-R69 VanDerWaalsContact O-N 3.13Å; E66-R69 PolarHBondContact O-N 3.39Å; R69-I71 VanDerWaalsContact C-N 3.28Å; R69-I71 HydrophobicContact CB-CD1 4.35Å; R69-I71 HydrophobicContact CB-CG1 3.82Å
70	G	72.7	Confident	74.6	Confident	13 Å²	13	54.7 Å²	54.7	13%	0.134	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	22.9	-175.8	0	0	0	0	0	113.4	E66	E66-G70 WeakPolarHBondContact O-CA 3.35Å; E66-G70 PolarHBondContact O-N 2.86Å
71	I	73.5	Confident	75	Confident	31 Å²	31	60 Å²	60	16%	0.159	28%	0.283	C	S	.	.	S	Bend	trans	-131.2	140	178.4	61.5	176.6	0	0	0	110.1	V16 E66 R69 H95 F98	V16-I71 HydrophobicContact CG1-CG2 4.3Å; E66-I71 VanDerWaalsContact CA-O 3.28Å; E66-I71 WeakPolarHBondContact CA-O 3.3Å; E66-I71 WeakPolarHBondContact CB-O 3.19Å; E66-I71 WeakPolarHBondContact CG-O 3.26Å; E66-I71 PolarHBondContact O-N 3.05Å; R69-I71 VanDerWaalsContact C-N 3.28Å; R69-I71 HydrophobicContact CB-CD1 4.35Å; R69-I71 HydrophobicContact CB-CG1 3.82Å; I71-H95 HydrophobicContact CD1-CB 4.23Å; I71-F98 HydrophobicContact CD1-CE2 3.86Å
72	T	69.2	Low	75.4	Confident	6 Å²	6	60.1 Å²	60.1	4%	0.037	28%	0.284	C	S	.	.			trans	-68.5	132.3	170.1	-48.2	0	0	0	0	110.2	S21 D61 D74 P93	S21-T72 PolarHBondContact OG-OG1 2.87Å; D61-T72 PolarHBondContact OD1-OG1 2.96Å; T72-D74 VanDerWaalsContact CG2-O 3.25Å; T72-D74 WeakPolarHBondContact CG2-O 3.37Å; T72-P93 HydrophobicContact CG2-CB 4.45Å; T72-P93 WeakPolarHBondContact O-CB 3.33Å
73	I	58.4	Low	75.9	Confident	25 Å²	25	58.4 Å²	58.4	13%	0.128	29%	0.29	C	S	.	.			trans	-111.3	-48.4	-175.1	-67.8	177.1	0	0	0	109.7	L63 A65 E66 F98 N101	L63-I73 HydrophobicContact CD1-CB 4.43Å; L63-I73 HydrophobicContact CD1-CG2 4.36Å; A65-I73 HydrophobicContact CB-CD1 3.69Å; E66-I73 HydrophobicContact CG-CB 3.58Å; E66-I73 HydrophobicContact CG-CD1 3.82Å; E66-I73 HydrophobicContact CG-CG1 3.58Å; E66-I73 WeakPolarHBondContact OE1-CA 3.38Å; E66-I73 PolarHBondContact OE1-N 3.21Å; I73-F98 HydrophobicContact CB-CD2 4.44Å; I73-F98 HydrophobicContact CB-CE1 4.33Å; I73-F98 HydrophobicContact CB-CE2 4.24Å; I73-F98 HydrophobicContact CB-CZ 4.18Å; I73-F98 HydrophobicContact CD1-CZ 4.21Å; I73-F98 HydrophobicContact CG1-CD2 4.24Å; I73-F98 HydrophobicContact CG1-CE1 4.32Å; I73-F98 HydrophobicContact CG1-CE2 3.64Å; I73-F98 HydrophobicContact CG1-CZ 3.68Å; I73-F98 HydrophobicContact CG2-CD1 3.93Å; I73-F98 HydrophobicContact CG2-CE1 3.6Å; I73-F98 HydrophobicContact CG2-CE2 4.38Å; I73-F98 HydrophobicContact CG2-CG 4.47Å; I73-F98 HydrophobicContact CG2-CZ 3.86Å; I73-N101 PolarHBondContact O-ND2 2.78Å
74	D	65.8	Low	76.5	Confident	75 Å²	75	59.8 Å²	59.8	40%	0.401	29%	0.292	S	S	.	.	S	Bend	trans	-107.7	159.9	178.9	-152.6	2.8	0	0	0	111.7	L63 E66 T72 S76	L63-D74 HydrophobicContact CD1-CB 4.18Å; E66-D74 PolarHBondContact OE1-N 3.32Å; T72-D74 VanDerWaalsContact CG2-O 3.25Å; T72-D74 WeakPolarHBondContact CG2-O 3.37Å; D74-S76 PolarHBondContact O-N 3.43Å
75	I	70.7	Confident	77.3	Confident	29 Å²	29	52.4 Å²	52.4	15%	0.149	26%	0.26	C	S	.	.			trans	-70.8	130.7	175.4	54.7	171.8	0	0	0	109.9	I90 N101 T104	I75-I90 HydrophobicContact CB-CG2 4.28Å; I75-I90 HydrophobicContact CG2-CG2 4.39Å; I75-N101 HydrophobicContact CG2-CB 4.26Å; I75-N101 VanDerWaalsContact CG2-O 3.28Å; I75-N101 WeakPolarHBondContact CG2-O 3.48Å; I75-T104 HydrophobicContact CD1-CG2 4.43Å
76	S	74.4	Confident	78.1	Confident	14 Å²	14	52.8 Å²	52.8	10%	0.098	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	121.2	173	-81.8	0	0	0	0	110.5	L60 D74 I90 D91	L60-S76 PolarHBondContact O-OG 3.16Å; D74-S76 PolarHBondContact O-N 3.43Å; S76-I90 WeakPolarHBondContact O-CA 3.42Å; S76-D91 PolarHBondContact N-O 3.29Å; S76-D91 PolarHBondContact O-N 3.32Å
77	L	78.5	Confident	78.7	Confident	73 Å²	73	52.7 Å²	52.7	38%	0.382	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	117.1	178.5	-72.6	150.1	0	0	0	109.4	T88 I89 I90	L77-T88 HydrophobicContact CD2-CG2 3.76Å; L77-I89 WeakPolarHBondContact CA-O 3.45Å; L77-I90 HydrophobicContact CD2-CD1 4.27Å; L77-I90 HydrophobicContact CD2-CG1 3.75Å
78	W	83.1	Confident	79.2	Confident	63 Å²	63	50.4 Å²	50.4	24%	0.239	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	167.3	176.1	-78.4	86.4	0	0	0	111.3	I28 I34 V59 L60 T88 I89	I28-W78 HydrophobicContact CD1-CB 3.48Å; I28-W78 VanDerWaalsContact CD1-CB 3.48Å; I28-W78 HydrophobicContact CD1-CD2 4.35Å; I28-W78 HydrophobicContact CD1-CG 3.78Å; I28-W78 HydrophobicContact CG1-CB 4.29Å; I28-W78 HydrophobicContact CG2-CE3 4.33Å; I34-W78 HydrophobicContact CG1-CZ3 4.38Å; V59-W78 HydrophobicContact CG1-CH2 4.42Å; V59-W78 HydrophobicContact CG1-CZ2 4.04Å; V59-W78 VanDerWaalsContact O-CZ2 3.24Å; V59-W78 WeakPolarHBondContact O-CZ2 3.18Å; L60-W78 HydrophobicContact CD2-CG 3.86Å; W78-T88 CarbonylContact O-C 3.54Å; W78-T88 WeakPolarHBondContact O-CA 3.32Å; W78-I89 HydrophobicContact CB-CG2 3.77Å; W78-I89 PolarHBondContact N-O 2.86Å; W78-I89 PolarHBondContact O-N 2.88Å
79	K	82.2	Confident	79.9	Confident	65 Å²	65	45.7 Å²	45.7	28%	0.283	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	151.1	-179.2	-55.8	162.1	173.8	-165.8	0	111.7	Y86 V87 H295	K79-Y86 HydrophobicContact CD-CE2 4.23Å; K79-Y86 WeakPolarHBondContact CD-OH 3.13Å; K79-Y86 WeakPolarHBondContact CE-OH 3.36Å; K79-Y86 PolarHBondContact NZ-OH 2.86Å; K79-V87 VanDerWaalsContact CA-O 3.23Å; K79-V87 WeakPolarHBondContact CA-O 3.33Å; K79-H295 WeakPolarHBondContact CE-CD2 3.46Å; K79-H295 WeakPolarHBondContact CE-CE1 3.34Å; K79-H295 WeakPolarHBondContact CE-ND1 3.41Å; K79-H295 WeakPolarHBondContact CE-NE2 3.48Å; K79-H295 PolarHBondContact NZ-CD2 3.39Å
80	F	85.9	Confident	80.6	Confident	9 Å²	9	37.5 Å²	37.5	4%	0.039	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	166.2	162.7	61	-85.2	0	0	0	108.8	L27 I28 C31 T82 V87 I89 L229 L232	L27-F80 HydrophobicContact CD2-CE1 3.84Å; L27-F80 HydrophobicContact CD2-CE2 4.09Å; L27-F80 HydrophobicContact CD2-CZ 3.46Å; L27-F80 VanDerWaalsContact CD2-CZ 3.46Å; L27-F80 HydrophobicContact CG-CE1 4.34Å; L27-F80 HydrophobicContact CG-CE2 4.32Å; L27-F80 HydrophobicContact CG-CZ 4.07Å; I28-F80 HydrophobicContact CG1-CD1 4.29Å; C31-F80 HydrophobicContact CB-CB 3.73Å; C31-F80 HydrophobicContact CB-CD2 4.07Å; C31-F80 HydrophobicContact CB-CG 4.16Å; F80-T82 HydrophobicContact CD2-CG2 4.06Å; F80-T82 HydrophobicContact CE2-CG2 3.6Å; F80-V87 HydrophobicContact CD1-CB 4.45Å; F80-V87 HydrophobicContact CD1-CG1 4.41Å; F80-V87 HydrophobicContact CD2-CB 4.38Å; F80-V87 HydrophobicContact CE1-CB 4.12Å; F80-V87 HydrophobicContact CE1-CG1 3.71Å; F80-V87 HydrophobicContact CE2-CB 4.04Å; F80-V87 HydrophobicContact CE2-CG1 4.24Å; F80-V87 HydrophobicContact CE2-CG2 4.21Å; F80-V87 HydrophobicContact CZ-CB 3.89Å; F80-V87 HydrophobicContact CZ-CG1 3.59Å; F80-V87 HydrophobicContact CZ-CG2 4.34Å; F80-V87 PolarHBondContact N-O 2.77Å; F80-V87 VanDerWaalsContact N-O 3.13Å; F80-V87 PolarHBondContact O-N 3.11Å; F80-I89 HydrophobicContact CD1-CG2 4.19Å; F80-I89 HydrophobicContact CE1-CB 3.9Å; F80-I89 HydrophobicContact CE1-CD1 3.9Å; F80-I89 HydrophobicContact CE1-CG2 3.97Å; F80-I89 HydrophobicContact CZ-CD1 4.47Å; F80-L229 HydrophobicContact CE2-CD1 4.41Å; F80-L232 HydrophobicContact CE2-CD1 4.31Å; F80-L232 HydrophobicContact CZ-CD1 4Å
81	E	86.8	Confident	81.3	Confident	112 Å²	112	36.9 Å²	36.9	52%	0.523	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	140.1	174.2	-67.9	-171.1	-165.8	0	0	110.5	K5 Y86	K5-E81 IonicContact NZ-OE2 3.67Å; K5-E81 PolarHBondContact NZ-OE2 2.8Å; E81-Y86 HydrophobicContact CG-CD2 4.06Å
82	T	86.5	Confident	81.8	Confident	6 Å²	6	35.4 Å²	35.4	4%	0.037	18%	0.177	C	C	.	.			trans	-103	-174.5	166.2	70.1	0	0	0	0	109.5	K5 F80 K84 Y85 V87 L229 D233	K5-T82 WeakPolarHBondContact CE-O 3.36Å; K5-T82 PolarHBondContact NZ-O 3.22Å; F80-T82 HydrophobicContact CD2-CG2 4.06Å; F80-T82 HydrophobicContact CE2-CG2 3.6Å; T82-K84 PolarHBondContact O-N 3.18Å; T82-K84 PolarHBondContact OG1-N 2.84Å; T82-Y85 PolarHBondContact N-O 2.6Å; T82-Y85 PolarHBondContact OG1-N 2.81Å; T82-Y85 PolarHBondContact OG1-O 3.5Å; T82-V87 HydrophobicContact CG2-CG2 3.86Å; T82-L229 HydrophobicContact CG2-CD1 3.7Å; T82-D233 WeakPolarHBondContact CB-OD1 3.26Å; T82-D233 PolarHBondContact OG1-OD1 3.41Å
83	S	86.1	Confident	82.4	Confident	102 Å²	102	35.1 Å²	35.1	71%	0.713	18%	0.176	S	C	*	.	S	Bend	trans	-62.4	-36	177.4	-48.5	0	0	0	0	111.3	D233	S83-D233 WeakPolarHBondContact CB-OD2 3.4Å; S83-D233 PolarHBondContact N-OD2 2.98Å; S83-D233 PolarHBondContact OG-OD2 3.04Å
84	K	87.4	Confident	83.3	Confident	111 Å²	111	34.1 Å²	34.1	48%	0.483	17%	0.172	S	C	.	.	S	Bend	trans	-108.5	-30.8	-173.3	-168	177.5	177.1	-166.9	0	114.4	T82 D233	T82-K84 PolarHBondContact O-N 3.18Å; T82-K84 PolarHBondContact OG1-N 2.84Å; K84-D233 WeakPolarHBondContact CB-OD1 3.32Å; K84-D233 PolarHBondContact N-OD1 2.9Å; K84-D233 VanDerWaalsContact N-OD1 3.15Å
85	Y	89.8	Confident	83.9	Confident	1 Å²	1	33.3 Å²	33.3	0%	0.004	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	150.6	-166.5	-61	-53.1	0	0	0	112.9	T6 I8 T82 D233 I235 P237	T6-Y85 HydrophobicContact CG2-CE1 4.49Å; T6-Y85 WeakPolarHBondContact O-CA 3.37Å; T6-Y85 WeakPolarHBondContact O-CD1 3.36Å; I8-Y85 HydrophobicContact CD1-CD1 4.44Å; I8-Y85 HydrophobicContact CD1-CE1 4.45Å; I8-Y85 HydrophobicContact CG1-CD1 3.7Å; I8-Y85 HydrophobicContact CG1-CD2 4.18Å; I8-Y85 HydrophobicContact CG1-CE1 4.15Å; I8-Y85 HydrophobicContact CG1-CG 3.74Å; T82-Y85 PolarHBondContact N-O 2.6Å; T82-Y85 PolarHBondContact OG1-N 2.81Å; T82-Y85 PolarHBondContact OG1-O 3.5Å; Y85-D233 WeakPolarHBondContact CE2-O 3.48Å; Y85-I235 HydrophobicContact CE2-CB 4.33Å; Y85-I235 WeakPolarHBondContact CE2-O 3.37Å; Y85-I235 VanDerWaalsContact CZ-O 3.28Å; Y85-I235 PolarHBondContact OH-O 2.68Å; Y85-P237 HydrophobicContact CE1-CG 4.12Å; Y85-P237 WeakPolarHBondContact OH-CD 3.36Å
86	Y	87.1	Confident	84.1	Confident	47 Å²	47	36.3 Å²	36.3	18%	0.184	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	118	159.4	172.7	-98.9	0	0	0	106.9	T6 H7 I8 K79 E81	T6-Y86 PolarHBondContact O-N 3.35Å; H7-Y86 VanDerWaalsContact CA-O 3.3Å; H7-Y86 WeakPolarHBondContact CA-O 3.49Å; H7-Y86 HydrophobicContact CB-CD1 4.12Å; H7-Y86 AromaticContact CD2-CD1 3.4Å; H7-Y86 VanDerWaalsContact CD2-CD1 3.4Å; H7-Y86 WeakPolarHBondContact CD2-CD1 3.46Å; H7-Y86 AromaticContact CD2-CE1 3.74Å; H7-Y86 PolarHBondContact CD2-O 3.34Å; H7-Y86 AromaticContact CG-CD1 3.92Å; I8-Y86 PolarHBondContact N-O 3.32Å; K79-Y86 HydrophobicContact CD-CE2 4.23Å; K79-Y86 WeakPolarHBondContact CD-OH 3.13Å; K79-Y86 WeakPolarHBondContact CE-OH 3.36Å; K79-Y86 PolarHBondContact NZ-OH 2.86Å; E81-Y86 HydrophobicContact CG-CD2 4.06Å
87	V	89.3	Confident	84.1	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129.7	-169.2	177.6	0	0	0	0	110	I8 I10 K79 F80 T82	I8-V87 WeakPolarHBondContact O-CA 3.49Å; I10-V87 HydrophobicContact CB-CG1 4.37Å; I10-V87 HydrophobicContact CD1-CG1 3.57Å; I10-V87 HydrophobicContact CD1-CG2 4.33Å; I10-V87 HydrophobicContact CG1-CG1 3.88Å; K79-V87 VanDerWaalsContact CA-O 3.23Å; K79-V87 WeakPolarHBondContact CA-O 3.33Å; F80-V87 HydrophobicContact CD1-CB 4.45Å; F80-V87 HydrophobicContact CD1-CG1 4.41Å; F80-V87 HydrophobicContact CD2-CB 4.38Å; F80-V87 HydrophobicContact CE1-CB 4.12Å; F80-V87 HydrophobicContact CE1-CG1 3.71Å; F80-V87 HydrophobicContact CE2-CB 4.04Å; F80-V87 HydrophobicContact CE2-CG1 4.24Å; F80-V87 HydrophobicContact CE2-CG2 4.21Å; F80-V87 HydrophobicContact CZ-CB 3.89Å; F80-V87 HydrophobicContact CZ-CG1 3.59Å; F80-V87 HydrophobicContact CZ-CG2 4.34Å; F80-V87 PolarHBondContact N-O 2.77Å; F80-V87 VanDerWaalsContact N-O 3.13Å; F80-V87 PolarHBondContact O-N 3.11Å; T82-V87 HydrophobicContact CG2-CG2 3.86Å
88	T	87	Confident	83.9	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	115.5	160.4	-63.4	0	0	0	0	108.6	H7 I8 N9 I10 L77 W78	H7-T88 PolarHBondContact NE2-OG1 2.93Å; I8-T88 PolarHBondContact O-N 2.94Å; N9-T88 CarbonylContact C-O 3.57Å; N9-T88 WeakPolarHBondContact CA-O 3.45Å; N9-T88 WeakPolarHBondContact OD1-CB 3.33Å; I10-T88 PolarHBondContact N-O 3.18Å; L77-T88 HydrophobicContact CD2-CG2 3.76Å; W78-T88 CarbonylContact O-C 3.54Å; W78-T88 WeakPolarHBondContact O-CA 3.32Å
89	I	90	Very high	83.7	Confident	4 Å²	4	35 Å²	35	2%	0.021	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131.4	176.9	-166.4	153.2	0	0	0	110.2	I10 V12 T24 L27 I28 L77 W78 F80	I10-I89 CarbonylContact O-C 3.54Å; I10-I89 WeakPolarHBondContact O-CA 2.9Å; V12-I89 HydrophobicContact CG2-CD1 3.7Å; V12-I89 HydrophobicContact CG2-CG1 3.73Å; T24-I89 HydrophobicContact CG2-CD1 3.65Å; T24-I89 HydrophobicContact CG2-CG1 3.8Å; T24-I89 HydrophobicContact CG2-CG2 4.1Å; L27-I89 HydrophobicContact CD2-CD1 4.15Å; I28-I89 HydrophobicContact CD1-CG2 3.94Å; I28-I89 HydrophobicContact CG1-CG2 4.14Å; L77-I89 WeakPolarHBondContact CA-O 3.45Å; W78-I89 HydrophobicContact CB-CG2 3.77Å; W78-I89 PolarHBondContact N-O 2.86Å; W78-I89 PolarHBondContact O-N 2.88Å; F80-I89 HydrophobicContact CD1-CG2 4.19Å; F80-I89 HydrophobicContact CE1-CB 3.9Å; F80-I89 HydrophobicContact CE1-CD1 3.9Å; F80-I89 HydrophobicContact CE1-CG2 3.97Å; F80-I89 HydrophobicContact CZ-CD1 4.47Å
90	I	88.3	Confident	83.4	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	102.3	-178.4	-47.4	177.8	0	0	0	106.4	I10 V11 V12 I75 S76 L77 A92 G105 Q108	I10-I90 PolarHBondContact O-N 2.8Å; V11-I90 WeakPolarHBondContact CA-O 3.48Å; V11-I90 HydrophobicContact CB-CB 4.34Å; V11-I90 HydrophobicContact CG2-CB 4.27Å; V11-I90 HydrophobicContact CG2-CG2 4.39Å; V12-I90 PolarHBondContact N-O 2.91Å; I75-I90 HydrophobicContact CB-CG2 4.28Å; I75-I90 HydrophobicContact CG2-CG2 4.39Å; S76-I90 WeakPolarHBondContact O-CA 3.42Å; L77-I90 HydrophobicContact CD2-CD1 4.27Å; L77-I90 HydrophobicContact CD2-CG1 3.75Å; I90-A92 PolarHBondContact O-N 2.96Å; I90-G105 VanDerWaalsContact CD1-O 3.3Å; I90-G105 WeakPolarHBondContact CD1-O 3.45Å; I90-Q108 HydrophobicContact CD1-CB 3.67Å
91	D	87.4	Confident	83.1	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	114.8	171.1	-169.2	33.5	0	0	0	108.4	S21 T24 L60 S76	S21-D91 VanDerWaalsContact CB-OD2 3.28Å; S21-D91 WeakPolarHBondContact CB-OD2 3.46Å; S21-D91 PolarHBondContact OG-OD2 2.89Å; T24-D91 HydrophobicContact CG2-CB 4.42Å; L60-D91 HydrophobicContact CD1-CB 3.88Å; L60-D91 WeakPolarHBondContact CD1-OD2 3.2Å; S76-D91 PolarHBondContact N-O 3.29Å; S76-D91 PolarHBondContact O-N 3.32Å
92	A	84	Confident	82.9	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.159	C	C	.	.			trans	-102.6	139.5	-176.4	0	0	0	0	0	110.9	V11 V12 I13 K20 I90 G94 M102	V11-A92 HydrophobicContact CG2-CB 3.66Å; V12-A92 WeakPolarHBondContact O-CB 3.4Å; V12-A92 PolarHBondContact O-N 3.46Å; I13-A92 HydrophobicContact CG2-CB 4.38Å; K20-A92 WeakPolarHBondContact CE-O 3.33Å; I90-A92 PolarHBondContact O-N 2.96Å; A92-G94 PolarHBondContact O-N 2.84Å; A92-M102 HydrophobicContact CB-CB 4.34Å; A92-M102 HydrophobicContact CB-CG 3.87Å
93	P	81.5	Confident	82.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.157	C	C	.	.			trans	-65.3	138.4	-175.5	27.9	-36.5	0	0	0	111.3	T72 F98 N101 M102	T72-P93 HydrophobicContact CG2-CB 4.45Å; T72-P93 WeakPolarHBondContact O-CB 3.33Å; P93-F98 HydrophobicContact CB-CB 3.61Å; P93-F98 HydrophobicContact CB-CG 4.45Å; P93-F98 HydrophobicContact CG-CB 3.63Å; P93-F98 VanDerWaalsContact CG-O 3.31Å; P93-F98 WeakPolarHBondContact CG-O 3.46Å; P93-N101 HydrophobicContact CG-CB 3.92Å; P93-M102 HydrophobicContact CG-CB 4.28Å
94	G	77.8	Confident	82.3	Confident	5 Å²	5	27.5 Å²	27.5	5%	0.052	12%	0.124	C	C	.	.			trans	-76.8	-32.2	178	0	0	0	0	0	113	A92 Q132	A92-G94 PolarHBondContact O-N 2.84Å; G94-Q132 PolarHBondContact O-NE2 3.49Å; G94-Q132 PolarHBondContact O-OE1 3.45Å
95	H	78.7	Confident	82	Confident	58 Å²	58	22.2 Å²	22.2	27%	0.269	10%	0.101	S	C	.	.	S	Bend	trans	-75.9	145.4	-165.2	-164.7	-93.2	0	0	0	113.5	V16 I71 D97 F98 I99	V16-H95 HydrophobicContact CG2-CB 4.06Å; I71-H95 HydrophobicContact CD1-CB 4.23Å; H95-D97 VanDerWaalsContact C-N 3.26Å; H95-D97 IonicContact CE1-OD2 2.68Å; H95-D97 PolarHBondContact CE1-OD2 3.37Å; H95-D97 VanDerWaalsContact CE1-OD2 3.27Å; H95-D97 PolarHBondContact ND1-N 2.65Å; H95-D97 IonicContact ND1-OD2 2.83Å; H95-D97 PolarHBondContact O-N 3.19Å; H95-F98 HydrophobicContact CB-CD2 3.81Å; H95-F98 HydrophobicContact CB-CE2 4.3Å; H95-F98 PolarHBondContact O-N 2.85Å; H95-I99 PolarHBondContact O-N 3.36Å
96	R	74.4	Confident	81.8	Confident	91 Å²	91	22.1 Å²	22.1	34%	0.343	10%	0.101	S	C	.	.	G	3₁₀ helix	trans	-58.8	-35.3	-176.3	-72	-175.4	172.8	-169.8	-7.9	113.5	F98 I99 N130 Q132	R96-F98 PolarHBondContact O-N 2.81Å; R96-I99 WeakPolarHBondContact O-CB 3.48Å; R96-I99 WeakPolarHBondContact O-CG2 3.32Å; R96-N130 VanDerWaalsContact NH2-C 3.34Å; R96-N130 PolarHBondContact NH2-O 3.41Å; R96-N130 PolarHBondContact NH2-OD1 3.47Å; R96-Q132 HydrophobicContact CG-CG 4.33Å
97	D	73.4	Confident	81.5	Confident	83 Å²	83	20.8 Å²	20.8	44%	0.444	10%	0.098	S	C	.	.	G	3₁₀ helix	trans	-68.6	-22.1	-179.6	-65.1	-21.9	0	0	0	112.5	H95 R430	H95-D97 VanDerWaalsContact C-N 3.26Å; H95-D97 IonicContact CE1-OD2 2.68Å; H95-D97 PolarHBondContact CE1-OD2 3.37Å; H95-D97 VanDerWaalsContact CE1-OD2 3.27Å; H95-D97 PolarHBondContact ND1-N 2.65Å; H95-D97 IonicContact ND1-OD2 2.83Å; H95-D97 PolarHBondContact O-N 3.19Å; D97-R430 IonicContact OD1-CZ 2.77Å; D97-R430 IonicContact OD1-NH1 2.89Å; D97-R430 PolarHBondContact OD1-NH1 2.77Å
98	F	76	Confident	80.9	Confident	37 Å²	37	20.8 Å²	20.8	16%	0.162	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-108.7	9	-176.5	-54.3	-54.7	0	0	0	114	I71 I73 P93 H95 R96 K100 N101 M102	I71-F98 HydrophobicContact CD1-CE2 3.86Å; I73-F98 HydrophobicContact CB-CD2 4.44Å; I73-F98 HydrophobicContact CB-CE1 4.33Å; I73-F98 HydrophobicContact CB-CE2 4.24Å; I73-F98 HydrophobicContact CB-CZ 4.18Å; I73-F98 HydrophobicContact CD1-CZ 4.21Å; I73-F98 HydrophobicContact CG1-CD2 4.24Å; I73-F98 HydrophobicContact CG1-CE1 4.32Å; I73-F98 HydrophobicContact CG1-CE2 3.64Å; I73-F98 HydrophobicContact CG1-CZ 3.68Å; I73-F98 HydrophobicContact CG2-CD1 3.93Å; I73-F98 HydrophobicContact CG2-CE1 3.6Å; I73-F98 HydrophobicContact CG2-CE2 4.38Å; I73-F98 HydrophobicContact CG2-CG 4.47Å; I73-F98 HydrophobicContact CG2-CZ 3.86Å; P93-F98 HydrophobicContact CB-CB 3.61Å; P93-F98 HydrophobicContact CB-CG 4.45Å; P93-F98 HydrophobicContact CG-CB 3.63Å; P93-F98 VanDerWaalsContact CG-O 3.31Å; P93-F98 WeakPolarHBondContact CG-O 3.46Å; H95-F98 HydrophobicContact CB-CD2 3.81Å; H95-F98 HydrophobicContact CB-CE2 4.3Å; H95-F98 PolarHBondContact O-N 2.85Å; R96-F98 PolarHBondContact O-N 2.81Å; F98-K100 PolarHBondContact O-N 3.37Å; F98-N101 WeakPolarHBondContact O-CA 3.44Å; F98-N101 WeakPolarHBondContact O-CB 3.48Å; F98-N101 PolarHBondContact O-N 3.15Å; F98-M102 PolarHBondContact O-N 2.99Å; F98-M102 VanDerWaalsContact O-N 3.16Å
99	I	78	Confident	81	Confident	2 Å²	2	21.2 Å²	21.2	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-52.1	-27.6	175.1	-164.3	75.6	0	0	0	114.1	H95 R96 N101 M102 I103 H136 L139 R427	H95-I99 PolarHBondContact O-N 3.36Å; R96-I99 WeakPolarHBondContact O-CB 3.48Å; R96-I99 WeakPolarHBondContact O-CG2 3.32Å; I99-N101 VanDerWaalsContact C-N 3.29Å; I99-N101 PolarHBondContact O-N 2.93Å; I99-M102 HydrophobicContact CD1-CB 4.48Å; I99-M102 HydrophobicContact CD1-CE 3.37Å; I99-M102 HydrophobicContact CG1-CE 4.18Å; I99-M102 WeakPolarHBondContact O-CB 3.36Å; I99-M102 PolarHBondContact O-N 3.22Å; I99-I103 HydrophobicContact CG1-CD1 4.46Å; I99-I103 VanDerWaalsContact O-CG1 3.31Å; I99-I103 WeakPolarHBondContact O-CG1 3.47Å; I99-I103 PolarHBondContact O-N 3.02Å; I99-H136 WeakPolarHBondContact CD1-NE2 3.08Å; I99-L139 HydrophobicContact CD1-CD1 3.9Å; I99-L139 HydrophobicContact CG1-CD1 4.06Å; I99-R427 VanDerWaalsContact CG2-NH2 3.29Å
100	K	77	Confident	81	Confident	104 Å²	104	21.9 Å²	21.9	45%	0.452	11%	0.105	S	C	.	.	H	α-helix	trans	-62.4	-39.9	174.5	-66.9	-175.9	179.9	179.7	0	111.2	F98 T104 R322 H367	F98-K100 PolarHBondContact O-N 3.37Å; K100-T104 PolarHBondContact O-N 2.78Å; K100-T104 VanDerWaalsContact O-N 3.16Å; K100-T104 PolarHBondContact O-OG1 2.76Å; K100-T104 VanDerWaalsContact O-OG1 3.11Å; K100-R322 PolarHBondContact O-NH2 2.78Å; K100-H367 PolarHBondContact O-CE1 3.36Å
101	N	79.2	Confident	81.3	Confident	30 Å²	30	21.9 Å²	21.9	16%	0.16	11%	0.106	C	C	.	.	H	α-helix	trans	-72.1	-38.7	175.8	-67.3	-7.8	0	0	0	110	I73 I75 P93 F98 I99 I103 T104 G105 R322	I73-N101 PolarHBondContact O-ND2 2.78Å; I75-N101 HydrophobicContact CG2-CB 4.26Å; I75-N101 VanDerWaalsContact CG2-O 3.28Å; I75-N101 WeakPolarHBondContact CG2-O 3.48Å; P93-N101 HydrophobicContact CG-CB 3.92Å; F98-N101 WeakPolarHBondContact O-CA 3.44Å; F98-N101 WeakPolarHBondContact O-CB 3.48Å; F98-N101 PolarHBondContact O-N 3.15Å; I99-N101 VanDerWaalsContact C-N 3.29Å; I99-N101 PolarHBondContact O-N 2.93Å; N101-I103 PolarHBondContact O-N 3.42Å; N101-T104 PolarHBondContact O-N 3.04Å; N101-G105 PolarHBondContact O-N 2.86Å; N101-R322 PolarHBondContact OD1-NH1 3.39Å
102	M	82.1	Confident	81.7	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-57.8	-45.4	172.2	-170.2	-74.8	-74.3	0	0	112.3	I13 A92 P93 F98 I99 T104 G105 T106 H136 L139	I13-M102 HydrophobicContact CG2-CG 4.41Å; I13-M102 HydrophobicContact CG2-SD 4.14Å; A92-M102 HydrophobicContact CB-CB 4.34Å; A92-M102 HydrophobicContact CB-CG 3.87Å; P93-M102 HydrophobicContact CG-CB 4.28Å; F98-M102 PolarHBondContact O-N 2.99Å; F98-M102 VanDerWaalsContact O-N 3.16Å; I99-M102 HydrophobicContact CD1-CB 4.48Å; I99-M102 HydrophobicContact CD1-CE 3.37Å; I99-M102 HydrophobicContact CG1-CE 4.18Å; I99-M102 WeakPolarHBondContact O-CB 3.36Å; I99-M102 PolarHBondContact O-N 3.22Å; M102-T104 VanDerWaalsContact C-N 3.32Å; M102-T104 PolarHBondContact O-N 2.79Å; M102-G105 PolarHBondContact O-N 3.13Å; M102-T106 VanDerWaalsContact O-CB 3.28Å; M102-T106 WeakPolarHBondContact O-CB 3.44Å; M102-T106 PolarHBondContact O-N 3.4Å; M102-T106 PolarHBondContact O-OG1 3.28Å; M102-T106 PolarHBondContact SD-OG1 2.72Å; M102-H136 HydrophobicContact CE-CB 4.39Å; M102-L139 HydrophobicContact CE-CB 3.93Å; M102-L139 HydrophobicContact CE-CD1 3.33Å; M102-L139 HydrophobicContact CE-CG 4.27Å
103	I	82.2	Confident	82.3	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.6	-41.7	176.8	-70.9	163.9	0	0	0	111.2	I99 N101 T106 S107 L139 L143 D362	I99-I103 HydrophobicContact CG1-CD1 4.46Å; I99-I103 VanDerWaalsContact O-CG1 3.31Å; I99-I103 WeakPolarHBondContact O-CG1 3.47Å; I99-I103 PolarHBondContact O-N 3.02Å; N101-I103 PolarHBondContact O-N 3.42Å; I103-T106 PolarHBondContact O-N 2.79Å; I103-S107 PolarHBondContact O-N 2.96Å; I103-S107 PolarHBondContact O-OG 3.09Å; I103-L139 HydrophobicContact CD1-CD1 4.31Å; I103-L139 HydrophobicContact CD1-CD2 4.43Å; I103-L139 HydrophobicContact CG1-CD1 4.15Å; I103-L139 HydrophobicContact CG1-CD2 4.46Å; I103-L143 HydrophobicContact CB-CD1 4.21Å; I103-L143 HydrophobicContact CG1-CD1 4.29Å; I103-L143 HydrophobicContact CG2-CD1 3.79Å; I103-L143 HydrophobicContact CG2-CD2 4.12Å; I103-D362 HydrophobicContact CD1-CB 3.77Å; I103-D362 WeakPolarHBondContact CD1-OD2 3.47Å; I103-D362 HydrophobicContact CG2-CB 3.99Å
104	T	78.6	Confident	83.1	Confident	3 Å²	3	22.2 Å²	22.2	2%	0.018	11%	0.108	C	C	.	.	H	α-helix	trans	-67.9	-36.1	177.3	-62.9	0	0	0	0	112.7	I75 K100 N101 M102 S107 Q108 Q251 R322 T365 H367	I75-T104 HydrophobicContact CD1-CG2 4.43Å; K100-T104 PolarHBondContact O-N 2.78Å; K100-T104 VanDerWaalsContact O-N 3.16Å; K100-T104 PolarHBondContact O-OG1 2.76Å; K100-T104 VanDerWaalsContact O-OG1 3.11Å; N101-T104 PolarHBondContact O-N 3.04Å; M102-T104 VanDerWaalsContact C-N 3.32Å; M102-T104 PolarHBondContact O-N 2.79Å; T104-S107 PolarHBondContact O-OG 3.32Å; T104-Q108 WeakPolarHBondContact O-CG 3.42Å; T104-Q108 PolarHBondContact O-NE2 2.79Å; T104-Q251 HydrophobicContact CG2-CG 4.44Å; T104-R322 PolarHBondContact OG1-NH2 3.13Å; T104-T365 HydrophobicContact CG2-CG2 4.21Å; T104-H367 PolarHBondContact OG1-NE2 3.27Å
105	G	81.4	Confident	83.9	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-69.8	-38	172.6	0	0	0	0	0	112.4	I90 N101 M102 Q108	I90-G105 VanDerWaalsContact CD1-O 3.3Å; I90-G105 WeakPolarHBondContact CD1-O 3.45Å; N101-G105 PolarHBondContact O-N 2.86Å; M102-G105 PolarHBondContact O-N 3.13Å; G105-Q108 WeakPolarHBondContact O-CB 3.38Å; G105-Q108 PolarHBondContact O-N 2.91Å
106	T	85.4	Confident	84.8	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-71.9	-34.1	-178.5	-59.8	0	0	0	0	112.8	V11 M102 I103 Q108 A109 A140 L143 V145	V11-T106 HydrophobicContact CG1-CG2 4.37Å; M102-T106 VanDerWaalsContact O-CB 3.28Å; M102-T106 WeakPolarHBondContact O-CB 3.44Å; M102-T106 PolarHBondContact O-N 3.4Å; M102-T106 PolarHBondContact O-OG1 3.28Å; M102-T106 PolarHBondContact SD-OG1 2.72Å; I103-T106 PolarHBondContact O-N 2.79Å; T106-Q108 PolarHBondContact O-N 3.4Å; T106-A109 WeakPolarHBondContact O-CB 3.23Å; T106-A109 PolarHBondContact O-N 3.29Å; T106-A109 VanDerWaalsContact O-N 3.08Å; T106-A140 VanDerWaalsContact CG2-CA 3.47Å; T106-A140 HydrophobicContact CG2-CB 3.87Å; T106-L143 HydrophobicContact CG2-CB 4.2Å; T106-L143 HydrophobicContact CG2-CD1 3.71Å; T106-V145 HydrophobicContact CG2-CG2 3.77Å; T106-V145 WeakPolarHBondContact O-CG2 3.5Å
107	S	80.5	Confident	85.8	Confident	18 Å²	18	15.3 Å²	15.3	13%	0.126	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-18.1	174.6	61.1	0	0	0	0	113.1	I103 T104 R266 H364	I103-S107 PolarHBondContact O-N 2.96Å; I103-S107 PolarHBondContact O-OG 3.09Å; T104-S107 PolarHBondContact O-OG 3.32Å; S107-R266 PolarHBondContact O-NH1 2.86Å; S107-H364 PolarHBondContact OG-O 2.84Å
108	Q	77	Confident	86.8	Confident	2 Å²	2	11.4 Å²	11.4	1%	0.009	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-5	176	-60.2	169.5	51.8	0	0	113.7	N9 I90 T104 G105 T106 Q251 R266 N307	N9-Q108 WeakPolarHBondContact CB-O 3.45Å; I90-Q108 HydrophobicContact CD1-CB 3.67Å; T104-Q108 WeakPolarHBondContact O-CG 3.42Å; T104-Q108 PolarHBondContact O-NE2 2.79Å; G105-Q108 WeakPolarHBondContact O-CB 3.38Å; G105-Q108 PolarHBondContact O-N 2.91Å; T106-Q108 PolarHBondContact O-N 3.4Å; Q108-Q251 VanDerWaalsContact CG-NE2 3.35Å; Q108-R266 VanDerWaalsContact C-CZ 3.48Å; Q108-R266 VanDerWaalsContact CA-CD 3.48Å; Q108-R266 HydrophobicContact CG-CB 4.33Å; Q108-R266 WeakPolarHBondContact O-CD 3.28Å; Q108-R266 PolarHBondContact O-NE 3.35Å; Q108-R266 VanDerWaalsContact O-NE 3.1Å; Q108-R266 PolarHBondContact O-NH1 3.49Å; Q108-R266 PolarHBondContact O-NH2 3.34Å; Q108-N307 PolarHBondContact OE1-OD1 3.28Å
109	A	88.5	Confident	87.6	Confident	9 Å²	9	9.8 Å²	9.8	7%	0.074	5%	0.052	C	C	.	.			trans	-93.1	143.9	-169.7	0	0	0	0	0	112.7	V11 T106 V145	V11-A109 HydrophobicContact CB-CB 3.64Å; V11-A109 HydrophobicContact CG1-CB 3.44Å; V11-A109 VanDerWaalsContact CG1-CB 3.44Å; T106-A109 WeakPolarHBondContact O-CB 3.23Å; T106-A109 PolarHBondContact O-N 3.29Å; T106-A109 VanDerWaalsContact O-N 3.08Å; A109-V145 HydrophobicContact CB-CG2 4.02Å
110	D	90.5	Very high	88.1	Confident	17 Å²	17	14.6 Å²	14.6	9%	0.091	8%	0.082	C	C	.	.	S	Bend	trans	-91.9	-29.3	169.5	-61.1	-55.3	0	0	0	111.3	I8 N9 P238 R240 R266	I8-D110 HydrophobicContact CG2-CB 4.25Å; N9-D110 WeakPolarHBondContact CB-OD2 3.39Å; N9-D110 PolarHBondContact N-OD2 2.84Å; N9-D110 PolarHBondContact ND2-OD2 2.9Å; N9-D110 VanDerWaalsContact ND2-OD2 3.13Å; N9-D110 WeakPolarHBondContact O-CA 3.44Å; N9-D110 WeakPolarHBondContact O-CB 3.34Å; N9-D110 PolarHBondContact O-N 3.46Å; D110-P238 HydrophobicContact CB-CB 4.49Å; D110-P238 HydrophobicContact CB-CG 4.11Å; D110-P238 WeakPolarHBondContact OD1-CG 3.41Å; D110-R240 IonicContact OD1-CZ 3.58Å; D110-R240 IonicContact OD1-NH1 2.86Å; D110-R240 PolarHBondContact OD1-NH1 3.47Å; D110-R240 IonicContact OD1-NH2 2.65Å; D110-R240 IonicContact OD2-CZ 3.27Å; D110-R240 IonicContact OD2-NH1 3.25Å; D110-R240 PolarHBondContact OD2-NH1 3.47Å; D110-R240 IonicContact OD2-NH2 3.61Å; D110-R240 PolarHBondContact OD2-NH2 3.24Å; D110-R266 VanDerWaalsContact CG-NH2 3.27Å; D110-R266 IonicContact OD1-CZ 3.63Å; D110-R266 IonicContact OD1-NH2 3.85Å; D110-R266 PolarHBondContact OD1-NH2 2.96Å; D110-R266 IonicContact OD2-NH2 3.83Å; D110-R266 PolarHBondContact OD2-NH2 2.85Å
111	C	94.4	Very high	88.6	Confident	1 Å²	1	11.6 Å²	11.6	1%	0.007	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	148	177.9	-178	0	0	0	0	110.7	N9 I10 V11 V145 Q147 I235	N9-C111 PolarHBondContact O-N 3.24Å; I10-C111 WeakPolarHBondContact CA-O 3.41Å; V11-C111 PolarHBondContact N-O 3.17Å; C111-V145 VanDerWaalsContact C-CG1 3.41Å; C111-Q147 WeakPolarHBondContact CA-O 3.47Å; C111-Q147 HydrophobicContact CB-CB 4.03Å; C111-Q147 PolarHBondContact SG-O 3.1Å; C111-I235 HydrophobicContact CB-CD1 3.73Å; C111-I235 HydrophobicContact CB-CG1 4.17Å; C111-I235 HydrophobicContact CB-CG2 4.15Å
112	A	96	Very high	89.1	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	136.2	171.4	0	0	0	0	0	110.4	V11 I13 A140 V145 Q147 L148 I149	V11-A112 HydrophobicContact CG1-CB 3.88Å; V11-A112 CarbonylContact O-C 3.57Å; V11-A112 WeakPolarHBondContact O-CA 3.28Å; I13-A112 HydrophobicContact CD1-CB 3.86Å; I13-A112 HydrophobicContact CG1-CB 4.26Å; A112-A140 HydrophobicContact CB-CB 4.16Å; A112-V145 HydrophobicContact CB-CG1 3.78Å; A112-V145 VanDerWaalsContact N-CG1 3.26Å; A112-Q147 PolarHBondContact N-O 2.9Å; A112-L148 HydrophobicContact CB-CD1 3.85Å; A112-L148 WeakPolarHBondContact O-CA 3.49Å; A112-I149 PolarHBondContact O-N 2.94Å
113	V	96.8	Very high	89.6	Confident	6 Å²	6	13.6 Å²	13.6	4%	0.036	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	108.4	167.2	178.5	0	0	0	0	107.5	I10 V11 V12 I13 I115 I149 L228 L232	I10-V113 HydrophobicContact CG2-CB 4.41Å; I10-V113 HydrophobicContact CG2-CG2 3.48Å; I10-V113 VanDerWaalsContact CG2-CG2 3.48Å; V11-V113 PolarHBondContact O-N 3.06Å; V12-V113 WeakPolarHBondContact CA-O 3.3Å; V12-V113 HydrophobicContact CG2-CB 4.42Å; I13-V113 PolarHBondContact N-O 2.96Å; V113-I115 HydrophobicContact CG1-CD1 3.67Å; V113-I115 HydrophobicContact CG1-CG1 4.32Å; V113-I149 CarbonylContact C-O 3.48Å; V113-I149 WeakPolarHBondContact CA-O 3.43Å; V113-I149 HydrophobicContact CG2-CB 4.34Å; V113-L228 HydrophobicContact CG1-CD1 4.44Å; V113-L232 HydrophobicContact CG2-CD2 3.67Å
114	L	96.6	Very high	90.1	Very high	1 Å²	1	17 Å²	17	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	110.4	177.8	-177.7	68	0	0	0	110.1	I13 V116 T133 A137 L148 I149 V150 G151 V174	I13-L114 HydrophobicContact CD1-CD1 4.04Å; I13-L114 HydrophobicContact CG1-CB 4.27Å; I13-L114 HydrophobicContact CG1-CD1 3.84Å; I13-L114 CarbonylContact O-C 3.55Å; I13-L114 WeakPolarHBondContact O-CA 3.18Å; L114-V116 HydrophobicContact CD2-CG2 4.22Å; L114-V116 HydrophobicContact CG-CG2 4.02Å; L114-T133 HydrophobicContact CD1-CG2 3.92Å; L114-T133 HydrophobicContact CD2-CG2 3.95Å; L114-T133 HydrophobicContact CG-CG2 4.2Å; L114-A137 HydrophobicContact CD2-CB 4.28Å; L114-L148 HydrophobicContact CB-CD1 3.93Å; L114-I149 PolarHBondContact N-O 3.3Å; L114-V150 HydrophobicContact CB-CG2 4.37Å; L114-V150 HydrophobicContact CD2-CG2 4.38Å; L114-V150 CarbonylContact O-C 3.52Å; L114-V150 WeakPolarHBondContact O-CA 3.46Å; L114-G151 PolarHBondContact O-N 2.81Å; L114-V174 HydrophobicContact CD2-CG1 4.48Å
115	I	96.4	Very high	90.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	115.8	177.5	-56.4	-59.5	0	0	0	109.7	V12 I13 S18 K20 T23 V113 G151 N153 I193	V12-I115 HydrophobicContact CG1-CG1 3.65Å; I13-I115 PolarHBondContact O-N 3.07Å; S18-I115 WeakPolarHBondContact CB-O 3.34Å; S18-I115 WeakPolarHBondContact O-CG2 3.36Å; S18-I115 PolarHBondContact OG-O 3.14Å; S18-I115 VanDerWaalsContact OG-O 3.07Å; K20-I115 HydrophobicContact CG-CB 4.03Å; K20-I115 HydrophobicContact CG-CG1 4.28Å; T23-I115 HydrophobicContact CG2-CD1 4.09Å; V113-I115 HydrophobicContact CG1-CD1 3.67Å; V113-I115 HydrophobicContact CG1-CG1 4.32Å; I115-G151 WeakPolarHBondContact CA-O 3.2Å; I115-N153 HydrophobicContact CG2-CB 3.69Å; I115-I193 HydrophobicContact CD1-CD1 4.29Å
116	V	96.2	Very high	91	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.018	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.2	-179.4	-178.7	0	0	0	0	108.4	L114 F123 T133 V150 G151 V152 N153 I170 V174	L114-V116 HydrophobicContact CD2-CG2 4.22Å; L114-V116 HydrophobicContact CG-CG2 4.02Å; V116-F123 HydrophobicContact CG1-CD2 3.46Å; V116-F123 VanDerWaalsContact CG1-CD2 3.46Å; V116-F123 HydrophobicContact CG1-CE2 3.75Å; V116-T133 HydrophobicContact CG2-CG2 3.99Å; V116-V150 HydrophobicContact CG2-CG1 4.09Å; V116-G151 PolarHBondContact N-O 3.27Å; V116-V152 CarbonylContact O-C 3.6Å; V116-V152 WeakPolarHBondContact O-CA 3.24Å; V116-N153 PolarHBondContact O-N 2.94Å; V116-I170 HydrophobicContact CG1-CG2 3.95Å; V116-V174 HydrophobicContact CG1-CG2 4.46Å; V116-V174 HydrophobicContact CG2-CG2 4.37Å
117	A	95.2	Very high	91.2	Very high	6 Å²	6	19.5 Å²	19.5	5%	0.05	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	135.8	174.4	0	0	0	0	0	110.8	E122 F123 K154	A117-E122 HydrophobicContact CB-CB 3.74Å; A117-E122 WeakPolarHBondContact CB-OE2 3.49Å; A117-F123 WeakPolarHBondContact O-CA 3.33Å; A117-F123 VanDerWaalsContact O-CB 3.3Å; A117-F123 WeakPolarHBondContact O-CB 3.34Å; A117-K154 HydrophobicContact CB-CD 4.31Å
118	A	95.5	Very high	91.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.132	C	C	.	.			trans	-89.2	-14.6	178.9	0	0	0	0	0	114.1	V152 N153 M155 T158 R166 I170	A118-V152 HydrophobicContact CB-CG1 3.84Å; A118-N153 WeakPolarHBondContact CB-O 3.47Å; A118-N153 PolarHBondContact N-O 3.4Å; A118-M155 HydrophobicContact CB-SD 3.68Å; A118-T158 HydrophobicContact CB-CG2 3.62Å; A118-R166 PolarHBondContact O-NE 3.24Å; A118-I170 HydrophobicContact CB-CD1 3.73Å
119	G	91.9	Very high	91.5	Very high	4 Å²	4	29.3 Å²	29.3	4%	0.041	17%	0.169	C	C	.	.	S	Bend	trans	-53.3	146.6	177.8	0	0	0	0	0	112.3	G121 E122 F123 R166	G119-G121 PolarHBondContact O-N 3.41Å; G119-E122 PolarHBondContact O-N 3.22Å; G119-F123 PolarHBondContact O-N 3.44Å; G119-R166 PolarHBondContact O-NH2 2.8Å
120	V	88.2	Confident	90.9	Very high	103 Å²	103	34 Å²	34	62%	0.624	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	131.1	174.9	-177.2	0	0	0	0	108.8	E122	V120-E122 PolarHBondContact O-N 3.43Å
121	G	88	Confident	90.6	Very high	40 Å²	40	33.4 Å²	33.4	41%	0.412	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	-38.8	-174.8	0	0	0	0	0	113.4	G119 E124 A125	G119-G121 PolarHBondContact O-N 3.41Å; G121-E124 VanDerWaalsContact CA-OE2 3.31Å; G121-E124 WeakPolarHBondContact CA-OE2 3.48Å; G121-E124 PolarHBondContact N-OE2 2.98Å; G121-A125 WeakPolarHBondContact O-CB 3.42Å; G121-A125 PolarHBondContact O-N 2.63Å
122	E	89.9	Confident	90.2	Very high	69 Å²	69	33.8 Å²	33.8	32%	0.322	19%	0.193	S	C	.	.	H	α-helix	trans	-70.1	-43.2	178.5	-62	-168.2	140.7	0	0	112.3	A117 G119 V120 G126 K154	A117-E122 HydrophobicContact CB-CB 3.74Å; A117-E122 WeakPolarHBondContact CB-OE2 3.49Å; G119-E122 PolarHBondContact O-N 3.22Å; V120-E122 PolarHBondContact O-N 3.43Å; E122-G126 PolarHBondContact O-N 2.61Å; E122-K154 IonicContact OE1-NZ 3.54Å; E122-K154 PolarHBondContact OE1-NZ 3.01Å; E122-K154 WeakPolarHBondContact OE2-CD 3.42Å; E122-K154 IonicContact OE2-NZ 2.85Å; E122-K154 PolarHBondContact OE2-NZ 3.38Å
123	F	92.8	Very high	89.8	Confident	3 Å²	3	34.2 Å²	34.2	1%	0.013	20%	0.195	C	C	.	.	H	α-helix	trans	-61	-50.2	174.4	174.5	-118.3	0	0	0	110.9	V116 A117 G119 A125 G126 I127 R166 I170 E173 V174	V116-F123 HydrophobicContact CG1-CD2 3.46Å; V116-F123 VanDerWaalsContact CG1-CD2 3.46Å; V116-F123 HydrophobicContact CG1-CE2 3.75Å; A117-F123 WeakPolarHBondContact O-CA 3.33Å; A117-F123 VanDerWaalsContact O-CB 3.3Å; A117-F123 WeakPolarHBondContact O-CB 3.34Å; G119-F123 PolarHBondContact O-N 3.44Å; F123-A125 VanDerWaalsContact C-N 3.33Å; F123-A125 PolarHBondContact O-N 2.97Å; F123-G126 PolarHBondContact O-N 2.86Å; F123-G126 VanDerWaalsContact O-N 3.13Å; F123-I127 HydrophobicContact CE1-CG2 4.29Å; F123-I127 HydrophobicContact CE2-CB 4.38Å; F123-I127 HydrophobicContact CE2-CD1 4.09Å; F123-I127 HydrophobicContact CZ-CB 4.43Å; F123-I127 HydrophobicContact CZ-CD1 3.79Å; F123-I127 HydrophobicContact CZ-CG2 4.19Å; F123-I127 WeakPolarHBondContact O-CG2 3.32Å; F123-I127 PolarHBondContact O-N 3.2Å; F123-R166 VanDerWaalsContact CB-NH2 3.33Å; F123-I170 HydrophobicContact CD1-CG1 3.96Å; F123-I170 HydrophobicContact CD2-CD1 4.42Å; F123-I170 HydrophobicContact CD2-CG1 3.89Å; F123-I170 HydrophobicContact CD2-CG2 4.09Å; F123-I170 HydrophobicContact CE1-CG1 4.04Å; F123-I170 HydrophobicContact CE2-CB 4.22Å; F123-I170 HydrophobicContact CE2-CG1 3.99Å; F123-I170 HydrophobicContact CE2-CG2 3.74Å; F123-I170 HydrophobicContact CG-CD1 4.35Å; F123-I170 HydrophobicContact CG-CG1 3.89Å; F123-I170 HydrophobicContact CZ-CB 4.31Å; F123-I170 HydrophobicContact CZ-CG1 4.07Å; F123-I170 HydrophobicContact CZ-CG2 4.27Å; F123-E173 HydrophobicContact CE1-CB 4.4Å; F123-E173 WeakPolarHBondContact CE1-OE2 3.24Å; F123-E173 HydrophobicContact CZ-CB 3.86Å; F123-E173 HydrophobicContact CZ-CG 4.44Å; F123-E173 WeakPolarHBondContact CZ-OE2 3.23Å; F123-V174 HydrophobicContact CE2-CG2 3.9Å; F123-V174 HydrophobicContact CZ-CG2 4.38Å
124	E	93.4	Very high	89.4	Confident	72 Å²	72	38 Å²	38	34%	0.336	21%	0.209	S	C	.	.	H	α-helix	trans	-62	-41	-178.6	-69.1	73.7	-162.8	0	0	111	G121 I127 S128 R166	G121-E124 VanDerWaalsContact CA-OE2 3.31Å; G121-E124 WeakPolarHBondContact CA-OE2 3.48Å; G121-E124 PolarHBondContact N-OE2 2.98Å; E124-I127 PolarHBondContact O-N 3.25Å; E124-S128 WeakPolarHBondContact O-CA 3.32Å; E124-S128 VanDerWaalsContact O-CB 3.29Å; E124-S128 WeakPolarHBondContact O-CB 2.96Å; E124-S128 PolarHBondContact O-N 3.26Å; E124-R166 VanDerWaalsContact CD-NH2 3.29Å; E124-R166 IonicContact OE1-CZ 3.8Å; E124-R166 VanDerWaalsContact OE1-CZ 3.25Å; E124-R166 IonicContact OE1-NH1 3.57Å; E124-R166 PolarHBondContact OE1-NH1 2.8Å; E124-R166 IonicContact OE1-NH2 3.53Å; E124-R166 PolarHBondContact OE1-NH2 3.28Å; E124-R166 IonicContact OE2-NH2 2.79Å; E124-R166 PolarHBondContact OE2-NH2 3.02Å
125	A	89.8	Confident	88.9	Confident	40 Å²	40	39 Å²	39	33%	0.331	21%	0.214	S	C	.	.	H	α-helix	trans	-60.9	-46.4	173.5	0	0	0	0	0	111.4	G121 F123 I127 S128 G131	G121-A125 WeakPolarHBondContact O-CB 3.42Å; G121-A125 PolarHBondContact O-N 2.63Å; F123-A125 VanDerWaalsContact C-N 3.33Å; F123-A125 PolarHBondContact O-N 2.97Å; A125-I127 PolarHBondContact O-N 3.25Å; A125-S128 WeakPolarHBondContact O-CB 2.88Å; A125-S128 PolarHBondContact O-N 2.8Å; A125-S128 PolarHBondContact O-OG 2.93Å; A125-G131 VanDerWaalsContact O-CA 3.22Å; A125-G131 WeakPolarHBondContact O-CA 3.03Å
126	G	87.3	Confident	88.6	Confident	2 Å²	2	39 Å²	39	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-66.4	-34.7	-179.9	0	0	0	0	0	114.3	E122 F123 G131 T133	E122-G126 PolarHBondContact O-N 2.61Å; F123-G126 PolarHBondContact O-N 2.86Å; F123-G126 VanDerWaalsContact O-N 3.13Å; G126-G131 CarbonylContact O-C 3.56Å; G126-G131 WeakPolarHBondContact O-CA 3.33Å; G126-T133 WeakPolarHBondContact O-CB 3.45Å; G126-T133 PolarHBondContact O-N 3.31Å; G126-T133 PolarHBondContact O-OG1 2.96Å
127	I	89.9	Confident	88.3	Confident	13 Å²	13	38.9 Å²	38.9	7%	0.067	21%	0.213	C	C	.	.	H	α-helix	trans	-94.7	-4.2	178.1	-152.7	163	0	0	0	113.4	F123 E124 A125 R134 E173 V174	F123-I127 HydrophobicContact CE1-CG2 4.29Å; F123-I127 HydrophobicContact CE2-CB 4.38Å; F123-I127 HydrophobicContact CE2-CD1 4.09Å; F123-I127 HydrophobicContact CZ-CB 4.43Å; F123-I127 HydrophobicContact CZ-CD1 3.79Å; F123-I127 HydrophobicContact CZ-CG2 4.19Å; F123-I127 WeakPolarHBondContact O-CG2 3.32Å; F123-I127 PolarHBondContact O-N 3.2Å; E124-I127 PolarHBondContact O-N 3.25Å; A125-I127 PolarHBondContact O-N 3.25Å; I127-R134 HydrophobicContact CG1-CG 4.29Å; I127-R134 WeakPolarHBondContact O-CD 3.12Å; I127-R134 PolarHBondContact O-NE 3.46Å; I127-R134 PolarHBondContact O-NH1 2.79Å; I127-R134 PolarHBondContact O-NH2 2.78Å; I127-E173 HydrophobicContact CD1-CB 4.1Å; I127-V174 HydrophobicContact CD1-CG2 4.46Å
128	S	87.1	Confident	88	Confident	45 Å²	45	39.6 Å²	39.6	32%	0.315	22%	0.216	S	C	.	.	S	Bend	trans	-58	167.8	175.9	73.5	0	0	0	0	111.9	E124 A125 N130 G131	E124-S128 WeakPolarHBondContact O-CA 3.32Å; E124-S128 VanDerWaalsContact O-CB 3.29Å; E124-S128 WeakPolarHBondContact O-CB 2.96Å; E124-S128 PolarHBondContact O-N 3.26Å; A125-S128 WeakPolarHBondContact O-CB 2.88Å; A125-S128 PolarHBondContact O-N 2.8Å; A125-S128 PolarHBondContact O-OG 2.93Å; S128-N130 PolarHBondContact O-N 3.08Å; S128-N130 VanDerWaalsContact O-N 3.14Å; S128-N130 PolarHBondContact OG-N 3.44Å; S128-G131 WeakPolarHBondContact O-CA 3.26Å; S128-G131 PolarHBondContact O-N 3Å; S128-G131 PolarHBondContact OG-N 3.47Å
129	K	78.3	Confident	87.6	Confident	181 Å²	181	39.6 Å²	39.6	79%	0.787	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-29.7	174.1	-172.3	178.3	178.1	-176.7	0	112.2
130	N	75.4	Confident	87.6	Confident	107 Å²	107	39.4 Å²	39.4	57%	0.572	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-2.6	176.5	-75.5	-32.3	0	0	0	113.2	R96 S128	R96-N130 VanDerWaalsContact NH2-C 3.34Å; R96-N130 PolarHBondContact NH2-O 3.41Å; R96-N130 PolarHBondContact NH2-OD1 3.47Å; S128-N130 PolarHBondContact O-N 3.08Å; S128-N130 VanDerWaalsContact O-N 3.14Å; S128-N130 PolarHBondContact OG-N 3.44Å
131	G	83	Confident	87.7	Confident	5 Å²	5	38.7 Å²	38.7	5%	0.052	20%	0.201	C	C	.	.			trans	-73	144.7	-177.7	0	0	0	0	0	112.3	A125 G126 S128	A125-G131 VanDerWaalsContact O-CA 3.22Å; A125-G131 WeakPolarHBondContact O-CA 3.03Å; G126-G131 CarbonylContact O-C 3.56Å; G126-G131 WeakPolarHBondContact O-CA 3.33Å; S128-G131 WeakPolarHBondContact O-CA 3.26Å; S128-G131 PolarHBondContact O-N 3Å; S128-G131 PolarHBondContact OG-N 3.47Å
132	Q	85.9	Confident	87.5	Confident	9 Å²	9	37.5 Å²	37.5	4%	0.042	19%	0.185	C	C	.	.	H	α-helix	trans	-84.4	-22.9	-175.9	-70.4	153.3	-23.5	0	0	112.9	H15 V16 G94 R96 R134 E135 H136	H15-Q132 PolarHBondContact CE1-OE1 2.89Å; H15-Q132 PolarHBondContact ND1-OE1 2.92Å; V16-Q132 VanDerWaalsContact CG2-OE1 3.24Å; G94-Q132 PolarHBondContact O-NE2 3.49Å; G94-Q132 PolarHBondContact O-OE1 3.45Å; R96-Q132 HydrophobicContact CG-CG 4.33Å; Q132-R134 PolarHBondContact O-N 3.47Å; Q132-R134 VanDerWaalsContact O-N 3.17Å; Q132-E135 PolarHBondContact O-N 3.25Å; Q132-H136 VanDerWaalsContact O-CB 3.29Å; Q132-H136 WeakPolarHBondContact O-CB 3.06Å; Q132-H136 PolarHBondContact O-CD2 2.84Å; Q132-H136 VanDerWaalsContact O-CD2 3.28Å; Q132-H136 PolarHBondContact O-N 3.35Å
133	T	89.2	Confident	87.2	Confident	9 Å²	9	35 Å²	35	6%	0.055	17%	0.174	C	C	.	.	H	α-helix	trans	-53.4	-40.5	177.2	-55	0	0	0	0	110.5	L114 V116 G126 A137	L114-T133 HydrophobicContact CD1-CG2 3.92Å; L114-T133 HydrophobicContact CD2-CG2 3.95Å; L114-T133 HydrophobicContact CG-CG2 4.2Å; V116-T133 HydrophobicContact CG2-CG2 3.99Å; G126-T133 WeakPolarHBondContact O-CB 3.45Å; G126-T133 PolarHBondContact O-N 3.31Å; G126-T133 PolarHBondContact O-OG1 2.96Å; T133-A137 WeakPolarHBondContact O-CB 3.04Å; T133-A137 PolarHBondContact O-N 3.18Å
134	R	87.6	Confident	86.8	Confident	86 Å²	86	35.9 Å²	35.9	33%	0.325	18%	0.184	S	C	.	.	H	α-helix	trans	-66.3	-55	177.6	-72.4	-165.4	171.5	165.7	10.5	112.5	I127 Q132 H136 A137 L138 Y177	I127-R134 HydrophobicContact CG1-CG 4.29Å; I127-R134 WeakPolarHBondContact O-CD 3.12Å; I127-R134 PolarHBondContact O-NE 3.46Å; I127-R134 PolarHBondContact O-NH1 2.79Å; I127-R134 PolarHBondContact O-NH2 2.78Å; Q132-R134 PolarHBondContact O-N 3.47Å; Q132-R134 VanDerWaalsContact O-N 3.17Å; R134-H136 VanDerWaalsContact C-N 3.3Å; R134-H136 PolarHBondContact O-N 3.42Å; R134-A137 PolarHBondContact O-N 2.98Å; R134-L138 WeakPolarHBondContact O-CB 3.41Å; R134-L138 PolarHBondContact O-N 2.83Å; R134-L138 VanDerWaalsContact O-N 3.12Å; R134-Y177 VanDerWaalsContact C-OH 3.29Å; R134-Y177 VanDerWaalsContact CA-CE1 3.45Å; R134-Y177 VanDerWaalsContact CA-OH 3.29Å; R134-Y177 WeakPolarHBondContact CA-OH 3.46Å; R134-Y177 HydrophobicContact CB-CE1 3.83Å; R134-Y177 HydrophobicContact CB-CE2 4.01Å; R134-Y177 VanDerWaalsContact CB-CZ 3.41Å; R134-Y177 WeakPolarHBondContact CB-OH 3.29Å; R134-Y177 VanDerWaalsContact CD-CE2 3.49Å; R134-Y177 HydrophobicContact CG-CD1 4.17Å; R134-Y177 HydrophobicContact CG-CD2 4.04Å; R134-Y177 HydrophobicContact CG-CE1 3.68Å; R134-Y177 HydrophobicContact CG-CE2 3.56Å; R134-Y177 HydrophobicContact CG-CG 4.34Å; R134-Y177 PolarHBondContact O-OH 2.86Å
135	E	86	Confident	86.6	Confident	22 Å²	22	32.6 Å²	32.6	10%	0.103	17%	0.169	C	C	.	.	H	α-helix	trans	-59.9	-40.8	-179.6	-175.9	169.1	-150.3	0	0	111.7	Q132 L138 L139 R427 T432	Q132-E135 PolarHBondContact O-N 3.25Å; E135-L138 PolarHBondContact O-N 2.85Å; E135-L139 HydrophobicContact CG-CD1 3.77Å; E135-L139 HydrophobicContact CG-CG 4.32Å; E135-L139 WeakPolarHBondContact O-CB 3.41Å; E135-L139 VanDerWaalsContact O-CG 3.25Å; E135-L139 WeakPolarHBondContact O-CG 3.46Å; E135-L139 PolarHBondContact O-N 3.14Å; E135-R427 IonicContact OE1-NE 3.32Å; E135-R427 IonicContact OE1-NH2 2.68Å; E135-T432 WeakPolarHBondContact OE1-CB 3.4Å; E135-T432 PolarHBondContact OE1-N 2.99Å; E135-T432 PolarHBondContact OE1-OG1 2.84Å
136	H	89.7	Confident	86.6	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.9	-46.3	-178.7	-67.5	-173.8	0	0	0	112.5	I13 G14 I99 M102 Q132 R134 L138 L139 A140	I13-H136 HydrophobicContact CB-CB 4.08Å; I13-H136 HydrophobicContact CD1-CB 4.12Å; G14-H136 PolarHBondContact N-ND1 3.43Å; G14-H136 PolarHBondContact O-CE1 3.16Å; G14-H136 PolarHBondContact O-ND1 3.43Å; I99-H136 WeakPolarHBondContact CD1-NE2 3.08Å; M102-H136 HydrophobicContact CE-CB 4.39Å; Q132-H136 VanDerWaalsContact O-CB 3.29Å; Q132-H136 WeakPolarHBondContact O-CB 3.06Å; Q132-H136 PolarHBondContact O-CD2 2.84Å; Q132-H136 VanDerWaalsContact O-CD2 3.28Å; Q132-H136 PolarHBondContact O-N 3.35Å; R134-H136 VanDerWaalsContact C-N 3.3Å; R134-H136 PolarHBondContact O-N 3.42Å; H136-L138 VanDerWaalsContact C-N 3.29Å; H136-L138 PolarHBondContact O-N 2.93Å; H136-L139 PolarHBondContact O-N 3.34Å; H136-A140 WeakPolarHBondContact O-CB 3.39Å; H136-A140 PolarHBondContact O-N 3.26Å
137	A	91.3	Very high	86.9	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.1	-38.7	178.1	0	0	0	0	0	111.7	L114 T133 R134 Y141 Y177 I181 Y183	L114-A137 HydrophobicContact CD2-CB 4.28Å; T133-A137 WeakPolarHBondContact O-CB 3.04Å; T133-A137 PolarHBondContact O-N 3.18Å; R134-A137 PolarHBondContact O-N 2.98Å; A137-Y141 PolarHBondContact O-N 3.46Å; A137-Y141 VanDerWaalsContact O-N 3.11Å; A137-Y177 HydrophobicContact CB-CE1 4.36Å; A137-I181 HydrophobicContact CB-CD1 3.58Å; A137-Y183 PolarHBondContact O-OH 2.96Å
138	L	88.4	Confident	87.3	Confident	21 Å²	21	39 Å²	39	11%	0.11	19%	0.189	C	C	.	.	H	α-helix	trans	-63.5	-47.9	174.3	170.6	68.9	0	0	0	112	R134 E135 H136 Y141 T142 I181 L347 T432	R134-L138 WeakPolarHBondContact O-CB 3.41Å; R134-L138 PolarHBondContact O-N 2.83Å; R134-L138 VanDerWaalsContact O-N 3.12Å; E135-L138 PolarHBondContact O-N 2.85Å; H136-L138 VanDerWaalsContact C-N 3.29Å; H136-L138 PolarHBondContact O-N 2.93Å; L138-Y141 PolarHBondContact O-N 2.99Å; L138-T142 WeakPolarHBondContact O-CB 3.24Å; L138-T142 PolarHBondContact O-N 3.19Å; L138-T142 PolarHBondContact O-OG1 3.48Å; L138-I181 HydrophobicContact CB-CD1 4.26Å; L138-I181 HydrophobicContact CB-CG1 4.4Å; L138-I181 HydrophobicContact CD1-CG2 4.36Å; L138-L347 HydrophobicContact CD1-CD1 3.84Å; L138-L347 HydrophobicContact CD2-CD1 3.36Å; L138-L347 HydrophobicContact CG-CD1 4.11Å; L138-T432 HydrophobicContact CD2-CG2 4.27Å
139	L	87.6	Confident	87.7	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.5	-42.2	178.4	-75.6	172.2	0	0	0	111.3	I99 M102 I103 E135 H136 Y141 T142 L143 A425 T432	I99-L139 HydrophobicContact CD1-CD1 3.9Å; I99-L139 HydrophobicContact CG1-CD1 4.06Å; M102-L139 HydrophobicContact CE-CB 3.93Å; M102-L139 HydrophobicContact CE-CD1 3.33Å; M102-L139 HydrophobicContact CE-CG 4.27Å; I103-L139 HydrophobicContact CD1-CD1 4.31Å; I103-L139 HydrophobicContact CD1-CD2 4.43Å; I103-L139 HydrophobicContact CG1-CD1 4.15Å; I103-L139 HydrophobicContact CG1-CD2 4.46Å; E135-L139 HydrophobicContact CG-CD1 3.77Å; E135-L139 HydrophobicContact CG-CG 4.32Å; E135-L139 WeakPolarHBondContact O-CB 3.41Å; E135-L139 VanDerWaalsContact O-CG 3.25Å; E135-L139 WeakPolarHBondContact O-CG 3.46Å; E135-L139 PolarHBondContact O-N 3.14Å; H136-L139 PolarHBondContact O-N 3.34Å; L139-Y141 PolarHBondContact O-N 3.36Å; L139-T142 PolarHBondContact O-N 3.38Å; L139-L143 WeakPolarHBondContact O-CB 3.22Å; L139-L143 WeakPolarHBondContact O-CD1 3.32Å; L139-L143 WeakPolarHBondContact O-CG 3.23Å; L139-L143 PolarHBondContact O-N 2.95Å; L139-A425 HydrophobicContact CD2-CB 3.41Å; L139-A425 VanDerWaalsContact CD2-CB 3.41Å; L139-T432 HydrophobicContact CD2-CG2 4.05Å
140	A	90.8	Very high	88.7	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57	-48.7	174.4	0	0	0	0	0	112.5	I13 T106 A112 H136 T142 L143 G144 V145	I13-A140 HydrophobicContact CD1-CB 3.9Å; T106-A140 VanDerWaalsContact CG2-CA 3.47Å; T106-A140 HydrophobicContact CG2-CB 3.87Å; A112-A140 HydrophobicContact CB-CB 4.16Å; H136-A140 WeakPolarHBondContact O-CB 3.39Å; H136-A140 PolarHBondContact O-N 3.26Å; A140-T142 VanDerWaalsContact C-N 3.33Å; A140-T142 PolarHBondContact O-N 2.89Å; A140-L143 PolarHBondContact O-N 2.91Å; A140-G144 PolarHBondContact O-N 3.23Å; A140-V145 HydrophobicContact CB-CB 4.2Å; A140-V145 VanDerWaalsContact O-CB 3.3Å; A140-V145 WeakPolarHBondContact O-CB 3.41Å; A140-V145 PolarHBondContact O-N 2.88Å
141	Y	89.6	Confident	89.7	Confident	89 Å²	89	23.5 Å²	23.5	35%	0.349	11%	0.111	S	C	.	.	H	α-helix	trans	-62.9	-43.4	177.6	-172.5	-97.1	0	0	0	111.7	A137 L138 L139 L143 G144 I181 Y183	A137-Y141 PolarHBondContact O-N 3.46Å; A137-Y141 VanDerWaalsContact O-N 3.11Å; L138-Y141 PolarHBondContact O-N 2.99Å; L139-Y141 PolarHBondContact O-N 3.36Å; Y141-L143 VanDerWaalsContact C-N 3.34Å; Y141-L143 PolarHBondContact O-N 3.16Å; Y141-G144 PolarHBondContact O-N 3.43Å; Y141-G144 VanDerWaalsContact O-N 3.13Å; Y141-I181 VanDerWaalsContact CB-CG2 3.48Å; Y141-I181 HydrophobicContact CD1-CG2 3.92Å; Y141-I181 HydrophobicContact CD2-CG2 4.36Å; Y141-I181 HydrophobicContact CG-CG2 3.67Å; Y141-Y183 WeakPolarHBondContact CA-OH 3.18Å; Y141-Y183 HydrophobicContact CD2-CD1 4.02Å; Y141-Y183 HydrophobicContact CD2-CD2 4.12Å; Y141-Y183 AromaticContact CD2-CE1 3.81Å; Y141-Y183 HydrophobicContact CD2-CE1 3.81Å; Y141-Y183 AromaticContact CD2-CE2 3.93Å; Y141-Y183 HydrophobicContact CD2-CE2 3.93Å; Y141-Y183 HydrophobicContact CD2-CG 4.18Å; Y141-Y183 AromaticContact CD2-CZ 3.77Å; Y141-Y183 HydrophobicContact CG-CE2 4.21Å; Y141-Y183 PolarHBondContact N-OH 2.78Å; Y141-Y183 VanDerWaalsContact N-OH 3.14Å
142	T	84	Confident	90.4	Very high	14 Å²	14	23.3 Å²	23.3	9%	0.086	11%	0.109	C	C	.	.	H	α-helix	trans	-64.3	-38.8	-179.4	-58.8	0	0	0	0	111.9	L138 L139 A140 G144 R423 F424 V435	L138-T142 WeakPolarHBondContact O-CB 3.24Å; L138-T142 PolarHBondContact O-N 3.19Å; L138-T142 PolarHBondContact O-OG1 3.48Å; L139-T142 PolarHBondContact O-N 3.38Å; A140-T142 VanDerWaalsContact C-N 3.33Å; A140-T142 PolarHBondContact O-N 2.89Å; T142-G144 PolarHBondContact O-N 2.87Å; T142-R423 VanDerWaalsContact O-CB 3.27Å; T142-R423 WeakPolarHBondContact O-CB 3.3Å; T142-R423 WeakPolarHBondContact O-CD 3.36Å; T142-F424 WeakPolarHBondContact CG2-O 3.49Å; T142-V435 HydrophobicContact CG2-CB 3.63Å; T142-V435 HydrophobicContact CG2-CG1 3.65Å; T142-V435 WeakPolarHBondContact OG1-CG1 3.35Å
143	L	84.3	Confident	90.9	Very high	17 Å²	17	23 Å²	23	9%	0.089	11%	0.108	C	C	.	.	H	α-helix	trans	-77.6	-5.9	179	-66.2	166.4	0	0	0	112.4	I103 T106 L139 A140 Y141	I103-L143 HydrophobicContact CB-CD1 4.21Å; I103-L143 HydrophobicContact CG1-CD1 4.29Å; I103-L143 HydrophobicContact CG2-CD1 3.79Å; I103-L143 HydrophobicContact CG2-CD2 4.12Å; T106-L143 HydrophobicContact CG2-CB 4.2Å; T106-L143 HydrophobicContact CG2-CD1 3.71Å; L139-L143 WeakPolarHBondContact O-CB 3.22Å; L139-L143 WeakPolarHBondContact O-CD1 3.32Å; L139-L143 WeakPolarHBondContact O-CG 3.23Å; L139-L143 PolarHBondContact O-N 2.95Å; A140-L143 PolarHBondContact O-N 2.91Å; Y141-L143 VanDerWaalsContact C-N 3.34Å; Y141-L143 PolarHBondContact O-N 3.16Å
144	G	84	Confident	91.2	Very high	22 Å²	22	24.6 Å²	24.6	23%	0.227	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.6	3.2	172.8	0	0	0	0	0	115.6	A140 Y141 T142 K146	A140-G144 PolarHBondContact O-N 3.23Å; Y141-G144 PolarHBondContact O-N 3.43Å; Y141-G144 VanDerWaalsContact O-N 3.13Å; T142-G144 PolarHBondContact O-N 2.87Å; G144-K146 PolarHBondContact O-N 2.85Å
145	V	90.4	Very high	91.6	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.012	10%	0.098	C	C	.	.			trans	-76.4	95.6	176.7	-170.1	0	0	0	0	108.3	T106 A109 C111 A112 A140 Y183	T106-V145 HydrophobicContact CG2-CG2 3.77Å; T106-V145 WeakPolarHBondContact O-CG2 3.5Å; A109-V145 HydrophobicContact CB-CG2 4.02Å; C111-V145 VanDerWaalsContact C-CG1 3.41Å; A112-V145 HydrophobicContact CB-CG1 3.78Å; A112-V145 VanDerWaalsContact N-CG1 3.26Å; A140-V145 HydrophobicContact CB-CB 4.2Å; A140-V145 VanDerWaalsContact O-CB 3.3Å; A140-V145 WeakPolarHBondContact O-CB 3.41Å; A140-V145 PolarHBondContact O-N 2.88Å; V145-Y183 WeakPolarHBondContact O-CE1 3.24Å; V145-Y183 PolarHBondContact O-OH 3.08Å
146	K	89.3	Confident	92	Very high	144 Å²	144	21.3 Å²	21.3	63%	0.626	10%	0.103	S	C	*	.			trans	-85.4	-19.6	-176	-66.7	-177.3	-179.2	179.9	0	113.7	G144	G144-K146 PolarHBondContact O-N 2.85Å
147	Q	93.8	Very high	92.1	Very high	39 Å²	39	24.4 Å²	24.4	18%	0.182	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	128.5	-178.9	-62.7	-170.2	88.2	0	0	110.2	C111 A112 L236	C111-Q147 WeakPolarHBondContact CA-O 3.47Å; C111-Q147 HydrophobicContact CB-CB 4.03Å; C111-Q147 PolarHBondContact SG-O 3.1Å; A112-Q147 PolarHBondContact N-O 2.9Å; Q147-L236 PolarHBondContact NE2-O 3.37Å
148	L	96.5	Very high	92.2	Very high	7 Å²	7	24.6 Å²	24.6	4%	0.037	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.9	-176.5	-173.9	70.8	0	0	0	110.1	A112 L114 V150 I178 Y183 V188	A112-L148 HydrophobicContact CB-CD1 3.85Å; A112-L148 WeakPolarHBondContact O-CA 3.49Å; L114-L148 HydrophobicContact CB-CD1 3.93Å; L148-V150 HydrophobicContact CD2-CG2 4.26Å; L148-V150 HydrophobicContact CG-CG2 4.36Å; L148-I178 HydrophobicContact CD2-CB 4.3Å; L148-I178 HydrophobicContact CD2-CD1 4.27Å; L148-I178 HydrophobicContact CD2-CG2 3.82Å; L148-Y183 HydrophobicContact CB-CD1 3.92Å; L148-Y183 HydrophobicContact CB-CE1 3.77Å; L148-Y183 HydrophobicContact CD2-CD1 4.39Å; L148-Y183 HydrophobicContact CD2-CD2 4.03Å; L148-Y183 HydrophobicContact CD2-CE1 4.45Å; L148-Y183 HydrophobicContact CD2-CE2 4.08Å; L148-Y183 HydrophobicContact CD2-CG 4.18Å; L148-V188 HydrophobicContact CB-CG2 4.06Å; L148-V188 HydrophobicContact CD2-CG1 4.47Å; L148-V188 HydrophobicContact CD2-CG2 4.47Å; L148-V188 HydrophobicContact CG-CG1 4.43Å; L148-V188 WeakPolarHBondContact O-CG1 3.48Å
149	I	97.1	Very high	92.4	Very high	8 Å²	8	31.6 Å²	31.6	4%	0.041	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	139.1	167.5	-64	162.8	0	0	0	106.9	A112 V113 L114 A189 L228 A231 L232 I235	A112-I149 PolarHBondContact O-N 2.94Å; V113-I149 CarbonylContact C-O 3.48Å; V113-I149 WeakPolarHBondContact CA-O 3.43Å; V113-I149 HydrophobicContact CG2-CB 4.34Å; L114-I149 PolarHBondContact N-O 3.3Å; I149-A189 HydrophobicContact CG2-CB 4.47Å; I149-L228 HydrophobicContact CG2-CD1 3.92Å; I149-A231 HydrophobicContact CD1-CB 4.19Å; I149-A231 VanDerWaalsContact CD1-O 3.28Å; I149-A231 WeakPolarHBondContact CD1-O 3.45Å; I149-A231 HydrophobicContact CG1-CB 4.47Å; I149-A231 HydrophobicContact CG2-CB 3.97Å; I149-L232 HydrophobicContact CD1-CD2 3.82Å; I149-I235 HydrophobicContact CD1-CD1 4.05Å; I149-I235 HydrophobicContact CD1-CG1 3.94Å
150	V	97.7	Very high	92.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	115.2	178.4	179	0	0	0	0	109.3	L114 V116 L148 V152 V174 V188 A189 F190 V191	L114-V150 HydrophobicContact CB-CG2 4.37Å; L114-V150 HydrophobicContact CD2-CG2 4.38Å; L114-V150 CarbonylContact O-C 3.52Å; L114-V150 WeakPolarHBondContact O-CA 3.46Å; V116-V150 HydrophobicContact CG2-CG1 4.09Å; L148-V150 HydrophobicContact CD2-CG2 4.26Å; L148-V150 HydrophobicContact CG-CG2 4.36Å; V150-V152 HydrophobicContact CG1-CG2 4.3Å; V150-V174 HydrophobicContact CG1-CG1 4.29Å; V150-V174 HydrophobicContact CG2-CG1 4.22Å; V150-V188 HydrophobicContact CB-CG1 4.42Å; V150-V188 HydrophobicContact CG2-CG1 3.7Å; V150-A189 PolarHBondContact N-O 3.13Å; V150-F190 HydrophobicContact CB-CD1 3.63Å; V150-F190 HydrophobicContact CB-CE1 3.83Å; V150-F190 HydrophobicContact CB-CG 4.28Å; V150-F190 HydrophobicContact CG1-CD1 3.67Å; V150-F190 HydrophobicContact CG1-CE1 3.86Å; V150-F190 HydrophobicContact CG2-CD1 4.16Å; V150-F190 HydrophobicContact CG2-CE1 3.83Å; V150-F190 HydrophobicContact CG2-CZ 4.26Å; V150-F190 CarbonylContact O-C 2.93Å; V150-F190 WeakPolarHBondContact O-CA 3.43Å; V150-V191 PolarHBondContact O-N 3.34Å
151	G	97.4	Very high	92.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	110.6	169.2	0	0	0	0	0	109.9	L114 I115 V116 N153 V191	L114-G151 PolarHBondContact O-N 2.81Å; I115-G151 WeakPolarHBondContact CA-O 3.2Å; V116-G151 PolarHBondContact N-O 3.27Å; G151-N153 PolarHBondContact O-N 2.96Å; G151-V191 CarbonylContact C-O 3.48Å; G151-V191 WeakPolarHBondContact CA-O 3.33Å
152	V	97.4	Very high	93	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	94.1	171.9	-177.2	0	0	0	0	107.3	V116 A118 V150 M155 Y167 I170 V191 P192 I193	V116-V152 CarbonylContact O-C 3.6Å; V116-V152 WeakPolarHBondContact O-CA 3.24Å; A118-V152 HydrophobicContact CB-CG1 3.84Å; V150-V152 HydrophobicContact CG1-CG2 4.3Å; V152-M155 HydrophobicContact CG1-SD 3.78Å; V152-M155 WeakPolarHBondContact O-CG 3.2Å; V152-Y167 HydrophobicContact CB-CD2 3.96Å; V152-Y167 HydrophobicContact CB-CE2 4.11Å; V152-Y167 HydrophobicContact CG1-CD2 4.03Å; V152-Y167 HydrophobicContact CG2-CD2 3.96Å; V152-Y167 HydrophobicContact CG2-CE2 3.82Å; V152-I170 HydrophobicContact CG1-CD1 3.89Å; V152-I170 HydrophobicContact CG1-CG2 4.09Å; V152-I170 HydrophobicContact CG2-CG2 3.96Å; V152-V191 PolarHBondContact N-O 3.46Å; V152-P192 CarbonylContact O-C 3.34Å; V152-P192 WeakPolarHBondContact O-CA 3.39Å; V152-I193 PolarHBondContact O-N 3.37Å
153	N	96.7	Very high	93.6	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	166.5	-169.7	-165.5	23.4	0	0	0	112.8	S18 T23 I115 V116 A118 G151 M155 I193 G195	S18-N153 PolarHBondContact O-ND2 3.27Å; T23-N153 PolarHBondContact OG1-ND2 2.64Å; I115-N153 HydrophobicContact CG2-CB 3.69Å; V116-N153 PolarHBondContact O-N 2.94Å; A118-N153 WeakPolarHBondContact CB-O 3.47Å; A118-N153 PolarHBondContact N-O 3.4Å; G151-N153 PolarHBondContact O-N 2.96Å; N153-M155 VanDerWaalsContact C-N 3.28Å; N153-M155 PolarHBondContact O-N 2.76Å; N153-I193 CarbonylContact C-O 3.48Å; N153-I193 WeakPolarHBondContact CA-O 3.13Å; N153-I193 HydrophobicContact CB-CD1 4.3Å; N153-I193 HydrophobicContact CB-CG1 4.02Å; N153-G195 PolarHBondContact OD1-N 2.81Å
154	K	95.4	Very high	94.2	Very high	41 Å²	41	40.5 Å²	40.5	18%	0.178	22%	0.217	C	C	.	.			trans	59.3	37	-179	-51.1	-174	-175	-179.4	0	113	D17 A117 E122 D156 S157 I193	D17-K154 WeakPolarHBondContact O-CE 3.41Å; D17-K154 PolarHBondContact O-NZ 3.09Å; A117-K154 HydrophobicContact CB-CD 4.31Å; E122-K154 IonicContact OE1-NZ 3.54Å; E122-K154 PolarHBondContact OE1-NZ 3.01Å; E122-K154 WeakPolarHBondContact OE2-CD 3.42Å; E122-K154 IonicContact OE2-NZ 2.85Å; E122-K154 PolarHBondContact OE2-NZ 3.38Å; K154-D156 WeakPolarHBondContact CA-OD1 3.45Å; K154-D156 PolarHBondContact O-N 3.03Å; K154-S157 PolarHBondContact O-N 3.43Å; K154-I193 PolarHBondContact N-O 2.82Å
155	M	95.9	Very high	94.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-60.8	-26.9	174.8	-71.6	-60.2	-55.5	0	0	112.4	A118 V152 N153 S157 T158 Y162 P192 I193 M208 W210	A118-M155 HydrophobicContact CB-SD 3.68Å; V152-M155 HydrophobicContact CG1-SD 3.78Å; V152-M155 WeakPolarHBondContact O-CG 3.2Å; N153-M155 VanDerWaalsContact C-N 3.28Å; N153-M155 PolarHBondContact O-N 2.76Å; M155-S157 PolarHBondContact O-N 3.3Å; M155-T158 HydrophobicContact CE-CG2 4.27Å; M155-T158 PolarHBondContact O-N 3.43Å; M155-T158 PolarHBondContact O-OG1 3.38Å; M155-T158 HydrophobicContact SD-CG2 4.26Å; M155-Y162 HydrophobicContact CB-CD1 3.84Å; M155-Y162 HydrophobicContact CB-CE1 4.29Å; M155-Y162 WeakPolarHBondContact O-CA 3.23Å; M155-Y162 PolarHBondContact O-N 3.34Å; M155-P192 HydrophobicContact CG-CB 3.86Å; M155-P192 HydrophobicContact SD-CB 4.23Å; M155-I193 PolarHBondContact N-O 2.89Å; M155-M208 HydrophobicContact CB-SD 4.13Å; M155-M208 HydrophobicContact CG-SD 4.18Å; M155-W210 HydrophobicContact CE-CH2 4.12Å; M155-W210 HydrophobicContact CE-CZ2 3.96Å
156	D	93.8	Very high	95	Very high	40 Å²	40	48.3 Å²	48.3	21%	0.214	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-62	-25.3	171.8	55.8	-80.2	0	0	0	113.7	K154 Y162 S194 N197	K154-D156 WeakPolarHBondContact CA-OD1 3.45Å; K154-D156 PolarHBondContact O-N 3.03Å; D156-Y162 HydrophobicContact CB-CE1 4.19Å; D156-Y162 HydrophobicContact CB-CE2 4.35Å; D156-S194 VanDerWaalsContact OD1-CB 3.24Å; D156-S194 WeakPolarHBondContact OD1-CB 3.03Å; D156-S194 PolarHBondContact OD1-OG 3.43Å; D156-N197 WeakPolarHBondContact CB-ND2 3.4Å
157	S	92.8	Very high	95.4	Very high	65 Å²	65	42.6 Å²	42.6	46%	0.455	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-99.3	8.2	-176.5	-57.8	0	0	0	0	113.2	K154 M155	K154-S157 PolarHBondContact O-N 3.43Å; M155-S157 PolarHBondContact O-N 3.3Å
158	T	93.9	Very high	95.5	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.018	23%	0.233	C	C	.	.	S	Bend	trans	-76	162.6	173.5	63.9	0	0	0	0	110.9	A118 M155 P160 P161 Y162 S163 R166	A118-T158 HydrophobicContact CB-CG2 3.62Å; M155-T158 HydrophobicContact CE-CG2 4.27Å; M155-T158 PolarHBondContact O-N 3.43Å; M155-T158 PolarHBondContact O-OG1 3.38Å; M155-T158 HydrophobicContact SD-CG2 4.26Å; T158-P160 VanDerWaalsContact C-C 3.41Å; T158-P160 CarbonylContact C-O 3.56Å; T158-P160 WeakPolarHBondContact CB-O 3.49Å; T158-P160 CarbonylContact O-C 3.13Å; T158-P160 PolarHBondContact OG1-O 3.01Å; T158-P161 VanDerWaalsContact O-CA 3.24Å; T158-P161 WeakPolarHBondContact O-CA 3.43Å; T158-Y162 PolarHBondContact OG1-N 3.21Å; T158-S163 PolarHBondContact OG1-N 3.29Å; T158-R166 HydrophobicContact CG2-CB 4.37Å; T158-R166 HydrophobicContact CG2-CG 3.92Å
159	E	91.3	Very high	95.5	Very high	168 Å²	168	49 Å²	49	79%	0.785	25%	0.249	S	C	*	.	S	Bend	trans	-116.2	111	173.8	-68.4	-178.5	-171.8	0	0	110.4
160	P	93.5	Very high	95.5	Very high	91 Å²	91	48.7 Å²	48.7	59%	0.591	25%	0.247	S	C	*	.	S	Bend	cis	-66.5	165	-8.1	31.7	-37	0	0	0	112.4	T158 Y162 S163	T158-P160 VanDerWaalsContact C-C 3.41Å; T158-P160 CarbonylContact C-O 3.56Å; T158-P160 WeakPolarHBondContact CB-O 3.49Å; T158-P160 CarbonylContact O-C 3.13Å; T158-P160 PolarHBondContact OG1-O 3.01Å; P160-Y162 PolarHBondContact O-N 2.93Å; P160-S163 VanDerWaalsContact O-CB 3.22Å; P160-S163 WeakPolarHBondContact O-CB 3.28Å; P160-S163 PolarHBondContact O-N 2.87Å
161	P	93.9	Very high	95.4	Very high	84 Å²	84	50.1 Å²	50.1	55%	0.545	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	140.4	175.5	-28.3	36.1	0	0	0	111.6	T158 S163	T158-P161 VanDerWaalsContact O-CA 3.24Å; T158-P161 WeakPolarHBondContact O-CA 3.43Å; P161-S163 VanDerWaalsContact C-N 3.32Å; P161-S163 PolarHBondContact O-N 2.77Å
162	Y	94.9	Very high	95.4	Very high	35 Å²	35	57.6 Å²	57.6	14%	0.137	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	41.2	-178.9	-52.9	-80.8	0	0	0	113.4	M155 D156 T158 P160 Q164 N197 D199 N207 M208 W210	M155-Y162 HydrophobicContact CB-CD1 3.84Å; M155-Y162 HydrophobicContact CB-CE1 4.29Å; M155-Y162 WeakPolarHBondContact O-CA 3.23Å; M155-Y162 PolarHBondContact O-N 3.34Å; D156-Y162 HydrophobicContact CB-CE1 4.19Å; D156-Y162 HydrophobicContact CB-CE2 4.35Å; T158-Y162 PolarHBondContact OG1-N 3.21Å; P160-Y162 PolarHBondContact O-N 2.93Å; Y162-Q164 PolarHBondContact O-N 3.28Å; Y162-N197 PolarHBondContact OH-ND2 2.72Å; Y162-D199 HydrophobicContact CE1-CB 4.39Å; Y162-D199 PolarHBondContact OH-OD2 3.02Å; Y162-D199 VanDerWaalsContact OH-OD2 3.1Å; Y162-N207 WeakPolarHBondContact CB-O 3.07Å; Y162-N207 HydrophobicContact CD1-CB 3.91Å; Y162-N207 HydrophobicContact CD2-CB 3.73Å; Y162-N207 HydrophobicContact CE1-CB 3.84Å; Y162-N207 HydrophobicContact CE2-CB 3.65Å; Y162-N207 HydrophobicContact CG-CB 3.85Å; Y162-N207 PolarHBondContact OH-ND2 2.98Å; Y162-M208 HydrophobicContact CD1-CE 3.96Å; Y162-M208 HydrophobicContact CD1-CG 3.66Å; Y162-M208 HydrophobicContact CD1-SD 3.88Å; Y162-M208 HydrophobicContact CE1-CE 4.24Å; Y162-M208 HydrophobicContact CG-CG 4.06Å; Y162-W210 WeakPolarHBondContact O-CZ2 3.44Å; Y162-W210 PolarHBondContact O-NE1 3.04Å
163	S	95.3	Very high	95.2	Very high	15 Å²	15	61.4 Å²	61.4	11%	0.105	31%	0.306	C	S	.	.			trans	-70.3	116.2	-176.1	174.4	0	0	0	0	112.7	T158 P160 P161 K165 R166 Y167	T158-S163 PolarHBondContact OG1-N 3.29Å; P160-S163 VanDerWaalsContact O-CB 3.22Å; P160-S163 WeakPolarHBondContact O-CB 3.28Å; P160-S163 PolarHBondContact O-N 2.87Å; P161-S163 VanDerWaalsContact C-N 3.32Å; P161-S163 PolarHBondContact O-N 2.77Å; S163-K165 VanDerWaalsContact C-N 3.34Å; S163-K165 PolarHBondContact O-N 3.35Å; S163-R166 PolarHBondContact O-N 2.96Å; S163-R166 PolarHBondContact OG-N 3.37Å; S163-Y167 PolarHBondContact O-N 2.9Å; S163-Y167 VanDerWaalsContact O-N 3.12Å
164	Q	96.4	Very high	95.2	Very high	82 Å²	82	61.4 Å²	61.4	38%	0.383	31%	0.306	S	S	.	.	H	α-helix	trans	-57.5	-45.6	172.4	-179	178	-4.7	0	0	112	Y162 R166 Y167 E168 W210	Y162-Q164 PolarHBondContact O-N 3.28Å; Q164-R166 VanDerWaalsContact C-N 3.29Å; Q164-R166 PolarHBondContact O-N 3.28Å; Q164-Y167 WeakPolarHBondContact O-CB 3.26Å; Q164-Y167 PolarHBondContact O-N 3.36Å; Q164-E168 HydrophobicContact CG-CG 4.34Å; Q164-E168 WeakPolarHBondContact CG-OE1 3.48Å; Q164-E168 PolarHBondContact NE2-OE1 2.82Å; Q164-E168 WeakPolarHBondContact O-CG 2.94Å; Q164-E168 PolarHBondContact O-N 2.6Å; Q164-W210 HydrophobicContact CB-CB 4.47Å; Q164-W210 HydrophobicContact CB-CD2 3.57Å; Q164-W210 HydrophobicContact CB-CE3 3.85Å; Q164-W210 HydrophobicContact CB-CG 3.84Å; Q164-W210 HydrophobicContact CB-CZ2 4.32Å; Q164-W210 HydrophobicContact CB-CZ3 4.36Å; Q164-W210 HydrophobicContact CG-CB 4.48Å; Q164-W210 HydrophobicContact CG-CD2 3.86Å; Q164-W210 HydrophobicContact CG-CE3 3.66Å; Q164-W210 HydrophobicContact CG-CG 4.22Å; Q164-W210 HydrophobicContact CG-CZ3 4.22Å
165	K	96.4	Very high	95.2	Very high	170 Å²	170	60.5 Å²	60.5	74%	0.739	31%	0.305	S	S	*	.	H	α-helix	trans	-58.2	-43.2	-178.6	-177.7	-175.1	176.4	-173	0	111.3	S163 E168 E169	S163-K165 VanDerWaalsContact C-N 3.34Å; S163-K165 PolarHBondContact O-N 3.35Å; K165-E168 PolarHBondContact O-N 2.79Å; K165-E169 PolarHBondContact O-N 3.24Å; K165-E169 VanDerWaalsContact O-N 3.1Å
166	R	96	Very high	95.2	Very high	19 Å²	19	63.9 Å²	63.9	7%	0.072	33%	0.326	C	S	.	.	H	α-helix	trans	-67.1	-42.4	178.7	-177.6	53.8	170.1	-177.8	-4.3	111.6	A118 G119 F123 E124 T158 S163 Q164 E169 I170	A118-R166 PolarHBondContact O-NE 3.24Å; G119-R166 PolarHBondContact O-NH2 2.8Å; F123-R166 VanDerWaalsContact CB-NH2 3.33Å; E124-R166 VanDerWaalsContact CD-NH2 3.29Å; E124-R166 IonicContact OE1-CZ 3.8Å; E124-R166 VanDerWaalsContact OE1-CZ 3.25Å; E124-R166 IonicContact OE1-NH1 3.57Å; E124-R166 PolarHBondContact OE1-NH1 2.8Å; E124-R166 IonicContact OE1-NH2 3.53Å; E124-R166 PolarHBondContact OE1-NH2 3.28Å; E124-R166 IonicContact OE2-NH2 2.79Å; E124-R166 PolarHBondContact OE2-NH2 3.02Å; T158-R166 HydrophobicContact CG2-CB 4.37Å; T158-R166 HydrophobicContact CG2-CG 3.92Å; S163-R166 PolarHBondContact O-N 2.96Å; S163-R166 PolarHBondContact OG-N 3.37Å; Q164-R166 VanDerWaalsContact C-N 3.29Å; Q164-R166 PolarHBondContact O-N 3.28Å; R166-E169 WeakPolarHBondContact CD-OE2 3.44Å; R166-E169 IonicContact CZ-OE2 3.75Å; R166-E169 IonicContact NH1-OE1 3.54Å; R166-E169 IonicContact NH1-OE2 3.38Å; R166-E169 PolarHBondContact NH1-OE2 2.71Å; R166-E169 PolarHBondContact O-N 3.43Å; R166-I170 HydrophobicContact CG-CD1 4.01Å; R166-I170 WeakPolarHBondContact O-CD1 3.48Å; R166-I170 VanDerWaalsContact O-CG1 3.3Å; R166-I170 WeakPolarHBondContact O-CG1 3.1Å; R166-I170 PolarHBondContact O-N 3.41Å; R166-I170 VanDerWaalsContact O-N 3.11Å
167	Y	97.2	Very high	95.1	Very high	23 Å²	23	64 Å²	64	9%	0.09	32%	0.323	C	S	.	.	H	α-helix	trans	-58.4	-48.9	174.5	170.4	-102.5	0	0	0	112	V152 S163 Q164 E169 I170 V171 F190 P192 W210 F211	V152-Y167 HydrophobicContact CB-CD2 3.96Å; V152-Y167 HydrophobicContact CB-CE2 4.11Å; V152-Y167 HydrophobicContact CG1-CD2 4.03Å; V152-Y167 HydrophobicContact CG2-CD2 3.96Å; V152-Y167 HydrophobicContact CG2-CE2 3.82Å; S163-Y167 PolarHBondContact O-N 2.9Å; S163-Y167 VanDerWaalsContact O-N 3.12Å; Q164-Y167 WeakPolarHBondContact O-CB 3.26Å; Q164-Y167 PolarHBondContact O-N 3.36Å; Y167-E169 VanDerWaalsContact C-N 3.35Å; Y167-E169 PolarHBondContact O-N 3Å; Y167-I170 PolarHBondContact O-N 3.05Å; Y167-V171 HydrophobicContact CD1-CG2 4.22Å; Y167-V171 HydrophobicContact CD2-CG2 4.06Å; Y167-V171 HydrophobicContact CE1-CG2 3.79Å; Y167-V171 HydrophobicContact CE2-CG2 3.6Å; Y167-V171 HydrophobicContact CG-CG2 4.35Å; Y167-V171 VanDerWaalsContact CZ-CG2 3.45Å; Y167-V171 VanDerWaalsContact O-CG2 3.29Å; Y167-V171 WeakPolarHBondContact O-CG2 3.49Å; Y167-V171 PolarHBondContact O-N 2.79Å; Y167-F190 WeakPolarHBondContact OH-CB 3.44Å; Y167-F190 PolarHBondContact OH-O 3.25Å; Y167-P192 HydrophobicContact CD2-CB 3.63Å; Y167-P192 HydrophobicContact CD2-CG 4.15Å; Y167-P192 HydrophobicContact CE2-CB 3.7Å; Y167-P192 HydrophobicContact CE2-CG 3.85Å; Y167-P192 HydrophobicContact CG-CB 4.35Å; Y167-W210 AromaticContact CD1-CH2 3.89Å; Y167-W210 HydrophobicContact CD1-CH2 3.89Å; Y167-W210 AromaticContact CD1-CZ3 3.58Å; Y167-W210 HydrophobicContact CD1-CZ3 3.58Å; Y167-W210 HydrophobicContact CE1-CZ3 4.16Å; Y167-W210 AromaticContact CG-CH2 3.78Å; Y167-W210 HydrophobicContact CG-CH2 3.78Å; Y167-W210 AromaticContact CG-CZ3 3.98Å; Y167-W210 HydrophobicContact CG-CZ3 3.98Å; Y167-F211 HydrophobicContact CE1-CD2 4.26Å; Y167-F211 HydrophobicContact CE1-CE2 4.26Å
168	E	96.6	Very high	95.1	Very high	103 Å²	103	60.9 Å²	60.9	48%	0.481	30%	0.302	S	S	.	.	H	α-helix	trans	-63	-38.6	-179.4	-71.4	173.3	178	0	0	112.9	Q164 K165 V171 K172	Q164-E168 HydrophobicContact CG-CG 4.34Å; Q164-E168 WeakPolarHBondContact CG-OE1 3.48Å; Q164-E168 PolarHBondContact NE2-OE1 2.82Å; Q164-E168 WeakPolarHBondContact O-CG 2.94Å; Q164-E168 PolarHBondContact O-N 2.6Å; K165-E168 PolarHBondContact O-N 2.79Å; E168-V171 PolarHBondContact O-N 3.06Å; E168-K172 WeakPolarHBondContact O-CB 3.25Å; E168-K172 PolarHBondContact O-N 3.31Å
169	E	96	Very high	95.1	Very high	79 Å²	79	67.7 Å²	67.7	37%	0.369	33%	0.331	S	S	.	.	H	α-helix	trans	-57.4	-52.6	172.2	178.2	-175.2	-158.4	0	0	111.1	K165 R166 Y167 V171 K172 E173	K165-E169 PolarHBondContact O-N 3.24Å; K165-E169 VanDerWaalsContact O-N 3.1Å; R166-E169 WeakPolarHBondContact CD-OE2 3.44Å; R166-E169 IonicContact CZ-OE2 3.75Å; R166-E169 IonicContact NH1-OE1 3.54Å; R166-E169 IonicContact NH1-OE2 3.38Å; R166-E169 PolarHBondContact NH1-OE2 2.71Å; R166-E169 PolarHBondContact O-N 3.43Å; Y167-E169 VanDerWaalsContact C-N 3.35Å; Y167-E169 PolarHBondContact O-N 3Å; E169-V171 PolarHBondContact O-N 3.37Å; E169-K172 PolarHBondContact O-N 3.18Å; E169-E173 PolarHBondContact O-N 3.36Å
170	I	96.2	Very high	95	Very high	0 Å²	0	67 Å²	67	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-60.6	-46.6	179.8	-68.1	165.3	0	0	0	110.7	V116 A118 F123 V152 R166 Y167 K172 E173 V174	V116-I170 HydrophobicContact CG1-CG2 3.95Å; A118-I170 HydrophobicContact CB-CD1 3.73Å; F123-I170 HydrophobicContact CD1-CG1 3.96Å; F123-I170 HydrophobicContact CD2-CD1 4.42Å; F123-I170 HydrophobicContact CD2-CG1 3.89Å; F123-I170 HydrophobicContact CD2-CG2 4.09Å; F123-I170 HydrophobicContact CE1-CG1 4.04Å; F123-I170 HydrophobicContact CE2-CB 4.22Å; F123-I170 HydrophobicContact CE2-CG1 3.99Å; F123-I170 HydrophobicContact CE2-CG2 3.74Å; F123-I170 HydrophobicContact CG-CD1 4.35Å; F123-I170 HydrophobicContact CG-CG1 3.89Å; F123-I170 HydrophobicContact CZ-CB 4.31Å; F123-I170 HydrophobicContact CZ-CG1 4.07Å; F123-I170 HydrophobicContact CZ-CG2 4.27Å; V152-I170 HydrophobicContact CG1-CD1 3.89Å; V152-I170 HydrophobicContact CG1-CG2 4.09Å; V152-I170 HydrophobicContact CG2-CG2 3.96Å; R166-I170 HydrophobicContact CG-CD1 4.01Å; R166-I170 WeakPolarHBondContact O-CD1 3.48Å; R166-I170 VanDerWaalsContact O-CG1 3.3Å; R166-I170 WeakPolarHBondContact O-CG1 3.1Å; R166-I170 PolarHBondContact O-N 3.41Å; R166-I170 VanDerWaalsContact O-N 3.11Å; Y167-I170 PolarHBondContact O-N 3.05Å; I170-K172 VanDerWaalsContact C-N 3.3Å; I170-K172 PolarHBondContact O-N 3.42Å; I170-E173 PolarHBondContact O-N 3.04Å; I170-V174 HydrophobicContact CG2-CG2 4Å; I170-V174 WeakPolarHBondContact O-CB 3.31Å; I170-V174 VanDerWaalsContact O-CG2 3.25Å; I170-V174 WeakPolarHBondContact O-CG2 3.31Å; I170-V174 PolarHBondContact O-N 2.89Å
171	V	96.6	Very high	94.8	Very high	30 Å²	30	63.6 Å²	63.6	18%	0.182	30%	0.302	C	S	.	.	H	α-helix	trans	-57.9	-45	178.4	170.9	0	0	0	0	110.5	Y167 E168 E169 S175 F190	Y167-V171 HydrophobicContact CD1-CG2 4.22Å; Y167-V171 HydrophobicContact CD2-CG2 4.06Å; Y167-V171 HydrophobicContact CE1-CG2 3.79Å; Y167-V171 HydrophobicContact CE2-CG2 3.6Å; Y167-V171 HydrophobicContact CG-CG2 4.35Å; Y167-V171 VanDerWaalsContact CZ-CG2 3.45Å; Y167-V171 VanDerWaalsContact O-CG2 3.29Å; Y167-V171 WeakPolarHBondContact O-CG2 3.49Å; Y167-V171 PolarHBondContact O-N 2.79Å; E168-V171 PolarHBondContact O-N 3.06Å; E169-V171 PolarHBondContact O-N 3.37Å; V171-S175 WeakPolarHBondContact O-CB 3.07Å; V171-S175 PolarHBondContact O-N 2.89Å; V171-S175 PolarHBondContact O-OG 3.48Å; V171-F190 HydrophobicContact CB-CD1 4.29Å; V171-F190 HydrophobicContact CG1-CD1 4.13Å; V171-F190 HydrophobicContact CG1-CD2 4.25Å; V171-F190 HydrophobicContact CG1-CE1 4.38Å; V171-F190 HydrophobicContact CG1-CG 4.06Å; V171-F190 HydrophobicContact CG2-CB 3.93Å; V171-F190 HydrophobicContact CG2-CD1 3.83Å; V171-F190 HydrophobicContact CG2-CG 4.01Å
172	K	96.4	Very high	94.5	Very high	157 Å²	157	61.3 Å²	61.3	68%	0.683	29%	0.294	S	S	*	.	H	α-helix	trans	-62.7	-46.7	179.8	-177.8	-178.6	178.3	-177.3	0	112.1	E168 E169 I170 T176	E168-K172 WeakPolarHBondContact O-CB 3.25Å; E168-K172 PolarHBondContact O-N 3.31Å; E169-K172 PolarHBondContact O-N 3.18Å; I170-K172 VanDerWaalsContact C-N 3.3Å; I170-K172 PolarHBondContact O-N 3.42Å; K172-T176 WeakPolarHBondContact O-CB 3.43Å; K172-T176 PolarHBondContact O-N 3.46Å; K172-T176 PolarHBondContact O-OG1 2.91Å
173	E	95	Very high	94.5	Very high	81 Å²	81	60 Å²	60	38%	0.379	29%	0.289	S	S	.	.	H	α-helix	trans	-67.9	-47.8	-179.3	-73.5	-156.2	174.4	0	0	112.5	F123 I127 E169 I170 S175 T176 Y177	F123-E173 HydrophobicContact CE1-CB 4.4Å; F123-E173 WeakPolarHBondContact CE1-OE2 3.24Å; F123-E173 HydrophobicContact CZ-CB 3.86Å; F123-E173 HydrophobicContact CZ-CG 4.44Å; F123-E173 WeakPolarHBondContact CZ-OE2 3.23Å; I127-E173 HydrophobicContact CD1-CB 4.1Å; E169-E173 PolarHBondContact O-N 3.36Å; I170-E173 PolarHBondContact O-N 3.04Å; E173-S175 PolarHBondContact O-N 3.38Å; E173-T176 PolarHBondContact O-N 3.13Å; E173-Y177 PolarHBondContact O-N 2.85Å
174	V	95.5	Very high	94.4	Very high	3 Å²	3	63 Å²	63	2%	0.018	30%	0.304	C	S	.	.	H	α-helix	trans	-64	-42.5	178.5	176.6	0	0	0	0	110.2	L114 V116 F123 I127 V150 I170 T176 Y177 I178 F190	L114-V174 HydrophobicContact CD2-CG1 4.48Å; V116-V174 HydrophobicContact CG1-CG2 4.46Å; V116-V174 HydrophobicContact CG2-CG2 4.37Å; F123-V174 HydrophobicContact CE2-CG2 3.9Å; F123-V174 HydrophobicContact CZ-CG2 4.38Å; I127-V174 HydrophobicContact CD1-CG2 4.46Å; V150-V174 HydrophobicContact CG1-CG1 4.29Å; V150-V174 HydrophobicContact CG2-CG1 4.22Å; I170-V174 HydrophobicContact CG2-CG2 4Å; I170-V174 WeakPolarHBondContact O-CB 3.31Å; I170-V174 VanDerWaalsContact O-CG2 3.25Å; I170-V174 WeakPolarHBondContact O-CG2 3.31Å; I170-V174 PolarHBondContact O-N 2.89Å; V174-T176 VanDerWaalsContact C-N 3.34Å; V174-T176 PolarHBondContact O-N 3.44Å; V174-Y177 PolarHBondContact O-N 3.13Å; V174-Y177 VanDerWaalsContact O-N 3.07Å; V174-I178 HydrophobicContact CG1-CG2 4.04Å; V174-I178 WeakPolarHBondContact O-CG1 3.35Å; V174-I178 WeakPolarHBondContact O-CG2 3.32Å; V174-I178 PolarHBondContact O-N 2.68Å; V174-F190 HydrophobicContact CB-CE1 4.01Å; V174-F190 HydrophobicContact CG1-CE1 3.79Å; V174-F190 HydrophobicContact CG1-CZ 4.36Å
175	S	96	Very high	94.4	Very high	23 Å²	23	60 Å²	60	16%	0.161	29%	0.292	C	S	.	.	H	α-helix	trans	-57.3	-45.6	174.7	-68.1	0	0	0	0	112.2	V171 E173 Y177 I178 K179 P185 F190	V171-S175 WeakPolarHBondContact O-CB 3.07Å; V171-S175 PolarHBondContact O-N 2.89Å; V171-S175 PolarHBondContact O-OG 3.48Å; E173-S175 PolarHBondContact O-N 3.38Å; S175-Y177 PolarHBondContact O-N 3.45Å; S175-I178 WeakPolarHBondContact O-CG1 3.44Å; S175-K179 VanDerWaalsContact O-CB 3.25Å; S175-K179 WeakPolarHBondContact O-CB 3.41Å; S175-K179 PolarHBondContact O-N 3.25Å; S175-K179 VanDerWaalsContact O-N 3.12Å; S175-P185 WeakPolarHBondContact O-CG 2.83Å; S175-F190 WeakPolarHBondContact OG-CE2 3.34Å; S175-F190 WeakPolarHBondContact OG-CZ 3.42Å
176	T	94.9	Very high	94.3	Very high	71 Å²	71	56.9 Å²	56.9	44%	0.436	28%	0.283	S	S	.	.	H	α-helix	trans	-61	-38.4	176.7	-60.2	0	0	0	0	111.2	K172 E173 V174 K180	K172-T176 WeakPolarHBondContact O-CB 3.43Å; K172-T176 PolarHBondContact O-N 3.46Å; K172-T176 PolarHBondContact O-OG1 2.91Å; E173-T176 PolarHBondContact O-N 3.13Å; V174-T176 VanDerWaalsContact C-N 3.34Å; V174-T176 PolarHBondContact O-N 3.44Å; T176-K180 WeakPolarHBondContact O-CG 3.36Å; T176-K180 PolarHBondContact O-N 2.73Å
177	Y	91.8	Very high	94.2	Very high	41 Å²	41	58.2 Å²	58.2	16%	0.161	29%	0.293	C	S	.	.	H	α-helix	trans	-74	-50.1	-178	-178.2	-100.8	0	0	0	113.1	R134 A137 E173 V174 S175 K179 K180 I181	R134-Y177 VanDerWaalsContact C-OH 3.29Å; R134-Y177 VanDerWaalsContact CA-CE1 3.45Å; R134-Y177 VanDerWaalsContact CA-OH 3.29Å; R134-Y177 WeakPolarHBondContact CA-OH 3.46Å; R134-Y177 HydrophobicContact CB-CE1 3.83Å; R134-Y177 HydrophobicContact CB-CE2 4.01Å; R134-Y177 VanDerWaalsContact CB-CZ 3.41Å; R134-Y177 WeakPolarHBondContact CB-OH 3.29Å; R134-Y177 VanDerWaalsContact CD-CE2 3.49Å; R134-Y177 HydrophobicContact CG-CD1 4.17Å; R134-Y177 HydrophobicContact CG-CD2 4.04Å; R134-Y177 HydrophobicContact CG-CE1 3.68Å; R134-Y177 HydrophobicContact CG-CE2 3.56Å; R134-Y177 HydrophobicContact CG-CG 4.34Å; R134-Y177 PolarHBondContact O-OH 2.86Å; A137-Y177 HydrophobicContact CB-CE1 4.36Å; E173-Y177 PolarHBondContact O-N 2.85Å; V174-Y177 PolarHBondContact O-N 3.13Å; V174-Y177 VanDerWaalsContact O-N 3.07Å; S175-Y177 PolarHBondContact O-N 3.45Å; Y177-K179 PolarHBondContact O-N 3.41Å; Y177-K180 WeakPolarHBondContact O-CA 3.4Å; Y177-K180 WeakPolarHBondContact O-CB 3.37Å; Y177-K180 PolarHBondContact O-N 3.23Å; Y177-I181 HydrophobicContact CD1-CD1 3.81Å; Y177-I181 HydrophobicContact CE1-CD1 3.14Å; Y177-I181 HydrophobicContact CE1-CG1 3.94Å; Y177-I181 PolarHBondContact O-N 3.41Å
178	I	94.2	Very high	94.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.3	-30.8	179.6	67.8	-177.2	0	0	0	111.3	L148 V174 S175 K180 I181 G182 Y183 P185 V188 F190	L148-I178 HydrophobicContact CD2-CB 4.3Å; L148-I178 HydrophobicContact CD2-CD1 4.27Å; L148-I178 HydrophobicContact CD2-CG2 3.82Å; V174-I178 HydrophobicContact CG1-CG2 4.04Å; V174-I178 WeakPolarHBondContact O-CG1 3.35Å; V174-I178 WeakPolarHBondContact O-CG2 3.32Å; V174-I178 PolarHBondContact O-N 2.68Å; S175-I178 WeakPolarHBondContact O-CG1 3.44Å; I178-K180 VanDerWaalsContact C-N 3.34Å; I178-K180 PolarHBondContact O-N 3.27Å; I178-I181 WeakPolarHBondContact O-CB 3.45Å; I178-I181 PolarHBondContact O-N 3.24Å; I178-G182 PolarHBondContact O-N 2.8Å; I178-Y183 HydrophobicContact CB-CD2 4.03Å; I178-Y183 HydrophobicContact CB-CG 4.45Å; I178-Y183 PolarHBondContact O-N 2.82Å; I178-P185 HydrophobicContact CD1-CB 4.48Å; I178-P185 HydrophobicContact CG1-CG 4.22Å; I178-V188 HydrophobicContact CD1-CB 4.22Å; I178-V188 HydrophobicContact CD1-CG1 4.12Å; I178-V188 HydrophobicContact CD1-CG2 4.04Å; I178-F190 HydrophobicContact CD1-CE2 4.42Å; I178-F190 HydrophobicContact CD1-CZ 3.81Å
179	K	94	Very high	94.1	Very high	146 Å²	146	52.6 Å²	52.6	64%	0.635	27%	0.269	S	S	*	.	H	α-helix	trans	-62	-37.8	170.7	-170.1	171.6	-177.1	170.5	0	112.9	S175 Y177 I181 G182 Y183 P185	S175-K179 VanDerWaalsContact O-CB 3.25Å; S175-K179 WeakPolarHBondContact O-CB 3.41Å; S175-K179 PolarHBondContact O-N 3.25Å; S175-K179 VanDerWaalsContact O-N 3.12Å; Y177-K179 PolarHBondContact O-N 3.41Å; K179-I181 VanDerWaalsContact C-N 3.34Å; K179-G182 PolarHBondContact O-N 2.77Å; K179-Y183 WeakPolarHBondContact CA-O 3.41Å; K179-P185 HydrophobicContact CB-CG 3.8Å; K179-P185 HydrophobicContact CD-CG 4.32Å; K179-P185 HydrophobicContact CG-CG 4.34Å
180	K	89.1	Confident	94.2	Very high	154 Å²	154	49.6 Å²	49.6	67%	0.67	26%	0.255	S	S	*	.	H	α-helix	trans	-70.1	-30.2	175.8	-71.4	175.5	-177.5	179.6	0	112.6	T176 Y177 I178	T176-K180 WeakPolarHBondContact O-CG 3.36Å; T176-K180 PolarHBondContact O-N 2.73Å; Y177-K180 WeakPolarHBondContact O-CA 3.4Å; Y177-K180 WeakPolarHBondContact O-CB 3.37Å; Y177-K180 PolarHBondContact O-N 3.23Å; I178-K180 VanDerWaalsContact C-N 3.34Å; I178-K180 PolarHBondContact O-N 3.27Å
181	I	87.9	Confident	94.3	Very high	19 Å²	19	49.6 Å²	49.6	10%	0.097	26%	0.255	C	S	.	.	H	α-helix	trans	-69.1	-45.1	174.4	-67.6	166.7	0	0	0	110.4	A137 L138 Y141 Y177 I178 K179 Y183	A137-I181 HydrophobicContact CB-CD1 3.58Å; L138-I181 HydrophobicContact CB-CD1 4.26Å; L138-I181 HydrophobicContact CB-CG1 4.4Å; L138-I181 HydrophobicContact CD1-CG2 4.36Å; Y141-I181 VanDerWaalsContact CB-CG2 3.48Å; Y141-I181 HydrophobicContact CD1-CG2 3.92Å; Y141-I181 HydrophobicContact CD2-CG2 4.36Å; Y141-I181 HydrophobicContact CG-CG2 3.67Å; Y177-I181 HydrophobicContact CD1-CD1 3.81Å; Y177-I181 HydrophobicContact CE1-CD1 3.14Å; Y177-I181 HydrophobicContact CE1-CG1 3.94Å; Y177-I181 PolarHBondContact O-N 3.41Å; I178-I181 WeakPolarHBondContact O-CB 3.45Å; I178-I181 PolarHBondContact O-N 3.24Å; K179-I181 VanDerWaalsContact C-N 3.34Å; I181-Y183 HydrophobicContact CB-CD2 4.31Å; I181-Y183 HydrophobicContact CG2-CD2 4.11Å; I181-Y183 HydrophobicContact CG2-CE2 4.04Å
182	G	89.1	Confident	94.3	Very high	37 Å²	37	48.2 Å²	48.2	38%	0.381	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	139.1	-5.4	-178.6	0	0	0	0	0	114.6	I178 K179	I178-G182 PolarHBondContact O-N 2.8Å; K179-G182 PolarHBondContact O-N 2.77Å
183	Y	94.2	Very high	94.4	Very high	8 Å²	8	40.7 Å²	40.7	3%	0.031	21%	0.213	C	C	.	.			trans	-68.4	148.8	171.1	-64.4	-78.4	0	0	0	110.6	A137 Y141 V145 L148 I178 K179 I181 P185	A137-Y183 PolarHBondContact O-OH 2.96Å; Y141-Y183 WeakPolarHBondContact CA-OH 3.18Å; Y141-Y183 HydrophobicContact CD2-CD1 4.02Å; Y141-Y183 HydrophobicContact CD2-CD2 4.12Å; Y141-Y183 AromaticContact CD2-CE1 3.81Å; Y141-Y183 HydrophobicContact CD2-CE1 3.81Å; Y141-Y183 AromaticContact CD2-CE2 3.93Å; Y141-Y183 HydrophobicContact CD2-CE2 3.93Å; Y141-Y183 HydrophobicContact CD2-CG 4.18Å; Y141-Y183 AromaticContact CD2-CZ 3.77Å; Y141-Y183 HydrophobicContact CG-CE2 4.21Å; Y141-Y183 PolarHBondContact N-OH 2.78Å; Y141-Y183 VanDerWaalsContact N-OH 3.14Å; V145-Y183 WeakPolarHBondContact O-CE1 3.24Å; V145-Y183 PolarHBondContact O-OH 3.08Å; L148-Y183 HydrophobicContact CB-CD1 3.92Å; L148-Y183 HydrophobicContact CB-CE1 3.77Å; L148-Y183 HydrophobicContact CD2-CD1 4.39Å; L148-Y183 HydrophobicContact CD2-CD2 4.03Å; L148-Y183 HydrophobicContact CD2-CE1 4.45Å; L148-Y183 HydrophobicContact CD2-CE2 4.08Å; L148-Y183 HydrophobicContact CD2-CG 4.18Å; I178-Y183 HydrophobicContact CB-CD2 4.03Å; I178-Y183 HydrophobicContact CB-CG 4.45Å; I178-Y183 PolarHBondContact O-N 2.82Å; K179-Y183 WeakPolarHBondContact CA-O 3.41Å; I181-Y183 HydrophobicContact CB-CD2 4.31Å; I181-Y183 HydrophobicContact CG2-CD2 4.11Å; I181-Y183 HydrophobicContact CG2-CE2 4.04Å; Y183-P185 WeakPolarHBondContact O-CD 3.12Å
184	N	93.9	Very high	94.4	Very high	76 Å²	76	36.9 Å²	36.9	41%	0.406	20%	0.195	S	C	.	.			trans	-90.4	113.8	168.2	-177.5	7.2	0	0	0	109.4	D186 T187	N184-D186 PolarHBondContact O-N 3.01Å; N184-D186 VanDerWaalsContact O-N 3.15Å; N184-D186 PolarHBondContact OD1-N 3.31Å; N184-T187 HydrophobicContact CB-CG2 3.88Å; N184-T187 PolarHBondContact O-N 2.87Å; N184-T187 PolarHBondContact O-OG1 3.13Å
185	P	95.2	Very high	94.1	Very high	21 Å²	21	36.7 Å²	36.7	14%	0.136	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-55.1	-31.9	179.2	-26.1	35.9	0	0	0	113.9	S175 I178 K179 Y183 T187 V188	S175-P185 WeakPolarHBondContact O-CG 2.83Å; I178-P185 HydrophobicContact CD1-CB 4.48Å; I178-P185 HydrophobicContact CG1-CG 4.22Å; K179-P185 HydrophobicContact CB-CG 3.8Å; K179-P185 HydrophobicContact CD-CG 4.32Å; K179-P185 HydrophobicContact CG-CG 4.34Å; Y183-P185 WeakPolarHBondContact O-CD 3.12Å; P185-T187 PolarHBondContact O-N 3.31Å; P185-T187 VanDerWaalsContact O-N 3.16Å; P185-V188 PolarHBondContact O-N 2.77Å; P185-V188 VanDerWaalsContact O-N 3.08Å
186	D	94.1	Very high	93.8	Very high	104 Å²	104	40.1 Å²	40.1	56%	0.556	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-66.3	-18.5	178.7	-57.1	-30.1	0	0	0	112.6	N184 T217	N184-D186 PolarHBondContact O-N 3.01Å; N184-D186 VanDerWaalsContact O-N 3.15Å; N184-D186 PolarHBondContact OD1-N 3.31Å; D186-T217 PolarHBondContact O-N 2.9Å
187	T	94.2	Very high	93.6	Very high	47 Å²	47	40.8 Å²	40.8	29%	0.288	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-95	1.3	178.7	67	0	0	0	0	113.3	N184 P185 T217 R218	N184-T187 HydrophobicContact CB-CG2 3.88Å; N184-T187 PolarHBondContact O-N 2.87Å; N184-T187 PolarHBondContact O-OG1 3.13Å; P185-T187 PolarHBondContact O-N 3.31Å; P185-T187 VanDerWaalsContact O-N 3.16Å; T187-T217 WeakPolarHBondContact CG2-O 3.45Å; T187-R218 HydrophobicContact CG2-CB 3.99Å
188	V	96.1	Very high	93.5	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.024	21%	0.206	C	C	.	.			trans	-112.1	124.3	-171.9	174.5	0	0	0	0	109.7	L148 V150 I178 P185 F190	L148-V188 HydrophobicContact CB-CG2 4.06Å; L148-V188 HydrophobicContact CD2-CG1 4.47Å; L148-V188 HydrophobicContact CD2-CG2 4.47Å; L148-V188 HydrophobicContact CG-CG1 4.43Å; L148-V188 WeakPolarHBondContact O-CG1 3.48Å; V150-V188 HydrophobicContact CB-CG1 4.42Å; V150-V188 HydrophobicContact CG2-CG1 3.7Å; I178-V188 HydrophobicContact CD1-CB 4.22Å; I178-V188 HydrophobicContact CD1-CG1 4.12Å; I178-V188 HydrophobicContact CD1-CG2 4.04Å; P185-V188 PolarHBondContact O-N 2.77Å; P185-V188 VanDerWaalsContact O-N 3.08Å; V188-F190 HydrophobicContact CB-CE2 4.12Å; V188-F190 HydrophobicContact CG1-CD2 4.24Å; V188-F190 HydrophobicContact CG1-CE2 3.82Å; V188-F190 HydrophobicContact CG1-CZ 4.13Å; V188-F190 WeakPolarHBondContact O-CD2 3.27Å
189	A	96.7	Very high	93.5	Very high	4 Å²	4	40.3 Å²	40.3	3%	0.033	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	125.5	172.4	0	0	0	0	0	109.6	I149 V150 V191 W214 V216 A231	I149-A189 HydrophobicContact CG2-CB 4.47Å; V150-A189 PolarHBondContact N-O 3.13Å; A189-V191 HydrophobicContact CB-CG2 4.4Å; A189-W214 HydrophobicContact CB-CB 4.27Å; A189-W214 HydrophobicContact CB-CD2 3.71Å; A189-W214 HydrophobicContact CB-CE3 3.69Å; A189-W214 HydrophobicContact CB-CG 3.96Å; A189-W214 HydrophobicContact CB-CZ3 4.36Å; A189-V216 HydrophobicContact CB-CG2 3.9Å; A189-A231 HydrophobicContact CB-CB 3.99Å
190	F	97.7	Very high	93.6	Very high	16 Å²	16	33.5 Å²	33.5	7%	0.07	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	117.1	169.3	-69.8	-96.2	0	0	0	108.3	V150 Y167 V171 V174 S175 I178 V188 W214	V150-F190 HydrophobicContact CB-CD1 3.63Å; V150-F190 HydrophobicContact CB-CE1 3.83Å; V150-F190 HydrophobicContact CB-CG 4.28Å; V150-F190 HydrophobicContact CG1-CD1 3.67Å; V150-F190 HydrophobicContact CG1-CE1 3.86Å; V150-F190 HydrophobicContact CG2-CD1 4.16Å; V150-F190 HydrophobicContact CG2-CE1 3.83Å; V150-F190 HydrophobicContact CG2-CZ 4.26Å; V150-F190 CarbonylContact O-C 2.93Å; V150-F190 WeakPolarHBondContact O-CA 3.43Å; Y167-F190 WeakPolarHBondContact OH-CB 3.44Å; Y167-F190 PolarHBondContact OH-O 3.25Å; V171-F190 HydrophobicContact CB-CD1 4.29Å; V171-F190 HydrophobicContact CG1-CD1 4.13Å; V171-F190 HydrophobicContact CG1-CD2 4.25Å; V171-F190 HydrophobicContact CG1-CE1 4.38Å; V171-F190 HydrophobicContact CG1-CG 4.06Å; V171-F190 HydrophobicContact CG2-CB 3.93Å; V171-F190 HydrophobicContact CG2-CD1 3.83Å; V171-F190 HydrophobicContact CG2-CG 4.01Å; V174-F190 HydrophobicContact CB-CE1 4.01Å; V174-F190 HydrophobicContact CG1-CE1 3.79Å; V174-F190 HydrophobicContact CG1-CZ 4.36Å; S175-F190 WeakPolarHBondContact OG-CE2 3.34Å; S175-F190 WeakPolarHBondContact OG-CZ 3.42Å; I178-F190 HydrophobicContact CD1-CE2 4.42Å; I178-F190 HydrophobicContact CD1-CZ 3.81Å; V188-F190 HydrophobicContact CB-CE2 4.12Å; V188-F190 HydrophobicContact CG1-CD2 4.24Å; V188-F190 HydrophobicContact CG1-CE2 3.82Å; V188-F190 HydrophobicContact CG1-CZ 4.13Å; V188-F190 WeakPolarHBondContact O-CD2 3.27Å; F190-W214 WeakPolarHBondContact O-CB 3.41Å
191	V	97.7	Very high	93.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	113.9	-175.2	-164	0	0	0	0	108.8	V150 G151 V152 A189 I193 N200 W214 A231	V150-V191 PolarHBondContact O-N 3.34Å; G151-V191 CarbonylContact C-O 3.48Å; G151-V191 WeakPolarHBondContact CA-O 3.33Å; V152-V191 PolarHBondContact N-O 3.46Å; A189-V191 HydrophobicContact CB-CG2 4.4Å; V191-I193 HydrophobicContact CB-CG2 4.18Å; V191-I193 HydrophobicContact CG1-CG2 3.7Å; V191-I193 PolarHBondContact O-N 2.82Å; V191-N200 HydrophobicContact CG1-CB 4.33Å; V191-W214 HydrophobicContact CG2-CG 4.21Å; V191-A231 HydrophobicContact CG2-CB 4.05Å
192	P	97.7	Very high	93.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	122.5	170.3	28.3	-27.2	0	0	0	108.9	V152 M155 Y167 N200 M208 W210 F211	V152-P192 CarbonylContact O-C 3.34Å; V152-P192 WeakPolarHBondContact O-CA 3.39Å; M155-P192 HydrophobicContact CG-CB 3.86Å; M155-P192 HydrophobicContact SD-CB 4.23Å; Y167-P192 HydrophobicContact CD2-CB 3.63Å; Y167-P192 HydrophobicContact CD2-CG 4.15Å; Y167-P192 HydrophobicContact CE2-CB 3.7Å; Y167-P192 HydrophobicContact CE2-CG 3.85Å; Y167-P192 HydrophobicContact CG-CB 4.35Å; P192-N200 WeakPolarHBondContact O-CB 3.33Å; P192-N200 PolarHBondContact O-ND2 2.79Å; P192-M208 HydrophobicContact CB-SD 3.71Å; P192-M208 HydrophobicContact CG-SD 4.04Å; P192-W210 HydrophobicContact CB-CH2 4.2Å; P192-W210 HydrophobicContact CG-CH2 4.16Å; P192-W210 HydrophobicContact CG-CZ3 4.48Å; P192-F211 HydrophobicContact CG-CB 4.2Å; P192-F211 HydrophobicContact CG-CD1 3.74Å; P192-F211 HydrophobicContact CG-CD2 3.55Å; P192-F211 HydrophobicContact CG-CE1 3.93Å; P192-F211 HydrophobicContact CG-CE2 3.77Å; P192-F211 HydrophobicContact CG-CG 3.54Å; P192-F211 HydrophobicContact CG-CZ 3.95Å
193	I	97	Very high	94	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.			trans	-133.6	158.6	-175.4	64.4	177.6	0	0	0	111.4	T23 I115 V152 N153 K154 M155 V191 D199 N200 M201 L228	T23-I193 HydrophobicContact CG2-CD1 3.76Å; I115-I193 HydrophobicContact CD1-CD1 4.29Å; V152-I193 PolarHBondContact O-N 3.37Å; N153-I193 CarbonylContact C-O 3.48Å; N153-I193 WeakPolarHBondContact CA-O 3.13Å; N153-I193 HydrophobicContact CB-CD1 4.3Å; N153-I193 HydrophobicContact CB-CG1 4.02Å; K154-I193 PolarHBondContact N-O 2.82Å; M155-I193 PolarHBondContact N-O 2.89Å; V191-I193 HydrophobicContact CB-CG2 4.18Å; V191-I193 HydrophobicContact CG1-CG2 3.7Å; V191-I193 PolarHBondContact O-N 2.82Å; I193-D199 VanDerWaalsContact CA-O 3.3Å; I193-D199 WeakPolarHBondContact CA-O 3.01Å; I193-N200 HydrophobicContact CG2-CB 4.16Å; I193-M201 HydrophobicContact CB-SD 4.2Å; I193-M201 HydrophobicContact CD1-SD 3.95Å; I193-M201 HydrophobicContact CG2-SD 4.31Å; I193-L228 HydrophobicContact CD1-CD2 4.15Å; I193-L228 HydrophobicContact CG2-CB 4.31Å
194	S	94.8	Very high	93.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.195	C	C	.	.			trans	-116.8	105.8	155.3	-178.5	0	0	0	0	108.2	D156 W196 N197 G198 D199	D156-S194 VanDerWaalsContact OD1-CB 3.24Å; D156-S194 WeakPolarHBondContact OD1-CB 3.03Å; D156-S194 PolarHBondContact OD1-OG 3.43Å; S194-W196 PolarHBondContact O-N 3.42Å; S194-N197 PolarHBondContact OG-N 2.91Å; S194-N197 VanDerWaalsContact OG-N 3.17Å; S194-N197 PolarHBondContact OG-ND2 3.45Å; S194-G198 WeakPolarHBondContact O-CA 3.3Å; S194-G198 PolarHBondContact O-N 3.44Å; S194-D199 WeakPolarHBondContact CB-OD2 3.43Å; S194-D199 PolarHBondContact N-O 3.28Å; S194-D199 PolarHBondContact O-N 3.06Å
195	G	90.1	Very high	93.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.6	175.9	0	0	0	0	0	112.7	H26 N153	H26-G195 PolarHBondContact ND1-O 3.07Å; N153-G195 PolarHBondContact OD1-N 2.81Å
196	W	88.7	Confident	93.7	Very high	94 Å²	94	37.9 Å²	37.9	36%	0.356	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-53.6	176.4	-177.7	-113.6	0	0	0	112.1	T22 H26 S53 K55 Y56 S194	T22-W196 HydrophobicContact CG2-CE3 3.95Å; H26-W196 PolarHBondContact CE1-O 3.12Å; H26-W196 PolarHBondContact ND1-O 3Å; S53-W196 WeakPolarHBondContact O-CZ3 3.18Å; K55-W196 HydrophobicContact CD-CH2 4.2Å; K55-W196 HydrophobicContact CG-CH2 4.06Å; K55-W196 HydrophobicContact CG-CZ3 3.99Å; Y56-W196 AromaticContact CD2-CE3 3.98Å; Y56-W196 HydrophobicContact CD2-CE3 3.98Å; Y56-W196 AromaticContact CD2-CZ3 3.95Å; Y56-W196 HydrophobicContact CD2-CZ3 3.95Å; Y56-W196 HydrophobicContact CE2-CE3 4.17Å; Y56-W196 HydrophobicContact CE2-CZ3 4.18Å; S194-W196 PolarHBondContact O-N 3.42Å
197	N	90.9	Very high	93.7	Very high	85 Å²	85	36.5 Å²	36.5	46%	0.455	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-21	-175.5	-64.4	-32.9	0	0	0	113.3	D156 Y162 S194 D199	D156-N197 WeakPolarHBondContact CB-ND2 3.4Å; Y162-N197 PolarHBondContact OH-ND2 2.72Å; S194-N197 PolarHBondContact OG-N 2.91Å; S194-N197 VanDerWaalsContact OG-N 3.17Å; S194-N197 PolarHBondContact OG-ND2 3.45Å; N197-D199 WeakPolarHBondContact CB-OD2 3.39Å
198	G	90.7	Very high	93.7	Very high	18 Å²	18	34.5 Å²	34.5	19%	0.186	19%	0.191	C	C	.	.			trans	93.8	5	-179.5	0	0	0	0	0	114.7	H26 S194 N200 M201	H26-G198 VanDerWaalsContact CE1-CA 3.45Å; H26-G198 WeakPolarHBondContact CE1-CA 3.26Å; S194-G198 WeakPolarHBondContact O-CA 3.3Å; S194-G198 PolarHBondContact O-N 3.44Å; G198-N200 PolarHBondContact O-N 2.88Å; G198-M201 WeakPolarHBondContact O-CB 3.23Å; G198-M201 PolarHBondContact O-N 2.81Å
199	D	94.4	Very high	93.5	Very high	14 Å²	14	38.8 Å²	38.8	8%	0.075	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-57.8	128.1	-179.8	-64	-83.1	0	0	0	112.2	Y162 I193 S194 N197 M201 S205 N207 M208	Y162-D199 HydrophobicContact CE1-CB 4.39Å; Y162-D199 PolarHBondContact OH-OD2 3.02Å; Y162-D199 VanDerWaalsContact OH-OD2 3.1Å; I193-D199 VanDerWaalsContact CA-O 3.3Å; I193-D199 WeakPolarHBondContact CA-O 3.01Å; S194-D199 WeakPolarHBondContact CB-OD2 3.43Å; S194-D199 PolarHBondContact N-O 3.28Å; S194-D199 PolarHBondContact O-N 3.06Å; N197-D199 WeakPolarHBondContact CB-OD2 3.39Å; D199-M201 PolarHBondContact O-N 2.87Å; D199-M201 VanDerWaalsContact O-N 3.07Å; D199-S205 VanDerWaalsContact OD1-CB 3.29Å; D199-S205 WeakPolarHBondContact OD1-CB 3.34Å; D199-S205 PolarHBondContact OD1-OG 3.17Å; D199-N207 PolarHBondContact OD1-ND2 2.77Å; D199-M208 HydrophobicContact CB-CE 3.66Å
200	N	94.9	Very high	93.5	Very high	2 Å²	2	41 Å²	41	1%	0.011	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	19	-178.7	-66.1	-22.1	0	0	0	114.3	V191 P192 I193 G198 E203 S205 M208 T227 L228	V191-N200 HydrophobicContact CG1-CB 4.33Å; P192-N200 WeakPolarHBondContact O-CB 3.33Å; P192-N200 PolarHBondContact O-ND2 2.79Å; I193-N200 HydrophobicContact CG2-CB 4.16Å; G198-N200 PolarHBondContact O-N 2.88Å; N200-E203 VanDerWaalsContact CA-O 3.25Å; N200-E203 WeakPolarHBondContact CA-O 3.48Å; N200-E203 PolarHBondContact N-O 2.81Å; N200-S205 WeakPolarHBondContact OD1-CB 3.39Å; N200-S205 PolarHBondContact OD1-N 2.83Å; N200-M208 WeakPolarHBondContact ND2-CE 3.49Å; N200-T227 CarbonylContact O-C 3.52Å; N200-T227 WeakPolarHBondContact O-CA 2.9Å; N200-L228 PolarHBondContact O-N 3.23Å
201	M	92.2	Very high	93.4	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-65.6	177.9	-72.9	-68.2	-68.3	0	0	111.1	T23 L27 I193 G198 D199 L228 L229	T23-M201 HydrophobicContact CG2-CE 3.57Å; T23-M201 HydrophobicContact CG2-SD 3.81Å; T23-M201 VanDerWaalsContact O-CE 3.26Å; T23-M201 WeakPolarHBondContact O-CE 3.46Å; L27-M201 HydrophobicContact CB-CE 3.93Å; L27-M201 HydrophobicContact CD1-CE 4.41Å; I193-M201 HydrophobicContact CB-SD 4.2Å; I193-M201 HydrophobicContact CD1-SD 3.95Å; I193-M201 HydrophobicContact CG2-SD 4.31Å; G198-M201 WeakPolarHBondContact O-CB 3.23Å; G198-M201 PolarHBondContact O-N 2.81Å; D199-M201 PolarHBondContact O-N 2.87Å; D199-M201 VanDerWaalsContact O-N 3.07Å; M201-L228 HydrophobicContact CE-CD2 3.99Å; M201-L228 PolarHBondContact O-N 3.13Å; M201-L228 HydrophobicContact SD-CB 4.47Å; M201-L228 HydrophobicContact SD-CD2 3.75Å; M201-L229 PolarHBondContact O-N 2.9Å
202	L	90.9	Very high	93.2	Very high	45 Å²	45	49.9 Å²	49.9	24%	0.236	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-27.2	174.7	-74.8	78.9	0	0	0	112.2	L27 K30 L229	L27-L202 HydrophobicContact CD1-CD1 3.87Å; K30-L202 HydrophobicContact CB-CD1 3.41Å; K30-L202 VanDerWaalsContact CB-CD1 3.41Å; K30-L202 HydrophobicContact CB-CD2 3.64Å; K30-L202 HydrophobicContact CB-CG 4.15Å; K30-L202 HydrophobicContact CG-CD1 4.08Å; L202-L229 HydrophobicContact CB-CD2 4.45Å; L202-L229 HydrophobicContact CD2-CD2 4.21Å; L202-L229 HydrophobicContact CG-CB 4.4Å; L202-L229 HydrophobicContact CG-CD2 4Å
203	E	92.1	Very high	93	Very high	145 Å²	145	51 Å²	51	68%	0.678	28%	0.277	S	S	*	.	B	Isolated β-bridge	trans	-124.6	144.2	-177.5	-67.7	172.5	-178.1	0	0	109.2	N200 S205	N200-E203 VanDerWaalsContact CA-O 3.25Å; N200-E203 WeakPolarHBondContact CA-O 3.48Å; N200-E203 PolarHBondContact N-O 2.81Å; E203-S205 PolarHBondContact O-N 2.68Å
204	P	92.7	Very high	92.9	Very high	88 Å²	88	51.5 Å²	51.5	57%	0.571	28%	0.279	S	S	*	.			trans	-57.8	135.7	172.9	-24.7	35	0	0	0	111.7	T226 T227	P204-T226 HydrophobicContact CB-CG2 3.99Å; P204-T226 HydrophobicContact CG-CG2 4.24Å; P204-T227 HydrophobicContact CG-CG2 4.22Å
205	S	92.5	Very high	92.8	Very high	18 Å²	18	58.5 Å²	58.5	13%	0.126	31%	0.31	C	S	.	.			trans	-80.3	137.6	177.3	174.4	0	0	0	0	112.1	D199 N200 E203 N207	D199-S205 VanDerWaalsContact OD1-CB 3.29Å; D199-S205 WeakPolarHBondContact OD1-CB 3.34Å; D199-S205 PolarHBondContact OD1-OG 3.17Å; N200-S205 WeakPolarHBondContact OD1-CB 3.39Å; N200-S205 PolarHBondContact OD1-N 2.83Å; E203-S205 PolarHBondContact O-N 2.68Å; S205-N207 VanDerWaalsContact C-N 3.26Å; S205-N207 WeakPolarHBondContact OG-CB 3.49Å; S205-N207 PolarHBondContact OG-N 2.87Å
206	S	92.4	Very high	93	Very high	110 Å²	110	58.7 Å²	58.7	77%	0.769	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-16.4	167	55.9	0	0	0	0	113.4	M208	S206-M208 VanDerWaalsContact C-N 3.32Å
207	N	94	Very high	93.1	Very high	75 Å²	75	57.3 Å²	57.3	40%	0.401	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-14	-177.3	-61.1	-42.4	0	0	0	113	Y162 D199 S205 P209	Y162-N207 WeakPolarHBondContact CB-O 3.07Å; Y162-N207 HydrophobicContact CD1-CB 3.91Å; Y162-N207 HydrophobicContact CD2-CB 3.73Å; Y162-N207 HydrophobicContact CE1-CB 3.84Å; Y162-N207 HydrophobicContact CE2-CB 3.65Å; Y162-N207 HydrophobicContact CG-CB 3.85Å; Y162-N207 PolarHBondContact OH-ND2 2.98Å; D199-N207 PolarHBondContact OD1-ND2 2.77Å; S205-N207 VanDerWaalsContact C-N 3.26Å; S205-N207 WeakPolarHBondContact OG-CB 3.49Å; S205-N207 PolarHBondContact OG-N 2.87Å; N207-P209 WeakPolarHBondContact O-CD 3.38Å
208	M	93.3	Very high	93	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.02	30%	0.299	C	S	.	.			trans	-123.9	59	-178.3	-70.5	177.7	-81	0	0	112.4	M155 Y162 P192 D199 N200 S206 W210 F211	M155-M208 HydrophobicContact CB-SD 4.13Å; M155-M208 HydrophobicContact CG-SD 4.18Å; Y162-M208 HydrophobicContact CD1-CE 3.96Å; Y162-M208 HydrophobicContact CD1-CG 3.66Å; Y162-M208 HydrophobicContact CD1-SD 3.88Å; Y162-M208 HydrophobicContact CE1-CE 4.24Å; Y162-M208 HydrophobicContact CG-CG 4.06Å; P192-M208 HydrophobicContact CB-SD 3.71Å; P192-M208 HydrophobicContact CG-SD 4.04Å; D199-M208 HydrophobicContact CB-CE 3.66Å; N200-M208 WeakPolarHBondContact ND2-CE 3.49Å; S206-M208 VanDerWaalsContact C-N 3.32Å; M208-W210 HydrophobicContact CB-CZ2 4.16Å; M208-W210 HydrophobicContact CG-CZ2 3.75Å; M208-W210 PolarHBondContact O-N 3.12Å; M208-W210 VanDerWaalsContact O-N 3.1Å; M208-W210 HydrophobicContact SD-CH2 4.31Å; M208-W210 HydrophobicContact SD-CZ2 4Å; M208-F211 HydrophobicContact CB-CB 4.19Å; M208-F211 PolarHBondContact O-N 2.94Å
209	P	92.7	Very high	92.6	Very high	94 Å²	94	64.7 Å²	64.7	61%	0.61	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.7	-177.4	28.2	-36.1	0	0	0	113.6	N207 F211 K212	N207-P209 WeakPolarHBondContact O-CD 3.38Å; P209-F211 VanDerWaalsContact C-N 3.33Å; P209-K212 PolarHBondContact O-NZ 2.74Å
210	W	95.2	Very high	92	Very high	51 Å²	51	70 Å²	70	19%	0.193	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-24.8	174.3	53.5	-102.7	0	0	0	112.7	M155 Y162 Q164 Y167 P192 M208 K212	M155-W210 HydrophobicContact CE-CH2 4.12Å; M155-W210 HydrophobicContact CE-CZ2 3.96Å; Y162-W210 WeakPolarHBondContact O-CZ2 3.44Å; Y162-W210 PolarHBondContact O-NE1 3.04Å; Q164-W210 HydrophobicContact CB-CB 4.47Å; Q164-W210 HydrophobicContact CB-CD2 3.57Å; Q164-W210 HydrophobicContact CB-CE3 3.85Å; Q164-W210 HydrophobicContact CB-CG 3.84Å; Q164-W210 HydrophobicContact CB-CZ2 4.32Å; Q164-W210 HydrophobicContact CB-CZ3 4.36Å; Q164-W210 HydrophobicContact CG-CB 4.48Å; Q164-W210 HydrophobicContact CG-CD2 3.86Å; Q164-W210 HydrophobicContact CG-CE3 3.66Å; Q164-W210 HydrophobicContact CG-CG 4.22Å; Q164-W210 HydrophobicContact CG-CZ3 4.22Å; Y167-W210 AromaticContact CD1-CH2 3.89Å; Y167-W210 HydrophobicContact CD1-CH2 3.89Å; Y167-W210 AromaticContact CD1-CZ3 3.58Å; Y167-W210 HydrophobicContact CD1-CZ3 3.58Å; Y167-W210 HydrophobicContact CE1-CZ3 4.16Å; Y167-W210 AromaticContact CG-CH2 3.78Å; Y167-W210 HydrophobicContact CG-CH2 3.78Å; Y167-W210 AromaticContact CG-CZ3 3.98Å; Y167-W210 HydrophobicContact CG-CZ3 3.98Å; P192-W210 HydrophobicContact CB-CH2 4.2Å; P192-W210 HydrophobicContact CG-CH2 4.16Å; P192-W210 HydrophobicContact CG-CZ3 4.48Å; M208-W210 HydrophobicContact CB-CZ2 4.16Å; M208-W210 HydrophobicContact CG-CZ2 3.75Å; M208-W210 PolarHBondContact O-N 3.12Å; M208-W210 VanDerWaalsContact O-N 3.1Å; M208-W210 HydrophobicContact SD-CH2 4.31Å; M208-W210 HydrophobicContact SD-CZ2 4Å; W210-K212 PolarHBondContact O-N 3.28Å
211	F	95.8	Very high	91.4	Very high	22 Å²	22	71.6 Å²	71.6	10%	0.096	38%	0.379	C	S	.	.			trans	-79.1	109.7	-179.8	-175.6	-116.5	0	0	0	110	Y167 P192 M208 P209 G213 W214 T226	Y167-F211 HydrophobicContact CE1-CD2 4.26Å; Y167-F211 HydrophobicContact CE1-CE2 4.26Å; P192-F211 HydrophobicContact CG-CB 4.2Å; P192-F211 HydrophobicContact CG-CD1 3.74Å; P192-F211 HydrophobicContact CG-CD2 3.55Å; P192-F211 HydrophobicContact CG-CE1 3.93Å; P192-F211 HydrophobicContact CG-CE2 3.77Å; P192-F211 HydrophobicContact CG-CG 3.54Å; P192-F211 HydrophobicContact CG-CZ 3.95Å; M208-F211 HydrophobicContact CB-CB 4.19Å; M208-F211 PolarHBondContact O-N 2.94Å; P209-F211 VanDerWaalsContact C-N 3.33Å; F211-G213 VanDerWaalsContact C-N 3.27Å; F211-G213 VanDerWaalsContact CZ-C 3.43Å; F211-G213 PolarHBondContact O-N 2.8Å; F211-W214 HydrophobicContact CZ-CB 4.24Å; F211-T226 HydrophobicContact CD1-CG2 4.04Å; F211-T226 HydrophobicContact CE1-CG2 4.09Å; F211-T226 WeakPolarHBondContact CE1-O 3.3Å
212	K	93.4	Very high	91.2	Very high	180 Å²	180	76.3 Å²	76.3	78%	0.783	41%	0.405	S	S	*	.			trans	-90.5	15	-178.2	-56.8	-52.1	-176.3	-167	0	113.9	P209 W210	P209-K212 PolarHBondContact O-NZ 2.74Å; W210-K212 PolarHBondContact O-N 3.28Å
213	G	93.3	Very high	91.3	Very high	24 Å²	24	75.5 Å²	75.5	25%	0.247	41%	0.405	C	S	.	.			trans	92.7	164.3	-174.6	0	0	0	0	0	113.6	F211 G225	F211-G213 VanDerWaalsContact C-N 3.27Å; F211-G213 VanDerWaalsContact CZ-C 3.43Å; F211-G213 PolarHBondContact O-N 2.8Å; G213-G225 CarbonylContact C-O 3.52Å; G213-G225 WeakPolarHBondContact CA-O 3.44Å
214	W	95.2	Very high	91.3	Very high	11 Å²	11	73.1 Å²	73.1	4%	0.042	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	156.1	174.1	53.1	-97.5	0	0	0	110.2	A189 F190 V191 F211 V216 A223 S224 G225 T227 E230 A231 C234	A189-W214 HydrophobicContact CB-CB 4.27Å; A189-W214 HydrophobicContact CB-CD2 3.71Å; A189-W214 HydrophobicContact CB-CE3 3.69Å; A189-W214 HydrophobicContact CB-CG 3.96Å; A189-W214 HydrophobicContact CB-CZ3 4.36Å; F190-W214 WeakPolarHBondContact O-CB 3.41Å; V191-W214 HydrophobicContact CG2-CG 4.21Å; F211-W214 HydrophobicContact CZ-CB 4.24Å; W214-V216 HydrophobicContact CE3-CG2 3.98Å; W214-V216 HydrophobicContact CZ3-CB 4.5Å; W214-V216 HydrophobicContact CZ3-CG2 4.06Å; W214-A223 HydrophobicContact CZ3-CB 4.31Å; W214-S224 WeakPolarHBondContact O-CA 3.28Å; W214-S224 WeakPolarHBondContact O-CB 3.39Å; W214-G225 VanDerWaalsContact CD1-O 3.31Å; W214-G225 VanDerWaalsContact CZ2-CA 3.49Å; W214-G225 PolarHBondContact N-O 3.39Å; W214-G225 PolarHBondContact NE1-O 2.93Å; W214-G225 PolarHBondContact O-N 2.97Å; W214-G225 VanDerWaalsContact O-N 3.14Å; W214-T227 PolarHBondContact NE1-O 3.18Å; W214-E230 VanDerWaalsContact CZ2-C 3.43Å; W214-E230 HydrophobicContact CZ2-CB 3.74Å; W214-A231 HydrophobicContact CH2-CB 4.42Å; W214-A231 HydrophobicContact CZ2-CB 3.79Å; W214-C234 HydrophobicContact CH2-CB 3.75Å; W214-C234 HydrophobicContact CZ3-CB 4.22Å
215	K	93.9	Very high	91.4	Very high	147 Å²	147	69.4 Å²	69.4	64%	0.639	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.3	133.2	176.5	-174.8	177.5	178.8	179.1	0	109.9	A223	K215-A223 WeakPolarHBondContact CA-O 3.47Å
216	V	93.6	Very high	91.5	Very high	3 Å²	3	70.4 Å²	70.4	2%	0.018	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	125.6	177.9	167.7	0	0	0	0	108.3	A189 W214 R218 N222 A223	A189-V216 HydrophobicContact CB-CG2 3.9Å; W214-V216 HydrophobicContact CE3-CG2 3.98Å; W214-V216 HydrophobicContact CZ3-CB 4.5Å; W214-V216 HydrophobicContact CZ3-CG2 4.06Å; V216-R218 HydrophobicContact CG1-CG 4.4Å; V216-N222 VanDerWaalsContact O-CA 3.31Å; V216-N222 WeakPolarHBondContact O-CA 3.3Å; V216-A223 PolarHBondContact N-O 2.86Å; V216-A223 PolarHBondContact O-N 2.75Å
217	T	91	Very high	91.7	Very high	65 Å²	65	65.2 Å²	65.2	40%	0.399	35%	0.351	S	S	.	.			trans	-115.5	116.7	178.8	-53.5	0	0	0	0	109.9	D186 T187 N222	D186-T217 PolarHBondContact O-N 2.9Å; T187-T217 WeakPolarHBondContact CG2-O 3.45Å; T217-N222 VanDerWaalsContact CA-OD1 3.27Å; T217-N222 WeakPolarHBondContact CA-OD1 3.45Å
218	R	88.3	Confident	91.7	Very high	47 Å²	47	61.9 Å²	61.9	18%	0.177	33%	0.333	C	S	.	.			trans	-151.2	157.4	-178.1	61.7	-169.6	179.2	-164.8	-0.7	110.8	T187 V216 D220 G221 N222 C234 L236	T187-R218 HydrophobicContact CG2-CB 3.99Å; V216-R218 HydrophobicContact CG1-CG 4.4Å; R218-D220 PolarHBondContact O-N 2.82Å; R218-G221 WeakPolarHBondContact CG-O 3.31Å; R218-G221 PolarHBondContact NE-O 3.46Å; R218-G221 PolarHBondContact O-N 3.31Å; R218-N222 PolarHBondContact N-OD1 2.83Å; R218-N222 PolarHBondContact O-OD1 3.44Å; R218-C234 VanDerWaalsContact CZ-O 3.3Å; R218-C234 PolarHBondContact NH1-O 3.48Å; R218-C234 PolarHBondContact NH2-O 2.94Å; R218-L236 VanDerWaalsContact CZ-CD2 3.45Å; R218-L236 VanDerWaalsContact NH2-CD2 3.32Å
219	K	83.1	Confident	91.7	Very high	211 Å²	211	63 Å²	63	92%	0.917	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-36.5	-179.1	-68	-174.9	176.6	-175.9	0	112.4	G221	K219-G221 VanDerWaalsContact C-N 3.27Å; K219-G221 PolarHBondContact O-N 2.81Å
220	D	82	Confident	91.8	Very high	126 Å²	126	62.6 Å²	62.6	67%	0.674	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	24.3	-174.1	-47.9	-61.3	0	0	0	113.7	R218 L236	R218-D220 PolarHBondContact O-N 2.82Å; D220-L236 HydrophobicContact CB-CD1 3.91Å; D220-L236 HydrophobicContact CB-CD2 4.34Å
221	G	81	Confident	91.8	Very high	35 Å²	35	60.2 Å²	60.2	36%	0.361	32%	0.32	S	S	.	.			trans	114.6	119.4	174.1	0	0	0	0	0	113.5	R218 K219	R218-G221 WeakPolarHBondContact CG-O 3.31Å; R218-G221 PolarHBondContact NE-O 3.46Å; R218-G221 PolarHBondContact O-N 3.31Å; K219-G221 VanDerWaalsContact C-N 3.27Å; K219-G221 PolarHBondContact O-N 2.81Å
222	N	89.8	Confident	91.7	Very high	102 Å²	102	59.3 Å²	59.3	55%	0.545	32%	0.316	S	S	.	.			trans	-72.9	153.2	174.7	-62.1	-19.4	0	0	0	110.8	V216 T217 R218	V216-N222 VanDerWaalsContact O-CA 3.31Å; V216-N222 WeakPolarHBondContact O-CA 3.3Å; T217-N222 VanDerWaalsContact CA-OD1 3.27Å; T217-N222 WeakPolarHBondContact CA-OD1 3.45Å; R218-N222 PolarHBondContact N-OD1 2.83Å; R218-N222 PolarHBondContact O-OD1 3.44Å
223	A	91.3	Very high	91.6	Very high	28 Å²	28	52.1 Å²	52.1	23%	0.231	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	159.2	176.6	0	0	0	0	0	110.7	W214 K215 V216 C234	W214-A223 HydrophobicContact CZ3-CB 4.31Å; K215-A223 WeakPolarHBondContact CA-O 3.47Å; V216-A223 PolarHBondContact N-O 2.86Å; V216-A223 PolarHBondContact O-N 2.75Å; A223-C234 HydrophobicContact CB-CB 4.27Å; A223-C234 WeakPolarHBondContact CB-SG 3.21Å
224	S	93.8	Very high	91.5	Very high	94 Å²	94	51.8 Å²	51.8	66%	0.657	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.7	153.3	172.7	52.6	0	0	0	0	109.3	W214	W214-S224 WeakPolarHBondContact O-CA 3.28Å; W214-S224 WeakPolarHBondContact O-CB 3.39Å
225	G	93.8	Very high	91.3	Very high	11 Å²	11	51.4 Å²	51.4	11%	0.113	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	-176.4	176.8	0	0	0	0	0	110	G213 W214	G213-G225 CarbonylContact C-O 3.52Å; G213-G225 WeakPolarHBondContact CA-O 3.44Å; W214-G225 VanDerWaalsContact CD1-O 3.31Å; W214-G225 VanDerWaalsContact CZ2-CA 3.49Å; W214-G225 PolarHBondContact N-O 3.39Å; W214-G225 PolarHBondContact NE1-O 2.93Å; W214-G225 PolarHBondContact O-N 2.97Å; W214-G225 VanDerWaalsContact O-N 3.14Å
226	T	94.9	Very high	91.1	Very high	38 Å²	38	46.5 Å²	46.5	23%	0.233	26%	0.259	C	S	.	.	S	Bend	trans	-118.5	-27.3	179.8	-53.5	0	0	0	0	112	P204 F211 E230	P204-T226 HydrophobicContact CB-CG2 3.99Å; P204-T226 HydrophobicContact CG-CG2 4.24Å; F211-T226 HydrophobicContact CD1-CG2 4.04Å; F211-T226 HydrophobicContact CE1-CG2 4.09Å; F211-T226 WeakPolarHBondContact CE1-O 3.3Å; T226-E230 PolarHBondContact N-OE2 3.28Å
227	T	96	Very high	90.8	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.012	28%	0.278	C	S	.	.	S	Bend	trans	-105.5	163.8	-170.5	66.8	0	0	0	0	112.5	N200 P204 W214 L229 E230 A231	N200-T227 CarbonylContact O-C 3.52Å; N200-T227 WeakPolarHBondContact O-CA 2.9Å; P204-T227 HydrophobicContact CG-CG2 4.22Å; W214-T227 PolarHBondContact NE1-O 3.18Å; T227-L229 VanDerWaalsContact C-N 3.35Å; T227-E230 PolarHBondContact N-OE2 2.96Å; T227-E230 WeakPolarHBondContact OG1-CB 3.25Å; T227-E230 VanDerWaalsContact OG1-CD 3.31Å; T227-E230 WeakPolarHBondContact OG1-CG 3.39Å; T227-E230 PolarHBondContact OG1-N 3.01Å; T227-E230 VanDerWaalsContact OG1-N 3.17Å; T227-E230 PolarHBondContact OG1-OE2 3.47Å; T227-A231 PolarHBondContact O-N 3.41Å
228	L	94.8	Very high	90.4	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-66	-40.2	172.4	-177.3	62.4	0	0	0	110.4	T23 V113 I149 I193 N200 M201 E230 A231 L232	T23-L228 HydrophobicContact CG2-CD2 4.02Å; V113-L228 HydrophobicContact CG1-CD1 4.44Å; I149-L228 HydrophobicContact CG2-CD1 3.92Å; I193-L228 HydrophobicContact CD1-CD2 4.15Å; I193-L228 HydrophobicContact CG2-CB 4.31Å; N200-L228 PolarHBondContact O-N 3.23Å; M201-L228 HydrophobicContact CE-CD2 3.99Å; M201-L228 PolarHBondContact O-N 3.13Å; M201-L228 HydrophobicContact SD-CB 4.47Å; M201-L228 HydrophobicContact SD-CD2 3.75Å; L228-E230 PolarHBondContact O-N 3.39Å; L228-A231 WeakPolarHBondContact O-CA 3.15Å; L228-A231 WeakPolarHBondContact O-CB 3.37Å; L228-A231 PolarHBondContact O-N 3.29Å; L228-L232 WeakPolarHBondContact O-CG 3.28Å; L228-L232 PolarHBondContact O-N 3.45Å
229	L	93.8	Very high	90.1	Very high	29 Å²	29	52 Å²	52	15%	0.152	30%	0.3	C	S	.	.	H	α-helix	trans	-58.5	-45.6	177.4	-174.3	67.7	0	0	0	111.9	L27 F80 T82 M201 L202 T227 A231 L232 D233	L27-L229 HydrophobicContact CD1-CD1 4.38Å; F80-L229 HydrophobicContact CE2-CD1 4.41Å; T82-L229 HydrophobicContact CG2-CD1 3.7Å; M201-L229 PolarHBondContact O-N 2.9Å; L202-L229 HydrophobicContact CB-CD2 4.45Å; L202-L229 HydrophobicContact CD2-CD2 4.21Å; L202-L229 HydrophobicContact CG-CB 4.4Å; L202-L229 HydrophobicContact CG-CD2 4Å; T227-L229 VanDerWaalsContact C-N 3.35Å; L229-A231 VanDerWaalsContact C-N 3.26Å; L229-A231 PolarHBondContact O-N 2.77Å; L229-L232 WeakPolarHBondContact O-CB 3.41Å; L229-L232 PolarHBondContact O-N 2.79Å; L229-L232 VanDerWaalsContact O-N 3.14Å; L229-D233 PolarHBondContact O-N 2.94Å
230	E	94.4	Very high	90.1	Very high	84 Å²	84	45 Å²	45	39%	0.393	27%	0.268	S	S	.	.	H	α-helix	trans	-63.2	-33.9	175.4	-70.2	165	141	0	0	111.8	W214 T226 T227 L228 L232 D233 C234	W214-E230 VanDerWaalsContact CZ2-C 3.43Å; W214-E230 HydrophobicContact CZ2-CB 3.74Å; T226-E230 PolarHBondContact N-OE2 3.28Å; T227-E230 PolarHBondContact N-OE2 2.96Å; T227-E230 WeakPolarHBondContact OG1-CB 3.25Å; T227-E230 VanDerWaalsContact OG1-CD 3.31Å; T227-E230 WeakPolarHBondContact OG1-CG 3.39Å; T227-E230 PolarHBondContact OG1-N 3.01Å; T227-E230 VanDerWaalsContact OG1-N 3.17Å; T227-E230 PolarHBondContact OG1-OE2 3.47Å; L228-E230 PolarHBondContact O-N 3.39Å; E230-L232 VanDerWaalsContact C-N 3.31Å; E230-D233 PolarHBondContact O-N 3.32Å; E230-C234 WeakPolarHBondContact O-CB 3.47Å; E230-C234 PolarHBondContact O-N 3.41Å
231	A	94.3	Very high	90.2	Very high	2 Å²	2	40.6 Å²	40.6	2%	0.017	25%	0.246	C	C	.	.	H	α-helix	trans	-66.5	-36.8	176.1	0	0	0	0	0	111	I149 A189 V191 W214 T227 L228 L229 C234	I149-A231 HydrophobicContact CD1-CB 4.19Å; I149-A231 VanDerWaalsContact CD1-O 3.28Å; I149-A231 WeakPolarHBondContact CD1-O 3.45Å; I149-A231 HydrophobicContact CG1-CB 4.47Å; I149-A231 HydrophobicContact CG2-CB 3.97Å; A189-A231 HydrophobicContact CB-CB 3.99Å; V191-A231 HydrophobicContact CG2-CB 4.05Å; W214-A231 HydrophobicContact CH2-CB 4.42Å; W214-A231 HydrophobicContact CZ2-CB 3.79Å; T227-A231 PolarHBondContact O-N 3.41Å; L228-A231 WeakPolarHBondContact O-CA 3.15Å; L228-A231 WeakPolarHBondContact O-CB 3.37Å; L228-A231 PolarHBondContact O-N 3.29Å; L229-A231 VanDerWaalsContact C-N 3.26Å; L229-A231 PolarHBondContact O-N 2.77Å; A231-C234 WeakPolarHBondContact O-CB 3.49Å; A231-C234 PolarHBondContact O-N 3.34Å
232	L	93.7	Very high	90.4	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-67.9	-40.6	173.3	-57.5	170.5	0	0	0	111.4	I10 L27 F80 V113 I149 L228 L229 E230 C234 I235	I10-L232 HydrophobicContact CD1-CB 4.42Å; I10-L232 HydrophobicContact CD1-CD2 3.64Å; I10-L232 HydrophobicContact CD1-CG 4.47Å; I10-L232 HydrophobicContact CG2-CD2 4.38Å; L27-L232 HydrophobicContact CD2-CD1 3.63Å; F80-L232 HydrophobicContact CE2-CD1 4.31Å; F80-L232 HydrophobicContact CZ-CD1 4Å; V113-L232 HydrophobicContact CG2-CD2 3.67Å; I149-L232 HydrophobicContact CD1-CD2 3.82Å; L228-L232 WeakPolarHBondContact O-CG 3.28Å; L228-L232 PolarHBondContact O-N 3.45Å; L229-L232 WeakPolarHBondContact O-CB 3.41Å; L229-L232 PolarHBondContact O-N 2.79Å; L229-L232 VanDerWaalsContact O-N 3.14Å; E230-L232 VanDerWaalsContact C-N 3.31Å; L232-C234 PolarHBondContact O-N 2.89Å; L232-I235 HydrophobicContact CB-CD1 4.42Å; L232-I235 HydrophobicContact CD2-CD1 4.27Å; L232-I235 WeakPolarHBondContact O-CB 3.36Å; L232-I235 WeakPolarHBondContact O-CD1 3.37Å; L232-I235 WeakPolarHBondContact O-CG1 3.44Å; L232-I235 PolarHBondContact O-N 2.96Å; L232-I235 VanDerWaalsContact O-N 3.13Å
233	D	91.9	Very high	90.2	Very high	29 Å²	29	44.1 Å²	44.1	16%	0.155	26%	0.26	C	S	.	.	H	α-helix	trans	-64.9	-21.4	174.3	-92.1	-28.8	0	0	0	113.1	T82 S83 K84 Y85 L229 E230 I235	T82-D233 WeakPolarHBondContact CB-OD1 3.26Å; T82-D233 PolarHBondContact OG1-OD1 3.41Å; S83-D233 WeakPolarHBondContact CB-OD2 3.4Å; S83-D233 PolarHBondContact N-OD2 2.98Å; S83-D233 PolarHBondContact OG-OD2 3.04Å; K84-D233 WeakPolarHBondContact CB-OD1 3.32Å; K84-D233 PolarHBondContact N-OD1 2.9Å; K84-D233 VanDerWaalsContact N-OD1 3.15Å; Y85-D233 WeakPolarHBondContact CE2-O 3.48Å; L229-D233 PolarHBondContact O-N 2.94Å; E230-D233 PolarHBondContact O-N 3.32Å; D233-I235 VanDerWaalsContact C-N 3.33Å
234	C	91	Very high	90.2	Very high	17 Å²	17	45.7 Å²	45.7	12%	0.115	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-6.8	175.4	176.4	0	0	0	0	113.7	W214 R218 A223 E230 A231 L232 L236	W214-C234 HydrophobicContact CH2-CB 3.75Å; W214-C234 HydrophobicContact CZ3-CB 4.22Å; R218-C234 VanDerWaalsContact CZ-O 3.3Å; R218-C234 PolarHBondContact NH1-O 3.48Å; R218-C234 PolarHBondContact NH2-O 2.94Å; A223-C234 HydrophobicContact CB-CB 4.27Å; A223-C234 WeakPolarHBondContact CB-SG 3.21Å; E230-C234 WeakPolarHBondContact O-CB 3.47Å; E230-C234 PolarHBondContact O-N 3.41Å; A231-C234 WeakPolarHBondContact O-CB 3.49Å; A231-C234 PolarHBondContact O-N 3.34Å; L232-C234 PolarHBondContact O-N 2.89Å; C234-L236 PolarHBondContact O-N 3.43Å
235	I	91.9	Very high	90.2	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-58.2	135.4	177	-66.2	167.7	0	0	0	109.7	I8 I10 Y85 C111 I149 L232 D233	I8-I235 HydrophobicContact CG2-CD1 4.3Å; I8-I235 HydrophobicContact CG2-CG2 4.1Å; I10-I235 HydrophobicContact CD1-CD1 3.43Å; I10-I235 VanDerWaalsContact CD1-CD1 3.43Å; I10-I235 HydrophobicContact CG1-CD1 4.06Å; Y85-I235 HydrophobicContact CE2-CB 4.33Å; Y85-I235 WeakPolarHBondContact CE2-O 3.37Å; Y85-I235 VanDerWaalsContact CZ-O 3.28Å; Y85-I235 PolarHBondContact OH-O 2.68Å; C111-I235 HydrophobicContact CB-CD1 3.73Å; C111-I235 HydrophobicContact CB-CG1 4.17Å; C111-I235 HydrophobicContact CB-CG2 4.15Å; I149-I235 HydrophobicContact CD1-CD1 4.05Å; I149-I235 HydrophobicContact CD1-CG1 3.94Å; L232-I235 HydrophobicContact CB-CD1 4.42Å; L232-I235 HydrophobicContact CD2-CD1 4.27Å; L232-I235 WeakPolarHBondContact O-CB 3.36Å; L232-I235 WeakPolarHBondContact O-CD1 3.37Å; L232-I235 WeakPolarHBondContact O-CG1 3.44Å; L232-I235 PolarHBondContact O-N 2.96Å; L232-I235 VanDerWaalsContact O-N 3.13Å; D233-I235 VanDerWaalsContact C-N 3.33Å
236	L	89.5	Confident	90.3	Very high	43 Å²	43	42 Å²	42	23%	0.225	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-74.8	135.5	170.7	-66.8	174.5	0	0	0	109.5	Q147 R218 D220 C234	Q147-L236 PolarHBondContact NE2-O 3.37Å; R218-L236 VanDerWaalsContact CZ-CD2 3.45Å; R218-L236 VanDerWaalsContact NH2-CD2 3.32Å; D220-L236 HydrophobicContact CB-CD1 3.91Å; D220-L236 HydrophobicContact CB-CD2 4.34Å; C234-L236 PolarHBondContact O-N 3.43Å
237	P	86.5	Confident	90.3	Very high	62 Å²	62	40.2 Å²	40.2	40%	0.403	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-57	128.9	170.5	-23.7	35.1	0	0	0	110.4	T6 Y85	T6-P237 HydrophobicContact CG2-CB 4.31Å; Y85-P237 HydrophobicContact CE1-CG 4.12Å; Y85-P237 WeakPolarHBondContact OH-CD 3.36Å
238	P	82.8	Confident	90.3	Very high	33 Å²	33	40.1 Å²	40.1	21%	0.214	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-67.6	149.9	174.5	31	-37.5	0	0	0	110.2	I8 D110 R240	I8-P238 HydrophobicContact CD1-CG 4.35Å; D110-P238 HydrophobicContact CB-CB 4.49Å; D110-P238 HydrophobicContact CB-CG 4.11Å; D110-P238 WeakPolarHBondContact OD1-CG 3.41Å; P238-R240 VanDerWaalsContact CG-NH1 3.3Å; P238-R240 PolarHBondContact O-N 2.97Å
239	T	81.6	Confident	90.3	Very high	136 Å²	136	40.3 Å²	40.3	83%	0.834	22%	0.222	S	C	*	.	P	Polyproline II helix	trans	-69.8	123.8	168.9	-46.2	0	0	0	0	109.1	P241	T239-P241 WeakPolarHBondContact O-CD 3.35Å
240	R	83.8	Confident	90.3	Very high	64 Å²	64	38.9 Å²	38.9	24%	0.242	22%	0.215	C	C	.	.			trans	-99.4	104	178.5	-59.4	-50.6	-160.4	-166.8	-9.2	109.7	H7 D110 P238 T242 P304 G305	H7-R240 PolarHBondContact O-NH2 2.98Å; D110-R240 IonicContact OD1-CZ 3.58Å; D110-R240 IonicContact OD1-NH1 2.86Å; D110-R240 PolarHBondContact OD1-NH1 3.47Å; D110-R240 IonicContact OD1-NH2 2.65Å; D110-R240 IonicContact OD2-CZ 3.27Å; D110-R240 IonicContact OD2-NH1 3.25Å; D110-R240 PolarHBondContact OD2-NH1 3.47Å; D110-R240 IonicContact OD2-NH2 3.61Å; D110-R240 PolarHBondContact OD2-NH2 3.24Å; P238-R240 VanDerWaalsContact CG-NH1 3.3Å; P238-R240 PolarHBondContact O-N 2.97Å; R240-T242 PolarHBondContact O-N 3.05Å; R240-P304 HydrophobicContact CB-CB 4Å; R240-P304 HydrophobicContact CB-CG 4.34Å; R240-P304 WeakPolarHBondContact CD-O 2.97Å; R240-P304 WeakPolarHBondContact CG-O 3.32Å; R240-P304 PolarHBondContact NE-O 2.84Å; R240-G305 VanDerWaalsContact CZ-CA 3.49Å
241	P	82.8	Confident	90	Very high	33 Å²	33	35.8 Å²	35.8	21%	0.214	20%	0.201	C	C	.	.			trans	-78.3	90.7	-176.3	31.3	-35.3	0	0	0	111.4	T239 K244 T269 G270 P304	T239-P241 WeakPolarHBondContact O-CD 3.35Å; P241-K244 HydrophobicContact CB-CD 4.17Å; P241-K244 HydrophobicContact CB-CG 4.3Å; P241-T269 HydrophobicContact CG-CG2 3.79Å; P241-G270 PolarHBondContact O-N 3.17Å; P241-P304 WeakPolarHBondContact O-CG 3.46Å
242	T	85.3	Confident	89.7	Confident	75 Å²	75	39 Å²	39	46%	0.46	22%	0.218	S	C	.	.			trans	-84.8	-18.7	177.5	51.1	0	0	0	0	113.3	R240 K244 V271 L303 P304	R240-T242 PolarHBondContact O-N 3.05Å; T242-K244 VanDerWaalsContact C-N 3.34Å; T242-V271 HydrophobicContact CG2-CG2 4.33Å; T242-L303 HydrophobicContact CG2-CD2 4.3Å; T242-P304 HydrophobicContact CG2-CG 4.07Å
243	D	86.6	Confident	89.5	Confident	137 Å²	137	39.8 Å²	39.8	73%	0.733	22%	0.222	S	C	*	.	S	Bend	trans	-78.3	-17.2	-179.7	62.6	-38.1	0	0	0	113.5
244	K	90.5	Very high	89.4	Confident	61 Å²	61	43.8 Å²	43.8	27%	0.265	24%	0.236	S	C	.	.	S	Bend	trans	-85.3	156.4	177.9	-68.2	-169.7	174.8	-164.5	0	112.2	P241 T242 T269 G270 D417	P241-K244 HydrophobicContact CB-CD 4.17Å; P241-K244 HydrophobicContact CB-CG 4.3Å; T242-K244 VanDerWaalsContact C-N 3.34Å; K244-T269 HydrophobicContact CB-CG2 4.37Å; K244-T269 HydrophobicContact CD-CG2 4.35Å; K244-G270 WeakPolarHBondContact O-CA 3.48Å; K244-G270 PolarHBondContact O-N 2.9Å; K244-D417 PolarHBondContact NZ-O 2.96Å
245	P	93.8	Very high	89.2	Confident	23 Å²	23	51.2 Å²	51.2	15%	0.149	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-56.8	153.2	172.9	-27.2	37.6	0	0	0	112.9	R247 T269 N331 D332 Y418	P245-R247 PolarHBondContact O-N 2.95Å; P245-T269 CarbonylContact O-C 3.5Å; P245-T269 WeakPolarHBondContact O-CB 3.37Å; P245-T269 PolarHBondContact O-OG1 3.26Å; P245-N331 WeakPolarHBondContact CB-O 3.03Å; P245-D332 HydrophobicContact CB-CB 4.14Å; P245-D332 HydrophobicContact CG-CB 3.93Å; P245-Y418 HydrophobicContact CB-CE1 4.4Å; P245-Y418 WeakPolarHBondContact CB-OH 3.27Å; P245-Y418 WeakPolarHBondContact CD-OH 3.43Å; P245-Y418 WeakPolarHBondContact CG-OH 3.41Å
246	L	95.7	Very high	88.7	Confident	4 Å²	4	54.5 Å²	54.5	2%	0.021	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-62.5	127.4	-177.7	176.3	68.2	0	0	0	111.1	L248 V267 T269 L272 M276 V278 G327 D328	L246-L248 HydrophobicContact CD1-CB 4.42Å; L246-V267 HydrophobicContact CD1-CG1 3.99Å; L246-T269 VanDerWaalsContact CA-O 3.26Å; L246-T269 WeakPolarHBondContact CA-O 3.23Å; L246-T269 WeakPolarHBondContact CD1-O 3.46Å; L246-L272 HydrophobicContact CD1-CB 4.13Å; L246-L272 HydrophobicContact CD2-CB 4.28Å; L246-L272 HydrophobicContact CD2-CD1 3.75Å; L246-M276 HydrophobicContact CD2-CE 4.39Å; L246-V278 HydrophobicContact CD2-CG1 4.09Å; L246-G327 WeakPolarHBondContact O-CA 3.37Å; L246-D328 HydrophobicContact CB-CB 4.26Å
247	R	95.9	Very high	88.3	Confident	1 Å²	1	56 Å²	56	0%	0.004	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-131.8	118.6	164	-66.6	-65.6	-176.6	-83.2	0.8	109.2	P245 E268 T269 V325 A326 D332 E413 Y418 L421	P245-R247 PolarHBondContact O-N 2.95Å; R247-E268 WeakPolarHBondContact O-CB 3.28Å; R247-E268 PolarHBondContact O-N 3.44Å; R247-T269 VanDerWaalsContact CB-OG1 3.29Å; R247-T269 WeakPolarHBondContact CB-OG1 3.29Å; R247-T269 WeakPolarHBondContact CG-OG1 3.29Å; R247-T269 PolarHBondContact N-O 2.86Å; R247-T269 PolarHBondContact N-OG1 2.94Å; R247-T269 PolarHBondContact O-N 2.82Å; R247-V325 HydrophobicContact CB-CG1 4.37Å; R247-A326 WeakPolarHBondContact CA-O 3.35Å; R247-D332 IonicContact CZ-OD2 3.82Å; R247-D332 PolarHBondContact NH1-O 3.23Å; R247-D332 PolarHBondContact NH2-O 2.79Å; R247-D332 VanDerWaalsContact NH2-O 3.13Å; R247-D332 IonicContact NH2-OD2 2.73Å; R247-D332 PolarHBondContact NH2-OD2 2.79Å; R247-E413 IonicContact CZ-OE1 2.71Å; R247-E413 VanDerWaalsContact CZ-OE1 3.29Å; R247-E413 IonicContact NE-OE1 3.29Å; R247-E413 PolarHBondContact NE-OE1 3.49Å; R247-E413 IonicContact NH2-OE1 2.65Å; R247-E413 PolarHBondContact NH2-OE1 3.48Å; R247-Y418 HydrophobicContact CG-CD1 3.51Å; R247-Y418 HydrophobicContact CG-CE1 3.67Å; R247-Y418 HydrophobicContact CG-CG 4.25Å; R247-Y418 PolarHBondContact NH2-OH 3.28Å; R247-L421 HydrophobicContact CB-CD1 3.85Å; R247-L421 HydrophobicContact CG-CD1 3.71Å
248	L	95.9	Very high	88	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	94.5	179.1	-168.4	172	0	0	0	108.8	L246 L250 R266 V267 L272 V308 F310 A326	L246-L248 HydrophobicContact CD1-CB 4.42Å; L248-L250 HydrophobicContact CD2-CD2 3.74Å; L248-L250 PolarHBondContact O-N 2.82Å; L248-R266 WeakPolarHBondContact CA-O 3.12Å; L248-V267 HydrophobicContact CD1-CG2 3.96Å; L248-V267 HydrophobicContact CG-CG2 4.37Å; L248-L272 HydrophobicContact CD1-CD2 3.79Å; L248-V308 HydrophobicContact CD1-CG2 3.94Å; L248-F310 HydrophobicContact CD1-CD1 4.15Å; L248-F310 HydrophobicContact CD1-CE1 3.69Å; L248-F310 HydrophobicContact CD1-CZ 4.41Å; L248-F310 HydrophobicContact CD2-CE1 3.9Å; L248-F310 HydrophobicContact CG-CE1 4.47Å; L248-A326 HydrophobicContact CB-CB 4.28Å; L248-A326 PolarHBondContact N-O 2.76Å; L248-A326 PolarHBondContact O-N 3.03Å
249	P	94.7	Very high	88	Confident	7 Å²	7	59.3 Å²	59.3	5%	0.045	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	126.8	171.4	-26	37.8	0	0	0	111.9	G265 R266 E268 H364 T365 L421	P249-G265 WeakPolarHBondContact O-CA 3.04Å; P249-R266 WeakPolarHBondContact CD-O 3.28Å; P249-E268 HydrophobicContact CG-CG 3.9Å; P249-H364 HydrophobicContact CB-CB 4.38Å; P249-H364 HydrophobicContact CG-CB 4.34Å; P249-T365 HydrophobicContact CB-CG2 3.95Å; P249-L421 HydrophobicContact CG-CD2 3.88Å
250	L	93.8	Very high	88.2	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	128.1	177.7	-59.7	-168.7	0	0	0	111	L248 V253 P263 F280 F310 V320 G323 N324 T365	L248-L250 HydrophobicContact CD2-CD2 3.74Å; L248-L250 PolarHBondContact O-N 2.82Å; L250-V253 HydrophobicContact CD1-CG2 4.11Å; L250-P263 HydrophobicContact CD1-CB 3.98Å; L250-P263 HydrophobicContact CD2-CB 3.72Å; L250-F280 HydrophobicContact CD1-CD1 3.83Å; L250-F280 HydrophobicContact CD1-CE1 3.76Å; L250-F280 HydrophobicContact CD2-CE1 4.19Å; L250-F280 HydrophobicContact CG-CD1 4.46Å; L250-F280 HydrophobicContact CG-CE1 4.36Å; L250-F310 HydrophobicContact CD2-CE1 4.19Å; L250-F310 HydrophobicContact CD2-CZ 4.15Å; L250-V320 HydrophobicContact CD1-CG1 3.11Å; L250-G323 PolarHBondContact O-N 2.87Å; L250-N324 WeakPolarHBondContact CB-O 3.37Å; L250-N324 HydrophobicContact CD1-CB 4.1Å; L250-N324 HydrophobicContact CG-CB 4.45Å; L250-N324 PolarHBondContact N-O 2.77Å; L250-T365 WeakPolarHBondContact O-CB 3.35Å; L250-T365 PolarHBondContact O-OG1 3.46Å
251	Q	87	Confident	88.6	Confident	19 Å²	19	51.9 Å²	51.9	9%	0.089	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-45.9	173.2	-63.8	167.9	22.2	0	0	110.3	T104 Q108 V264 N307 R322 T365	T104-Q251 HydrophobicContact CG2-CG 4.44Å; Q108-Q251 VanDerWaalsContact CG-NE2 3.35Å; Q251-V264 PolarHBondContact N-O 3.45Å; Q251-N307 PolarHBondContact NE2-OD1 2.94Å; Q251-R322 VanDerWaalsContact O-CB 3.3Å; Q251-R322 WeakPolarHBondContact O-CB 3.25Å; Q251-R322 VanDerWaalsContact O-CD 3.29Å; Q251-R322 WeakPolarHBondContact O-CD 3.35Å; Q251-R322 VanDerWaalsContact O-CG 3.25Å; Q251-R322 WeakPolarHBondContact O-CG 3.35Å; Q251-T365 HydrophobicContact CG-CG2 4.23Å
252	D	89	Confident	89.1	Confident	69 Å²	69	51 Å²	51	37%	0.369	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	170.1	179.5	-151.9	-8.1	0	0	0	111.4	Y254 V264	D252-Y254 HydrophobicContact CB-CE1 4.47Å; D252-Y254 HydrophobicContact CB-CE2 4.14Å; D252-Y254 WeakPolarHBondContact OD2-CE1 3.47Å; D252-Y254 VanDerWaalsContact OD2-CZ 3.27Å; D252-Y254 PolarHBondContact OD2-OH 3.45Å; D252-V264 PolarHBondContact N-O 2.89Å; D252-V264 PolarHBondContact O-N 3.11Å
253	V	89.9	Confident	89.5	Confident	18 Å²	18	47.4 Å²	47.4	11%	0.109	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	117	177.9	-174.8	0	0	0	0	110	L250 T261 P263 V317 V320	L250-V253 HydrophobicContact CD1-CG2 4.11Å; V253-T261 HydrophobicContact CG1-CG2 3.65Å; V253-P263 HydrophobicContact CG1-CG 4.37Å; V253-P263 HydrophobicContact CG2-CB 4.34Å; V253-V317 HydrophobicContact CG1-CB 4.37Å; V253-V317 HydrophobicContact CG1-CG1 4.07Å; V253-V320 HydrophobicContact CG2-CG1 4.08Å
254	Y	89.1	Confident	89.7	Confident	114 Å²	114	42.4 Å²	42.4	45%	0.447	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	150.5	-179.5	-58.5	-65.7	0	0	0	112.3	D252 V262 V264	D252-Y254 HydrophobicContact CB-CE1 4.47Å; D252-Y254 HydrophobicContact CB-CE2 4.14Å; D252-Y254 WeakPolarHBondContact OD2-CE1 3.47Å; D252-Y254 VanDerWaalsContact OD2-CZ 3.27Å; D252-Y254 PolarHBondContact OD2-OH 3.45Å; Y254-V262 PolarHBondContact N-O 3.39Å; Y254-V262 PolarHBondContact O-N 3.23Å; Y254-V264 HydrophobicContact CD2-CG2 3.73Å; Y254-V264 HydrophobicContact CE2-CB 4.4Å; Y254-V264 HydrophobicContact CE2-CG2 3.76Å
255	K	86.8	Confident	89.7	Confident	173 Å²	173	39.5 Å²	39.5	75%	0.752	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	110.1	165.2	-169.4	177.7	179.3	-175.1	0	108.5	V317	K255-V317 HydrophobicContact CB-CG1 3.69Å; K255-V317 HydrophobicContact CG-CG1 4.4Å
256	I	82.8	Confident	89.5	Confident	72 Å²	72	39 Å²	39	37%	0.369	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.4	-179.4	-55.2	-179.3	0	0	0	109	G258 I259 G260 V262	I256-G258 PolarHBondContact O-N 2.81Å; I256-I259 HydrophobicContact CB-CB 4.1Å; I256-I259 HydrophobicContact CG2-CB 4.11Å; I256-I259 HydrophobicContact CG2-CD1 3.86Å; I256-I259 HydrophobicContact CG2-CG1 4.06Å; I256-I259 PolarHBondContact O-N 3.49Å; I256-G260 PolarHBondContact N-O 2.93Å; I256-G260 PolarHBondContact O-N 3.43Å; I256-V262 HydrophobicContact CD1-CB 4.19Å; I256-V262 HydrophobicContact CD1-CG2 3.86Å; I256-V262 HydrophobicContact CG1-CG2 4.26Å
257	G	79.5	Confident	89.3	Confident	75 Å²	75	38.8 Å²	38.8	77%	0.773	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	131.7	176.4	0	0	0	0	0	111.2	I259	G257-I259 PolarHBondContact O-N 2.99Å; G257-I259 VanDerWaalsContact O-N 3.15Å
258	G	81.7	Confident	89.1	Confident	94 Å²	94	40 Å²	40	97%	0.969	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.6	-29.8	-177.8	0	0	0	0	0	115.5	I256	I256-G258 PolarHBondContact O-N 2.81Å
259	I	80.9	Confident	88.9	Confident	70 Å²	70	40 Å²	40	36%	0.359	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-44.7	-178.8	-59.9	-175.1	0	0	0	111.5	I256 G257 V262 N311	I256-I259 HydrophobicContact CB-CB 4.1Å; I256-I259 HydrophobicContact CG2-CB 4.11Å; I256-I259 HydrophobicContact CG2-CD1 3.86Å; I256-I259 HydrophobicContact CG2-CG1 4.06Å; I256-I259 PolarHBondContact O-N 3.49Å; G257-I259 PolarHBondContact O-N 2.99Å; G257-I259 VanDerWaalsContact O-N 3.15Å; I259-V262 HydrophobicContact CG2-CG2 3.82Å; I259-N311 HydrophobicContact CG2-CB 4.18Å; I259-N311 WeakPolarHBondContact CG2-ND2 3.07Å; I259-N311 PolarHBondContact O-ND2 2.51Å; I259-N311 PolarHBondContact O-OD1 3.14Å
260	G	86.1	Confident	88.8	Confident	32 Å²	32	39.8 Å²	39.8	33%	0.33	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	113.3	-136.9	-176.9	0	0	0	0	0	113.2	I256	I256-G260 PolarHBondContact N-O 2.93Å; I256-G260 PolarHBondContact O-N 3.43Å
261	T	92.6	Very high	88.9	Confident	12 Å²	12	41.2 Å²	41.2	7%	0.074	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	127.2	-178.4	-63.4	0	0	0	0	109.4	V253 V312 V315 V317	V253-T261 HydrophobicContact CG1-CG2 3.65Å; T261-V312 HydrophobicContact CG2-CG2 3.98Å; T261-V312 WeakPolarHBondContact O-CG2 3.5Å; T261-V312 PolarHBondContact O-N 3.32Å; T261-V315 WeakPolarHBondContact CB-O 3.19Å; T261-V315 PolarHBondContact OG1-O 2.8Å; T261-V317 HydrophobicContact CG2-CG1 4Å
262	V	92.8	Very high	89.3	Confident	15 Å²	15	40.3 Å²	40.3	9%	0.091	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	94.4	-176.7	-176.9	0	0	0	0	109.5	Y254 I256 I259 V264 F310	Y254-V262 PolarHBondContact N-O 3.39Å; Y254-V262 PolarHBondContact O-N 3.23Å; I256-V262 HydrophobicContact CD1-CB 4.19Å; I256-V262 HydrophobicContact CD1-CG2 3.86Å; I256-V262 HydrophobicContact CG1-CG2 4.26Å; I259-V262 HydrophobicContact CG2-CG2 3.82Å; V262-V264 HydrophobicContact CG1-CG2 4.41Å; V262-F310 WeakPolarHBondContact CA-O 3.44Å
263	P	93.9	Very high	89.6	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	142.7	164.4	-22.5	35.8	0	0	0	110.9	L250 V253 F280 G309 F310 V312	L250-P263 HydrophobicContact CD1-CB 3.98Å; L250-P263 HydrophobicContact CD2-CB 3.72Å; V253-P263 HydrophobicContact CG1-CG 4.37Å; V253-P263 HydrophobicContact CG2-CB 4.34Å; P263-F280 HydrophobicContact CB-CE1 4.38Å; P263-F280 HydrophobicContact CG-CE1 4.22Å; P263-F280 HydrophobicContact CG-CZ 3.93Å; P263-G309 WeakPolarHBondContact O-CA 3.38Å; P263-F310 HydrophobicContact CB-CE1 3.91Å; P263-F310 HydrophobicContact CB-CE2 4.24Å; P263-F310 HydrophobicContact CB-CZ 3.75Å; P263-F310 WeakPolarHBondContact CD-O 3.22Å; P263-F310 HydrophobicContact CG-CE2 4.25Å; P263-F310 HydrophobicContact CG-CZ 4.23Å; P263-F310 WeakPolarHBondContact O-CD1 3.13Å; P263-F310 PolarHBondContact O-N 3.14Å; P263-V312 HydrophobicContact CG-CG2 3.98Å
264	V	91.5	Very high	89.8	Confident	31 Å²	31	42.9 Å²	42.9	19%	0.188	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	138	177.4	-178.7	0	0	0	0	109.1	Q251 D252 Y254 V262 V308	Q251-V264 PolarHBondContact N-O 3.45Å; D252-V264 PolarHBondContact N-O 2.89Å; D252-V264 PolarHBondContact O-N 3.11Å; Y254-V264 HydrophobicContact CD2-CG2 3.73Å; Y254-V264 HydrophobicContact CE2-CB 4.4Å; Y254-V264 HydrophobicContact CE2-CG2 3.76Å; V262-V264 HydrophobicContact CG1-CG2 4.41Å; V264-V308 WeakPolarHBondContact CA-O 3.34Å
265	G	89.8	Confident	90	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.4	-177.9	176.4	0	0	0	0	0	112.8	P249 V308	P249-G265 WeakPolarHBondContact O-CA 3.04Å; G265-V308 PolarHBondContact N-O 3.37Å; G265-V308 PolarHBondContact O-N 2.56Å
266	R	89.3	Confident	90.4	Very high	12 Å²	12	32.9 Å²	32.9	5%	0.045	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	135	178.7	-173.3	177.4	177.9	-135.1	13	110.1	S107 Q108 D110 L248 P249 E268 D306 N307	S107-R266 PolarHBondContact O-NH1 2.86Å; Q108-R266 VanDerWaalsContact C-CZ 3.48Å; Q108-R266 VanDerWaalsContact CA-CD 3.48Å; Q108-R266 HydrophobicContact CG-CB 4.33Å; Q108-R266 WeakPolarHBondContact O-CD 3.28Å; Q108-R266 PolarHBondContact O-NE 3.35Å; Q108-R266 VanDerWaalsContact O-NE 3.1Å; Q108-R266 PolarHBondContact O-NH1 3.49Å; Q108-R266 PolarHBondContact O-NH2 3.34Å; D110-R266 VanDerWaalsContact CG-NH2 3.27Å; D110-R266 IonicContact OD1-CZ 3.63Å; D110-R266 IonicContact OD1-NH2 3.85Å; D110-R266 PolarHBondContact OD1-NH2 2.96Å; D110-R266 IonicContact OD2-NH2 3.83Å; D110-R266 PolarHBondContact OD2-NH2 2.85Å; L248-R266 WeakPolarHBondContact CA-O 3.12Å; P249-R266 WeakPolarHBondContact CD-O 3.28Å; R266-E268 WeakPolarHBondContact CD-OE1 3.26Å; R266-E268 IonicContact CZ-OE1 2.73Å; R266-E268 IonicContact NE-OE1 2.84Å; R266-E268 IonicContact NH1-OE1 2.88Å; R266-E268 PolarHBondContact NH1-OE1 3.3Å; R266-E268 IonicContact NH1-OE2 2.69Å; R266-E268 PolarHBondContact O-N 2.81Å; R266-D306 WeakPolarHBondContact CA-O 3.38Å; R266-N307 WeakPolarHBondContact CB-OD1 3.29Å
267	V	92.3	Very high	91	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	22%	0.216	C	C	.	.			trans	-73.4	117.9	170.8	-174.7	0	0	0	0	108.1	L246 L248 A302 L303 P304 G305 D306 V308	L246-V267 HydrophobicContact CD1-CG1 3.99Å; L248-V267 HydrophobicContact CD1-CG2 3.96Å; L248-V267 HydrophobicContact CG-CG2 4.37Å; V267-A302 HydrophobicContact CG2-CB 4.11Å; V267-L303 WeakPolarHBondContact CB-O 3.25Å; V267-P304 HydrophobicContact CG1-CB 4.49Å; V267-P304 HydrophobicContact CG1-CG 4.36Å; V267-P304 CarbonylContact O-C 3.53Å; V267-P304 VanDerWaalsContact O-CA 3.26Å; V267-P304 WeakPolarHBondContact O-CA 3.29Å; V267-G305 PolarHBondContact O-N 2.73Å; V267-D306 PolarHBondContact N-O 2.86Å; V267-V308 HydrophobicContact CG2-CG2 4.12Å
268	E	91.3	Very high	91.7	Very high	26 Å²	26	26.3 Å²	26.3	12%	0.121	18%	0.179	C	C	.	.			trans	-95.4	-37.5	179	-72.2	-60.5	149.7	0	0	111.9	R247 P249 R266 P420	R247-E268 WeakPolarHBondContact O-CB 3.28Å; R247-E268 PolarHBondContact O-N 3.44Å; P249-E268 HydrophobicContact CG-CG 3.9Å; R266-E268 WeakPolarHBondContact CD-OE1 3.26Å; R266-E268 IonicContact CZ-OE1 2.73Å; R266-E268 IonicContact NE-OE1 2.84Å; R266-E268 IonicContact NH1-OE1 2.88Å; R266-E268 PolarHBondContact NH1-OE1 3.3Å; R266-E268 IonicContact NH1-OE2 2.69Å; R266-E268 PolarHBondContact O-N 2.81Å; E268-P420 HydrophobicContact CB-CB 3.94Å; E268-P420 HydrophobicContact CB-CG 4.05Å; E268-P420 HydrophobicContact CG-CB 3.9Å; E268-P420 HydrophobicContact CG-CG 4.46Å; E268-P420 VanDerWaalsContact OE2-CB 3.24Å; E268-P420 WeakPolarHBondContact OE2-CB 3.3Å; E268-P420 WeakPolarHBondContact OE2-CG 3.33Å
269	T	92.4	Very high	92.4	Very high	2 Å²	2	22 Å²	22	1%	0.012	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-145.5	155.8	177.6	61.6	0	0	0	0	110.3	P241 K244 P245 L246 R247 Y418	P241-T269 HydrophobicContact CG-CG2 3.79Å; K244-T269 HydrophobicContact CB-CG2 4.37Å; K244-T269 HydrophobicContact CD-CG2 4.35Å; P245-T269 CarbonylContact O-C 3.5Å; P245-T269 WeakPolarHBondContact O-CB 3.37Å; P245-T269 PolarHBondContact O-OG1 3.26Å; L246-T269 VanDerWaalsContact CA-O 3.26Å; L246-T269 WeakPolarHBondContact CA-O 3.23Å; L246-T269 WeakPolarHBondContact CD1-O 3.46Å; R247-T269 VanDerWaalsContact CB-OG1 3.29Å; R247-T269 WeakPolarHBondContact CB-OG1 3.29Å; R247-T269 WeakPolarHBondContact CG-OG1 3.29Å; R247-T269 PolarHBondContact N-O 2.86Å; R247-T269 PolarHBondContact N-OG1 2.94Å; R247-T269 PolarHBondContact O-N 2.82Å; T269-Y418 HydrophobicContact CG2-CD1 4.27Å
270	G	93	Very high	93.1	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.01	12%	0.118	C	C	.	.	S	Bend	trans	71.1	-161.8	177.4	0	0	0	0	0	113.8	P241 K244 P304	P241-G270 PolarHBondContact O-N 3.17Å; K244-G270 WeakPolarHBondContact O-CA 3.48Å; K244-G270 PolarHBondContact O-N 2.9Å; G270-P304 VanDerWaalsContact O-CD 3.23Å; G270-P304 WeakPolarHBondContact O-CD 3.39Å; G270-P304 VanDerWaalsContact O-CG 3.32Å; G270-P304 WeakPolarHBondContact O-CG 3.37Å
271	V	94.5	Very high	93.6	Very high	31 Å²	31	17.3 Å²	17.3	19%	0.188	10%	0.103	C	C	.	.			trans	-132.2	136.1	-175.4	-177.1	0	0	0	0	109.5	T242 K273 M276 E301 A302 L303	T242-V271 HydrophobicContact CG2-CG2 4.33Å; V271-K273 HydrophobicContact CG1-CD 4.41Å; V271-K273 HydrophobicContact CG1-CG 3.93Å; V271-M276 WeakPolarHBondContact O-CE 3.32Å; V271-E301 HydrophobicContact CG1-CB 3.86Å; V271-A302 WeakPolarHBondContact CA-O 3.46Å; V271-A302 WeakPolarHBondContact CG1-O 3.34Å; V271-L303 HydrophobicContact CG1-CD2 4.05Å; V271-L303 HydrophobicContact CG2-CD2 3.84Å
272	L	95.7	Very high	93.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-106.4	125.9	174.1	178.2	76.1	0	0	0	109.3	L246 L248 V278 V289 V292 E301 A302 V308 F310	L246-L272 HydrophobicContact CD1-CB 4.13Å; L246-L272 HydrophobicContact CD2-CB 4.28Å; L246-L272 HydrophobicContact CD2-CD1 3.75Å; L248-L272 HydrophobicContact CD1-CD2 3.79Å; L272-V278 HydrophobicContact CD1-CG1 3.97Å; L272-V289 HydrophobicContact CD1-CG1 4.39Å; L272-V289 HydrophobicContact CD1-CG2 3.84Å; L272-V292 HydrophobicContact CD2-CG1 3.95Å; L272-V292 HydrophobicContact CD2-CG2 3.78Å; L272-V292 HydrophobicContact CG-CG2 3.88Å; L272-E301 CarbonylContact O-C 3.55Å; L272-E301 WeakPolarHBondContact O-CA 3.39Å; L272-A302 HydrophobicContact CB-CB 4.27Å; L272-A302 PolarHBondContact N-O 3.29Å; L272-A302 PolarHBondContact O-N 3.32Å; L272-V308 HydrophobicContact CD2-CG2 4.02Å; L272-F310 HydrophobicContact CD2-CB 4.04Å; L272-F310 HydrophobicContact CD2-CD1 3.9Å; L272-F310 HydrophobicContact CD2-CE1 4.48Å; L272-F310 HydrophobicContact CD2-CG 3.93Å
273	K	95.1	Very high	93.6	Very high	87 Å²	87	19 Å²	19	38%	0.378	11%	0.113	S	C	.	.			trans	-127.9	148.3	178.3	-48.3	-165.2	-171.5	-156.8	0	111.2	V271 M276 E301	V271-K273 HydrophobicContact CG1-CD 4.41Å; V271-K273 HydrophobicContact CG1-CG 3.93Å; K273-M276 HydrophobicContact CB-CG 4Å; K273-M276 HydrophobicContact CB-SD 3.82Å; K273-M276 HydrophobicContact CG-SD 3.95Å; K273-M276 PolarHBondContact N-SD 3.45Å; K273-M276 VanDerWaalsContact O-CB 3.28Å; K273-M276 WeakPolarHBondContact O-CB 3.23Å; K273-M276 WeakPolarHBondContact O-CG 3.49Å; K273-M276 PolarHBondContact O-N 2.89Å; K273-M276 VanDerWaalsContact O-N 3.16Å; K273-E301 HydrophobicContact CD-CB 4.09Å; K273-E301 WeakPolarHBondContact CE-OE2 3.39Å; K273-E301 HydrophobicContact CG-CB 3.82Å; K273-E301 IonicContact NZ-OE2 2.68Å; K273-E301 PolarHBondContact NZ-OE2 2.7Å
274	P	94.9	Very high	93.5	Very high	54 Å²	54	21.2 Å²	21.2	35%	0.351	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	140.7	164.1	-24.5	35.3	0	0	0	111.5	M276 V292 S300	P274-M276 VanDerWaalsContact C-N 3.29Å; P274-M276 PolarHBondContact O-N 3.3Å; P274-V292 HydrophobicContact CG-CG2 4.17Å; P274-S300 WeakPolarHBondContact CD-O 3.38Å
275	G	93.3	Very high	93.7	Very high	41 Å²	41	20.1 Å²	20.1	42%	0.423	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	-8.4	-175.6	0	0	0	0	0	115	V289	G275-V289 WeakPolarHBondContact CA-O 3.49Å; G275-V289 PolarHBondContact N-O 3.41Å
276	M	94.3	Very high	93.9	Very high	35 Å²	35	20.5 Å²	20.5	17%	0.172	12%	0.121	C	C	.	.			trans	-67.3	147.6	173.9	-73	-177.9	64.8	0	0	111.6	L246 V271 K273 P274 E288 V289 D328	L246-M276 HydrophobicContact CD2-CE 4.39Å; V271-M276 WeakPolarHBondContact O-CE 3.32Å; K273-M276 HydrophobicContact CB-CG 4Å; K273-M276 HydrophobicContact CB-SD 3.82Å; K273-M276 HydrophobicContact CG-SD 3.95Å; K273-M276 PolarHBondContact N-SD 3.45Å; K273-M276 VanDerWaalsContact O-CB 3.28Å; K273-M276 WeakPolarHBondContact O-CB 3.23Å; K273-M276 WeakPolarHBondContact O-CG 3.49Å; K273-M276 PolarHBondContact O-N 2.89Å; K273-M276 VanDerWaalsContact O-N 3.16Å; P274-M276 VanDerWaalsContact C-N 3.29Å; P274-M276 PolarHBondContact O-N 3.3Å; M276-E288 WeakPolarHBondContact O-CA 3.27Å; M276-V289 PolarHBondContact O-N 3.3Å; M276-D328 HydrophobicContact CE-CB 4.08Å
277	V	95.3	Very high	94.2	Very high	9 Å²	9	19.9 Å²	19.9	6%	0.055	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	115.9	171.9	-179.1	0	0	0	0	107.8	T286 T287 S329 A455 A458 Q459	V277-T286 HydrophobicContact CG1-CG2 3.45Å; V277-T286 VanDerWaalsContact CG1-CG2 3.45Å; V277-T287 CarbonylContact C-O 3.44Å; V277-T287 VanDerWaalsContact CA-O 3.32Å; V277-T287 WeakPolarHBondContact CA-O 3.39Å; V277-S329 VanDerWaalsContact O-CB 3.24Å; V277-S329 WeakPolarHBondContact O-CB 3.32Å; V277-S329 PolarHBondContact O-N 2.74Å; V277-A455 HydrophobicContact CG1-CB 3.74Å; V277-A458 HydrophobicContact CG2-CB 3.66Å; V277-Q459 HydrophobicContact CG2-CG 4.18Å
278	V	95.9	Very high	94.3	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	146.3	-177.2	-62.5	0	0	0	0	111	L246 L272 F280 T286 T287 V289 F310 G327	L246-V278 HydrophobicContact CD2-CG1 4.09Å; L272-V278 HydrophobicContact CD1-CG1 3.97Å; V278-F280 HydrophobicContact CG2-CE2 4.21Å; V278-F280 HydrophobicContact CG2-CZ 4.27Å; V278-T286 CarbonylContact O-C 3.23Å; V278-T286 WeakPolarHBondContact O-CA 3.43Å; V278-T287 HydrophobicContact CG2-CG2 4.08Å; V278-T287 PolarHBondContact N-O 3.31Å; V278-T287 PolarHBondContact O-N 3.07Å; V278-V289 HydrophobicContact CB-CG2 4.25Å; V278-V289 HydrophobicContact CG1-CG2 3.56Å; V278-V289 HydrophobicContact CG2-CG2 3.65Å; V278-F310 HydrophobicContact CG2-CE2 4.42Å; V278-G327 CarbonylContact C-O 3.55Å; V278-G327 WeakPolarHBondContact CA-O 3.43Å; V278-G327 WeakPolarHBondContact CB-O 3.43Å
279	T	95.6	Very high	94.4	Very high	5 Å²	5	19.7 Å²	19.7	3%	0.031	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.4	173.1	-64.4	0	0	0	0	109.5	V285 T286 A326 G327 S329 P333	T279-V285 CarbonylContact C-O 3.38Å; T279-V285 WeakPolarHBondContact CA-O 3.46Å; T279-T286 PolarHBondContact OG1-OG1 3.06Å; T279-A326 WeakPolarHBondContact O-CA 3.39Å; T279-G327 PolarHBondContact N-O 3.12Å; T279-G327 PolarHBondContact O-N 3.23Å; T279-S329 VanDerWaalsContact OG1-CB 3.31Å; T279-S329 WeakPolarHBondContact OG1-CB 3.44Å; T279-S329 PolarHBondContact OG1-OG 2.9Å; T279-P333 HydrophobicContact CG2-CB 4.5Å
280	F	96.1	Very high	94.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	124.3	174.1	-62.9	-81.4	0	0	0	110.4	L250 P263 V278 V283 N284 V285 T287 F310 V312 V320 V325 A326	L250-F280 HydrophobicContact CD1-CD1 3.83Å; L250-F280 HydrophobicContact CD1-CE1 3.76Å; L250-F280 HydrophobicContact CD2-CE1 4.19Å; L250-F280 HydrophobicContact CG-CD1 4.46Å; L250-F280 HydrophobicContact CG-CE1 4.36Å; P263-F280 HydrophobicContact CB-CE1 4.38Å; P263-F280 HydrophobicContact CG-CE1 4.22Å; P263-F280 HydrophobicContact CG-CZ 3.93Å; V278-F280 HydrophobicContact CG2-CE2 4.21Å; V278-F280 HydrophobicContact CG2-CZ 4.27Å; F280-V283 HydrophobicContact CB-CG2 3.85Å; F280-V283 WeakPolarHBondContact O-CG2 3.35Å; F280-N284 VanDerWaalsContact O-CA 3.26Å; F280-N284 WeakPolarHBondContact O-CA 3.4Å; F280-N284 PolarHBondContact O-N 2.82Å; F280-V285 HydrophobicContact CB-CB 4.47Å; F280-V285 HydrophobicContact CD2-CB 4.35Å; F280-V285 HydrophobicContact CD2-CG1 4.45Å; F280-V285 WeakPolarHBondContact CD2-O 3.49Å; F280-V285 PolarHBondContact N-O 2.8Å; F280-V285 PolarHBondContact O-N 2.85Å; F280-T287 HydrophobicContact CD2-CG2 4.48Å; F280-T287 HydrophobicContact CE2-CG2 3.67Å; F280-F310 HydrophobicContact CE1-CE2 4.16Å; F280-F310 AromaticContact CE1-CZ 3.89Å; F280-F310 HydrophobicContact CE1-CZ 3.89Å; F280-F310 AromaticContact CZ-CE2 3.76Å; F280-F310 HydrophobicContact CZ-CE2 3.76Å; F280-F310 AromaticContact CZ-CZ 3.97Å; F280-F310 HydrophobicContact CZ-CZ 3.97Å; F280-V312 HydrophobicContact CE2-CG1 4.43Å; F280-V312 HydrophobicContact CZ-CG1 4.23Å; F280-V320 HydrophobicContact CB-CG2 4.27Å; F280-V320 HydrophobicContact CD1-CG1 3.75Å; F280-V320 HydrophobicContact CD1-CG2 4.45Å; F280-V320 HydrophobicContact CD2-CG1 4.49Å; F280-V320 HydrophobicContact CD2-CG2 3.8Å; F280-V320 HydrophobicContact CE1-CG1 3.94Å; F280-V320 HydrophobicContact CE2-CG2 4.21Å; F280-V320 HydrophobicContact CG-CG1 4.04Å; F280-V320 HydrophobicContact CG-CG2 3.93Å; F280-V320 HydrophobicContact CZ-CG1 4.4Å; F280-V325 CarbonylContact C-O 3.56Å; F280-V325 WeakPolarHBondContact CA-O 3.41Å; F280-A326 HydrophobicContact CD1-CB 3.71Å; F280-A326 HydrophobicContact CE1-CB 3.58Å; F280-A326 HydrophobicContact CZ-CB 4.43Å
281	A	95	Very high	94.5	Very high	2 Å²	2	25 Å²	25	2%	0.017	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	150.4	171.5	0	0	0	0	0	110.9	N324 V325 P334 C411	A281-N324 CarbonylContact O-C 3.49Å; A281-N324 WeakPolarHBondContact O-CA 3.47Å; A281-N324 WeakPolarHBondContact O-CB 3.34Å; A281-V325 PolarHBondContact N-O 3.46Å; A281-V325 PolarHBondContact O-N 2.92Å; A281-P334 VanDerWaalsContact CB-C 3.46Å; A281-P334 HydrophobicContact CB-CB 3.72Å; A281-P334 HydrophobicContact CB-CG 3.97Å; A281-P334 WeakPolarHBondContact CB-O 3.35Å; A281-C411 HydrophobicContact CB-CB 3.87Å
282	P	93.8	Very high	94.4	Very high	10 Å²	10	23.5 Å²	23.5	7%	0.065	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	cis	-83.1	-5.1	2.5	34.6	-37.8	0	0	0	114.2	N284 N324 E336 P409	P282-N284 PolarHBondContact O-N 3.45Å; P282-N284 VanDerWaalsContact O-N 3.12Å; P282-N324 WeakPolarHBondContact CD-ND2 3.41Å; P282-E336 HydrophobicContact CB-CB 3.62Å; P282-E336 HydrophobicContact CB-CG 3.68Å; P282-P409 HydrophobicContact CB-CB 3.83Å; P282-P409 VanDerWaalsContact CG-C 3.49Å; P282-P409 HydrophobicContact CG-CB 3.63Å
283	V	93.2	Very high	94	Very high	52 Å²	52	26.8 Å²	26.8	32%	0.315	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-12	-171.6	-65	0	0	0	0	114.9	F280 V285	F280-V283 HydrophobicContact CB-CG2 3.85Å; F280-V283 WeakPolarHBondContact O-CG2 3.35Å; V283-V285 HydrophobicContact CB-CG2 4.16Å; V283-V285 HydrophobicContact CG2-CB 4.18Å; V283-V285 HydrophobicContact CG2-CG2 3.79Å; V283-V285 PolarHBondContact O-N 3.31Å
284	N	92.1	Very high	93.3	Very high	48 Å²	48	24.1 Å²	24.1	26%	0.257	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	49.7	-177.6	-158.2	24.4	0	0	0	113.2	F280 P282 G447 G449 K450	F280-N284 VanDerWaalsContact O-CA 3.26Å; F280-N284 WeakPolarHBondContact O-CA 3.4Å; F280-N284 PolarHBondContact O-N 2.82Å; P282-N284 PolarHBondContact O-N 3.45Å; P282-N284 VanDerWaalsContact O-N 3.12Å; N284-G447 PolarHBondContact ND2-O 3.38Å; N284-G449 WeakPolarHBondContact ND2-CA 3.24Å; N284-G449 PolarHBondContact ND2-N 3.23Å; N284-G449 CarbonylContact O-C 3.59Å; N284-G449 WeakPolarHBondContact O-CA 3.38Å; N284-K450 PolarHBondContact O-N 3.23Å
285	V	94	Very high	92.2	Very high	7 Å²	7	24.7 Å²	24.7	4%	0.042	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	122.2	175.8	176.6	0	0	0	0	108.8	T279 F280 V283 V315 D319 V320 K450	T279-V285 CarbonylContact C-O 3.38Å; T279-V285 WeakPolarHBondContact CA-O 3.46Å; F280-V285 HydrophobicContact CB-CB 4.47Å; F280-V285 HydrophobicContact CD2-CB 4.35Å; F280-V285 HydrophobicContact CD2-CG1 4.45Å; F280-V285 WeakPolarHBondContact CD2-O 3.49Å; F280-V285 PolarHBondContact N-O 2.8Å; F280-V285 PolarHBondContact O-N 2.85Å; V283-V285 HydrophobicContact CB-CG2 4.16Å; V283-V285 HydrophobicContact CG2-CB 4.18Å; V283-V285 HydrophobicContact CG2-CG2 3.79Å; V283-V285 PolarHBondContact O-N 3.31Å; V285-V315 HydrophobicContact CG1-CG1 4.28Å; V285-V315 HydrophobicContact CG1-CG2 3.9Å; V285-D319 HydrophobicContact CG2-CB 4.37Å; V285-V320 HydrophobicContact CB-CG2 4.44Å; V285-V320 HydrophobicContact CG1-CG2 4.49Å; V285-K450 WeakPolarHBondContact CA-O 3.48Å; V285-K450 HydrophobicContact CG2-CB 4.38Å
286	T	94.7	Very high	91.2	Very high	8 Å²	8	31.5 Å²	31.5	5%	0.049	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.2	-179.5	-55.3	0	0	0	0	111	V277 V278 T279 K450 V451 T452 A455	V277-T286 HydrophobicContact CG1-CG2 3.45Å; V277-T286 VanDerWaalsContact CG1-CG2 3.45Å; V278-T286 CarbonylContact O-C 3.23Å; V278-T286 WeakPolarHBondContact O-CA 3.43Å; T279-T286 PolarHBondContact OG1-OG1 3.06Å; T286-K450 PolarHBondContact N-O 3.09Å; T286-V451 HydrophobicContact CG2-CG1 4.45Å; T286-T452 WeakPolarHBondContact O-CG2 3.37Å; T286-T452 PolarHBondContact O-N 3.05Å; T286-T452 PolarHBondContact O-OG1 2.67Å; T286-T452 VanDerWaalsContact O-OG1 3.1Å; T286-A455 HydrophobicContact CG2-CB 4.04Å
287	T	95	Very high	90.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	167.6	-177.4	-163.4	0	0	0	0	113.1	V277 V278 F280 V312 K313 V315 T452	V277-T287 CarbonylContact C-O 3.44Å; V277-T287 VanDerWaalsContact CA-O 3.32Å; V277-T287 WeakPolarHBondContact CA-O 3.39Å; V278-T287 HydrophobicContact CG2-CG2 4.08Å; V278-T287 PolarHBondContact N-O 3.31Å; V278-T287 PolarHBondContact O-N 3.07Å; F280-T287 HydrophobicContact CD2-CG2 4.48Å; F280-T287 HydrophobicContact CE2-CG2 3.67Å; T287-V312 HydrophobicContact CG2-CB 3.56Å; T287-V312 HydrophobicContact CG2-CG1 3.47Å; T287-V312 VanDerWaalsContact CG2-CG1 3.47Å; T287-V312 HydrophobicContact CG2-CG2 4.39Å; T287-K313 PolarHBondContact OG1-O 3.25Å; T287-V315 HydrophobicContact CG2-CG2 3.9Å; T287-T452 WeakPolarHBondContact CA-OG1 3.34Å; T287-T452 PolarHBondContact OG1-OG1 2.95Å
288	E	94.6	Very high	90.2	Very high	22 Å²	22	40.1 Å²	40.1	10%	0.103	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	133.9	175.6	-169.2	-165.1	158.9	0	0	109.8	M276 K290 A458	M276-E288 WeakPolarHBondContact O-CA 3.27Å; E288-K290 VanDerWaalsContact CD-CE 3.46Å; E288-K290 WeakPolarHBondContact OE1-CE 3.48Å; E288-K290 IonicContact OE1-NZ 2.64Å; E288-K290 PolarHBondContact OE1-NZ 3.38Å; E288-K290 WeakPolarHBondContact OE2-CE 3.41Å; E288-K290 IonicContact OE2-NZ 2.68Å; E288-K290 PolarHBondContact OE2-NZ 3.19Å; E288-A458 HydrophobicContact CB-CB 4.32Å; E288-A458 HydrophobicContact CG-CB 3.74Å
289	V	94.8	Very high	89.8	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	122.3	171.3	-178.8	0	0	0	0	108.2	L272 G275 M276 V278 V292 F310	L272-V289 HydrophobicContact CD1-CG1 4.39Å; L272-V289 HydrophobicContact CD1-CG2 3.84Å; G275-V289 WeakPolarHBondContact CA-O 3.49Å; G275-V289 PolarHBondContact N-O 3.41Å; M276-V289 PolarHBondContact O-N 3.3Å; V278-V289 HydrophobicContact CB-CG2 4.25Å; V278-V289 HydrophobicContact CG1-CG2 3.56Å; V278-V289 HydrophobicContact CG2-CG2 3.65Å; V289-V292 HydrophobicContact CG1-CG2 3.67Å; V289-F310 HydrophobicContact CG1-CB 4.07Å; V289-F310 HydrophobicContact CG1-CD2 4.22Å; V289-F310 HydrophobicContact CG2-CD2 4.08Å; V289-F310 HydrophobicContact CG2-CE2 4.45Å
290	K	94.1	Very high	89.7	Confident	81 Å²	81	46.7 Å²	46.7	35%	0.352	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-40.8	-177.6	-72	-60.5	-175.4	-173.5	0	113.8	E288 N311 K313	E288-K290 VanDerWaalsContact CD-CE 3.46Å; E288-K290 WeakPolarHBondContact OE1-CE 3.48Å; E288-K290 IonicContact OE1-NZ 2.64Å; E288-K290 PolarHBondContact OE1-NZ 3.38Å; E288-K290 WeakPolarHBondContact OE2-CE 3.41Å; E288-K290 IonicContact OE2-NZ 2.68Å; E288-K290 PolarHBondContact OE2-NZ 3.19Å; K290-N311 HydrophobicContact CB-CB 4.31Å; K290-N311 PolarHBondContact N-O 2.81Å; K290-K313 HydrophobicContact CD-CD 4.5Å; K290-K313 HydrophobicContact CG-CD 4.09Å; K290-K313 HydrophobicContact CG-CG 3.95Å
291	S	92.7	Very high	89.6	Confident	32 Å²	32	50.2 Å²	50.2	22%	0.224	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	153.6	174.4	57.7	0	0	0	0	108.1	F310 N311	S291-F310 CarbonylContact O-C 3.51Å; S291-F310 VanDerWaalsContact O-CA 3.23Å; S291-F310 WeakPolarHBondContact O-CA 3.43Å; S291-F310 WeakPolarHBondContact O-CB 3.31Å; S291-N311 PolarHBondContact O-N 2.95Å; S291-N311 WeakPolarHBondContact OG-CB 3.26Å
292	V	92.8	Very high	89.4	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.9	170.8	-175.8	0	0	0	0	105.5	L272 P274 V289 L299 A302 V308 F310	L272-V292 HydrophobicContact CD2-CG1 3.95Å; L272-V292 HydrophobicContact CD2-CG2 3.78Å; L272-V292 HydrophobicContact CG-CG2 3.88Å; P274-V292 HydrophobicContact CG-CG2 4.17Å; V289-V292 HydrophobicContact CG1-CG2 3.67Å; V292-L299 HydrophobicContact CG1-CB 4.49Å; V292-L299 PolarHBondContact O-N 3.17Å; V292-A302 HydrophobicContact CG1-CB 3.83Å; V292-V308 HydrophobicContact CG1-CB 3.91Å; V292-V308 HydrophobicContact CG1-CG1 4.09Å; V292-V308 HydrophobicContact CG1-CG2 4.2Å; V292-F310 HydrophobicContact CG2-CB 4.15Å
293	E	87.2	Confident	89.4	Confident	69 Å²	69	52.8 Å²	52.8	32%	0.322	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.4	-178.1	-71.8	173.5	-146.2	0	0	109.4	E297 V308 G309	E293-E297 CarbonylContact C-O 3.49Å; E293-E297 VanDerWaalsContact CA-O 3.24Å; E293-E297 WeakPolarHBondContact CA-O 3.3Å; E293-V308 WeakPolarHBondContact O-CA 3.47Å; E293-G309 PolarHBondContact N-O 2.96Å; E293-G309 PolarHBondContact O-N 2.84Å; E293-G309 VanDerWaalsContact O-O 3.09Å
294	M	80.9	Confident	89.2	Confident	30 Å²	30	50.5 Å²	50.5	15%	0.148	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	113.1	171.7	-162.2	-173.6	53.4	0	0	106.3	H296 E297 L299 D306 N307 V308	M294-H296 PolarHBondContact O-N 3Å; M294-E297 PolarHBondContact N-O 3.01Å; M294-E297 PolarHBondContact O-N 2.76Å; M294-E297 VanDerWaalsContact O-N 3.14Å; M294-L299 HydrophobicContact CB-CD1 3.48Å; M294-L299 VanDerWaalsContact CB-CD1 3.48Å; M294-L299 HydrophobicContact CB-CD2 4.49Å; M294-L299 HydrophobicContact CB-CG 3.97Å; M294-L299 HydrophobicContact CE-CD1 4.4Å; M294-L299 HydrophobicContact CG-CD1 4.38Å; M294-L299 HydrophobicContact SD-CD1 4.39Å; M294-D306 HydrophobicContact SD-CB 3.96Å; M294-N307 WeakPolarHBondContact CG-O 3.36Å; M294-V308 HydrophobicContact CB-CG1 4.17Å; M294-V308 HydrophobicContact CG-CG1 4.22Å
295	H	70.5	Confident	88.9	Confident	66 Å²	66	48.3 Å²	48.3	31%	0.306	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	46.2	176.8	-47	-72	0	0	0	115.6	K79 E297	K79-H295 WeakPolarHBondContact CE-CD2 3.46Å; K79-H295 WeakPolarHBondContact CE-CE1 3.34Å; K79-H295 WeakPolarHBondContact CE-ND1 3.41Å; K79-H295 WeakPolarHBondContact CE-NE2 3.48Å; K79-H295 PolarHBondContact NZ-CD2 3.39Å; H295-E297 PolarHBondContact O-N 2.88Å
296	H	72.5	Confident	88.5	Confident	184 Å²	184	49.1 Å²	49.1	85%	0.852	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	6.9	-178	-49	-64	0	0	0	115.6	M294	M294-H296 PolarHBondContact O-N 3Å
297	E	80.6	Confident	88.1	Confident	139 Å²	139	49.4 Å²	49.4	65%	0.65	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	134.8	171.5	-64.8	-178.9	178.5	0	0	109.9	E293 M294 H295	E293-E297 CarbonylContact C-O 3.49Å; E293-E297 VanDerWaalsContact CA-O 3.24Å; E293-E297 WeakPolarHBondContact CA-O 3.3Å; M294-E297 PolarHBondContact N-O 3.01Å; M294-E297 PolarHBondContact O-N 2.76Å; M294-E297 VanDerWaalsContact O-N 3.14Å; H295-E297 PolarHBondContact O-N 2.88Å
298	A	87.5	Confident	87.8	Confident	86 Å²	86	49.4 Å²	49.4	71%	0.711	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	131.2	177.5	0	0	0	0	0	110.3
299	L	88.8	Confident	87.7	Confident	40 Å²	40	49.1 Å²	49.1	21%	0.209	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	139.7	177.4	-64.2	-176.9	0	0	0	111.1	V292 M294 E301 A302 V308	V292-L299 HydrophobicContact CG1-CB 4.49Å; V292-L299 PolarHBondContact O-N 3.17Å; M294-L299 HydrophobicContact CB-CD1 3.48Å; M294-L299 VanDerWaalsContact CB-CD1 3.48Å; M294-L299 HydrophobicContact CB-CD2 4.49Å; M294-L299 HydrophobicContact CB-CG 3.97Å; M294-L299 HydrophobicContact CE-CD1 4.4Å; M294-L299 HydrophobicContact CG-CD1 4.38Å; M294-L299 HydrophobicContact SD-CD1 4.39Å; L299-E301 VanDerWaalsContact C-N 3.34Å; L299-A302 HydrophobicContact CD1-CB 4.24Å; L299-V308 HydrophobicContact CD1-CG1 4.12Å
300	S	92.8	Very high	87.6	Confident	103 Å²	103	49.1 Å²	49.1	72%	0.72	27%	0.267	S	S	*	.	S	Bend	trans	-72.6	-31.4	169.8	52.2	0	0	0	0	112.3	P274	P274-S300 WeakPolarHBondContact CD-O 3.38Å
301	E	93.3	Very high	87.5	Confident	75 Å²	75	46.1 Å²	46.1	35%	0.35	25%	0.254	S	S	.	.			trans	-154.6	149.5	173.7	59	-175.7	-155.2	0	0	109.4	V271 L272 K273 L299	V271-E301 HydrophobicContact CG1-CB 3.86Å; L272-E301 CarbonylContact O-C 3.55Å; L272-E301 WeakPolarHBondContact O-CA 3.39Å; K273-E301 HydrophobicContact CD-CB 4.09Å; K273-E301 WeakPolarHBondContact CE-OE2 3.39Å; K273-E301 HydrophobicContact CG-CB 3.82Å; K273-E301 IonicContact NZ-OE2 2.68Å; K273-E301 PolarHBondContact NZ-OE2 2.7Å; L299-E301 VanDerWaalsContact C-N 3.34Å
302	A	92	Very high	87.5	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-114.7	132.9	172.3	0	0	0	0	0	109.7	V267 V271 L272 V292 L299 D306 V308	V267-A302 HydrophobicContact CG2-CB 4.11Å; V271-A302 WeakPolarHBondContact CA-O 3.46Å; V271-A302 WeakPolarHBondContact CG1-O 3.34Å; L272-A302 HydrophobicContact CB-CB 4.27Å; L272-A302 PolarHBondContact N-O 3.29Å; L272-A302 PolarHBondContact O-N 3.32Å; V292-A302 HydrophobicContact CG1-CB 3.83Å; L299-A302 HydrophobicContact CD1-CB 4.24Å; A302-D306 WeakPolarHBondContact CA-OD2 3.35Å; A302-D306 HydrophobicContact CB-CB 4.41Å; A302-V308 HydrophobicContact CB-CB 4.49Å; A302-V308 HydrophobicContact CB-CG1 3.65Å; A302-V308 HydrophobicContact CB-CG2 4.32Å
303	L	92.5	Very high	87.2	Confident	66 Å²	66	49.5 Å²	49.5	35%	0.346	27%	0.265	S	S	.	.			trans	-107.5	163.8	-172.4	-58.9	178.4	0	0	0	110.4	T242 V267 V271 G305 D306	T242-L303 HydrophobicContact CG2-CD2 4.3Å; V267-L303 WeakPolarHBondContact CB-O 3.25Å; V271-L303 HydrophobicContact CG1-CD2 4.05Å; V271-L303 HydrophobicContact CG2-CD2 3.84Å; L303-G305 PolarHBondContact O-N 2.77Å; L303-D306 PolarHBondContact N-OD2 2.8Å; L303-D306 WeakPolarHBondContact O-CB 3.2Å; L303-D306 VanDerWaalsContact O-CG 3.25Å; L303-D306 PolarHBondContact O-N 3.44Å; L303-D306 VanDerWaalsContact O-N 3.09Å
304	P	89.6	Confident	87.1	Confident	4 Å²	4	51.1 Å²	51.1	3%	0.026	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	133	177.3	-22.2	33.1	0	0	0	111.3	R240 P241 T242 V267 G270	R240-P304 HydrophobicContact CB-CB 4Å; R240-P304 HydrophobicContact CB-CG 4.34Å; R240-P304 WeakPolarHBondContact CD-O 2.97Å; R240-P304 WeakPolarHBondContact CG-O 3.32Å; R240-P304 PolarHBondContact NE-O 2.84Å; P241-P304 WeakPolarHBondContact O-CG 3.46Å; T242-P304 HydrophobicContact CG2-CG 4.07Å; V267-P304 HydrophobicContact CG1-CB 4.49Å; V267-P304 HydrophobicContact CG1-CG 4.36Å; V267-P304 CarbonylContact O-C 3.53Å; V267-P304 VanDerWaalsContact O-CA 3.26Å; V267-P304 WeakPolarHBondContact O-CA 3.29Å; G270-P304 VanDerWaalsContact O-CD 3.23Å; G270-P304 WeakPolarHBondContact O-CD 3.39Å; G270-P304 VanDerWaalsContact O-CG 3.32Å; G270-P304 WeakPolarHBondContact O-CG 3.37Å
305	G	84.9	Confident	87.6	Confident	2 Å²	2	50 Å²	50	2%	0.021	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	104	-24.3	-172.8	0	0	0	0	0	114.5	H7 N9 R240 V267 L303	H7-G305 PolarHBondContact CE1-O 3.39Å; N9-G305 PolarHBondContact ND2-O 3.36Å; R240-G305 VanDerWaalsContact CZ-CA 3.49Å; V267-G305 PolarHBondContact O-N 2.73Å; L303-G305 PolarHBondContact O-N 2.77Å
306	D	86.8	Confident	88.5	Confident	24 Å²	24	49.1 Å²	49.1	13%	0.128	27%	0.272	C	S	.	.			trans	-75	132.7	-176.9	-60.8	-14.2	0	0	0	110.9	H7 R266 V267 M294 A302 L303 V308	H7-D306 IonicContact ND1-OD1 2.81Å; R266-D306 WeakPolarHBondContact CA-O 3.38Å; V267-D306 PolarHBondContact N-O 2.86Å; M294-D306 HydrophobicContact SD-CB 3.96Å; A302-D306 WeakPolarHBondContact CA-OD2 3.35Å; A302-D306 HydrophobicContact CB-CB 4.41Å; L303-D306 PolarHBondContact N-OD2 2.8Å; L303-D306 WeakPolarHBondContact O-CB 3.2Å; L303-D306 VanDerWaalsContact O-CG 3.25Å; L303-D306 PolarHBondContact O-N 3.44Å; L303-D306 VanDerWaalsContact O-N 3.09Å; D306-V308 HydrophobicContact CB-CG1 3.78Å
307	N	85.8	Confident	89.2	Confident	14 Å²	14	42.9 Å²	42.9	8%	0.075	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	99.9	172.7	-70.2	-60.2	0	0	0	109.4	N9 Q108 Q251 R266 M294	N9-N307 PolarHBondContact OD1-ND2 3.15Å; Q108-N307 PolarHBondContact OE1-OD1 3.28Å; Q251-N307 PolarHBondContact NE2-OD1 2.94Å; R266-N307 WeakPolarHBondContact CB-OD1 3.29Å; M294-N307 WeakPolarHBondContact CG-O 3.36Å
308	V	88.5	Confident	89.7	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	146.3	-168.2	-60.4	0	0	0	0	112.7	L248 V264 G265 V267 L272 V292 E293 M294 L299 A302 D306 F310	L248-V308 HydrophobicContact CD1-CG2 3.94Å; V264-V308 WeakPolarHBondContact CA-O 3.34Å; G265-V308 PolarHBondContact N-O 3.37Å; G265-V308 PolarHBondContact O-N 2.56Å; V267-V308 HydrophobicContact CG2-CG2 4.12Å; L272-V308 HydrophobicContact CD2-CG2 4.02Å; V292-V308 HydrophobicContact CG1-CB 3.91Å; V292-V308 HydrophobicContact CG1-CG1 4.09Å; V292-V308 HydrophobicContact CG1-CG2 4.2Å; E293-V308 WeakPolarHBondContact O-CA 3.47Å; M294-V308 HydrophobicContact CB-CG1 4.17Å; M294-V308 HydrophobicContact CG-CG1 4.22Å; L299-V308 HydrophobicContact CD1-CG1 4.12Å; A302-V308 HydrophobicContact CB-CB 4.49Å; A302-V308 HydrophobicContact CB-CG1 3.65Å; A302-V308 HydrophobicContact CB-CG2 4.32Å; D306-V308 HydrophobicContact CB-CG1 3.78Å; V308-F310 HydrophobicContact CG2-CD1 4.48Å
309	G	92	Very high	89.9	Confident	15 Å²	15	43.3 Å²	43.3	16%	0.155	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	134.8	160.9	0	0	0	0	0	109.3	P263 E293	P263-G309 WeakPolarHBondContact O-CA 3.38Å; E293-G309 PolarHBondContact N-O 2.96Å; E293-G309 PolarHBondContact O-N 2.84Å; E293-G309 VanDerWaalsContact O-O 3.09Å
310	F	93.9	Very high	90.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	136.2	-179.1	60.1	-83.3	0	0	0	111.8	L248 L250 V262 P263 L272 V278 F280 V289 S291 V292 V308 V312 A326	L248-F310 HydrophobicContact CD1-CD1 4.15Å; L248-F310 HydrophobicContact CD1-CE1 3.69Å; L248-F310 HydrophobicContact CD1-CZ 4.41Å; L248-F310 HydrophobicContact CD2-CE1 3.9Å; L248-F310 HydrophobicContact CG-CE1 4.47Å; L250-F310 HydrophobicContact CD2-CE1 4.19Å; L250-F310 HydrophobicContact CD2-CZ 4.15Å; V262-F310 WeakPolarHBondContact CA-O 3.44Å; P263-F310 HydrophobicContact CB-CE1 3.91Å; P263-F310 HydrophobicContact CB-CE2 4.24Å; P263-F310 HydrophobicContact CB-CZ 3.75Å; P263-F310 WeakPolarHBondContact CD-O 3.22Å; P263-F310 HydrophobicContact CG-CE2 4.25Å; P263-F310 HydrophobicContact CG-CZ 4.23Å; P263-F310 WeakPolarHBondContact O-CD1 3.13Å; P263-F310 PolarHBondContact O-N 3.14Å; L272-F310 HydrophobicContact CD2-CB 4.04Å; L272-F310 HydrophobicContact CD2-CD1 3.9Å; L272-F310 HydrophobicContact CD2-CE1 4.48Å; L272-F310 HydrophobicContact CD2-CG 3.93Å; V278-F310 HydrophobicContact CG2-CE2 4.42Å; F280-F310 HydrophobicContact CE1-CE2 4.16Å; F280-F310 AromaticContact CE1-CZ 3.89Å; F280-F310 HydrophobicContact CE1-CZ 3.89Å; F280-F310 AromaticContact CZ-CE2 3.76Å; F280-F310 HydrophobicContact CZ-CE2 3.76Å; F280-F310 AromaticContact CZ-CZ 3.97Å; F280-F310 HydrophobicContact CZ-CZ 3.97Å; V289-F310 HydrophobicContact CG1-CB 4.07Å; V289-F310 HydrophobicContact CG1-CD2 4.22Å; V289-F310 HydrophobicContact CG2-CD2 4.08Å; V289-F310 HydrophobicContact CG2-CE2 4.45Å; S291-F310 CarbonylContact O-C 3.51Å; S291-F310 VanDerWaalsContact O-CA 3.23Å; S291-F310 WeakPolarHBondContact O-CA 3.43Å; S291-F310 WeakPolarHBondContact O-CB 3.31Å; V292-F310 HydrophobicContact CG2-CB 4.15Å; V308-F310 HydrophobicContact CG2-CD1 4.48Å; F310-V312 HydrophobicContact CD2-CG1 3.78Å; F310-V312 HydrophobicContact CE2-CG1 3.82Å; F310-A326 HydrophobicContact CZ-CB 4.13Å
311	N	92.1	Very high	90.1	Very high	18 Å²	18	42.8 Å²	42.8	10%	0.096	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	128.2	-177.9	-178.3	-17.4	0	0	0	110.6	I259 K290 S291	I259-N311 HydrophobicContact CG2-CB 4.18Å; I259-N311 WeakPolarHBondContact CG2-ND2 3.07Å; I259-N311 PolarHBondContact O-ND2 2.51Å; I259-N311 PolarHBondContact O-OD1 3.14Å; K290-N311 HydrophobicContact CB-CB 4.31Å; K290-N311 PolarHBondContact N-O 2.81Å; S291-N311 PolarHBondContact O-N 2.95Å; S291-N311 WeakPolarHBondContact OG-CB 3.26Å
312	V	93.1	Very high	90	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137	170.2	-63.1	0	0	0	0	111.9	T261 P263 F280 T287 F310 V315	T261-V312 HydrophobicContact CG2-CG2 3.98Å; T261-V312 WeakPolarHBondContact O-CG2 3.5Å; T261-V312 PolarHBondContact O-N 3.32Å; P263-V312 HydrophobicContact CG-CG2 3.98Å; F280-V312 HydrophobicContact CE2-CG1 4.43Å; F280-V312 HydrophobicContact CZ-CG1 4.23Å; T287-V312 HydrophobicContact CG2-CB 3.56Å; T287-V312 HydrophobicContact CG2-CG1 3.47Å; T287-V312 VanDerWaalsContact CG2-CG1 3.47Å; T287-V312 HydrophobicContact CG2-CG2 4.39Å; F310-V312 HydrophobicContact CD2-CG1 3.78Å; F310-V312 HydrophobicContact CE2-CG1 3.82Å; V312-V315 HydrophobicContact CG2-CB 4Å; V312-V315 HydrophobicContact CG2-CG1 4.5Å; V312-V315 HydrophobicContact CG2-CG2 4.24Å
313	K	85.2	Confident	89.9	Confident	104 Å²	104	43.2 Å²	43.2	45%	0.452	21%	0.213	S	C	.	.	S	Bend	trans	-92.3	150.6	178.3	-73.5	-168.6	178.1	-175.1	0	112.4	T287 K290 V315 S454	T287-K313 PolarHBondContact OG1-O 3.25Å; K290-K313 HydrophobicContact CD-CD 4.5Å; K290-K313 HydrophobicContact CG-CD 4.09Å; K290-K313 HydrophobicContact CG-CG 3.95Å; K313-V315 PolarHBondContact O-N 3.13Å; K313-V315 VanDerWaalsContact O-N 3.12Å; K313-S454 PolarHBondContact O-OG 2.88Å
314	N	85.9	Confident	90.1	Very high	103 Å²	103	40.3 Å²	40.3	55%	0.551	20%	0.198	S	C	*	.	S	Bend	trans	59.1	20.2	173	-52.2	-55.6	0	0	0	115.4	K450 T452 S454	N314-K450 PolarHBondContact O-NZ 3.37Å; N314-T452 HydrophobicContact CB-CG2 4.06Å; N314-S454 PolarHBondContact ND2-OG 3.26Å
315	V	90.7	Very high	90.4	Very high	6 Å²	6	40.1 Å²	40.1	4%	0.036	20%	0.196	C	C	.	.			trans	-109.4	128.8	173.2	178.4	0	0	0	0	107.9	T261 V285 T287 V312 K313 D319 V320 T452	T261-V315 WeakPolarHBondContact CB-O 3.19Å; T261-V315 PolarHBondContact OG1-O 2.8Å; V285-V315 HydrophobicContact CG1-CG1 4.28Å; V285-V315 HydrophobicContact CG1-CG2 3.9Å; T287-V315 HydrophobicContact CG2-CG2 3.9Å; V312-V315 HydrophobicContact CG2-CB 4Å; V312-V315 HydrophobicContact CG2-CG1 4.5Å; V312-V315 HydrophobicContact CG2-CG2 4.24Å; K313-V315 PolarHBondContact O-N 3.13Å; K313-V315 VanDerWaalsContact O-N 3.12Å; V315-D319 HydrophobicContact CG1-CB 4.16Å; V315-V320 HydrophobicContact CG1-CB 4.27Å; V315-V320 HydrophobicContact CG1-CG2 3.51Å; V315-T452 HydrophobicContact CG2-CG2 3.86Å
316	S	89.5	Confident	90.9	Very high	48 Å²	48	40 Å²	40	34%	0.336	20%	0.195	S	C	.	.			trans	-78.6	147.3	173.5	-179.7	0	0	0	0	109.9	K318 D319	S316-K318 PolarHBondContact O-N 3.43Å; S316-K318 PolarHBondContact OG-N 3.06Å; S316-D319 WeakPolarHBondContact CB-OD2 3.27Å; S316-D319 PolarHBondContact N-OD2 3Å; S316-D319 VanDerWaalsContact N-OD2 3.14Å; S316-D319 WeakPolarHBondContact O-CB 3.22Å; S316-D319 PolarHBondContact O-N 3.31Å
317	V	88.7	Confident	91.4	Very high	52 Å²	52	38.9 Å²	38.9	32%	0.315	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-13	168.5	-64.5	0	0	0	0	113.6	V253 K255 T261 V320	V253-V317 HydrophobicContact CG1-CB 4.37Å; V253-V317 HydrophobicContact CG1-CG1 4.07Å; K255-V317 HydrophobicContact CB-CG1 3.69Å; K255-V317 HydrophobicContact CG-CG1 4.4Å; T261-V317 HydrophobicContact CG2-CG1 4Å; V317-V320 VanDerWaalsContact O-O 3.05Å
318	K	89.9	Confident	91.7	Very high	184 Å²	184	39.8 Å²	39.8	80%	0.8	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-22.1	172.7	-62.6	-175.9	178.3	-177.8	0	113.3	S316	S316-K318 PolarHBondContact O-N 3.43Å; S316-K318 PolarHBondContact OG-N 3.06Å
319	D	91.4	Very high	91.9	Very high	50 Å²	50	41 Å²	41	27%	0.267	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-26.3	-175.1	-61.5	-17.3	0	0	0	111.5	V285 V315 S316 K450	V285-D319 HydrophobicContact CG2-CB 4.37Å; V315-D319 HydrophobicContact CG1-CB 4.16Å; S316-D319 WeakPolarHBondContact CB-OD2 3.27Å; S316-D319 PolarHBondContact N-OD2 3Å; S316-D319 VanDerWaalsContact N-OD2 3.14Å; S316-D319 WeakPolarHBondContact O-CB 3.22Å; S316-D319 PolarHBondContact O-N 3.31Å; D319-K450 IonicContact OD2-NZ 2.75Å; D319-K450 PolarHBondContact OD2-NZ 3.42Å
320	V	93.1	Very high	91.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-131.5	137.6	-176.1	179.6	0	0	0	0	108.4	L250 V253 F280 V285 V315 V317	L250-V320 HydrophobicContact CD1-CG1 3.11Å; V253-V320 HydrophobicContact CG2-CG1 4.08Å; F280-V320 HydrophobicContact CB-CG2 4.27Å; F280-V320 HydrophobicContact CD1-CG1 3.75Å; F280-V320 HydrophobicContact CD1-CG2 4.45Å; F280-V320 HydrophobicContact CD2-CG1 4.49Å; F280-V320 HydrophobicContact CD2-CG2 3.8Å; F280-V320 HydrophobicContact CE1-CG1 3.94Å; F280-V320 HydrophobicContact CE2-CG2 4.21Å; F280-V320 HydrophobicContact CG-CG1 4.04Å; F280-V320 HydrophobicContact CG-CG2 3.93Å; F280-V320 HydrophobicContact CZ-CG1 4.4Å; V285-V320 HydrophobicContact CB-CG2 4.44Å; V285-V320 HydrophobicContact CG1-CG2 4.49Å; V315-V320 HydrophobicContact CG1-CB 4.27Å; V315-V320 HydrophobicContact CG1-CG2 3.51Å; V317-V320 VanDerWaalsContact O-O 3.05Å
321	R	93.2	Very high	91.7	Very high	132 Å²	132	50.3 Å²	50.3	50%	0.498	24%	0.243	S	C	.	.			trans	-150	171.4	-175.1	62.8	179	-175.9	-129.5	-1.9	112.6	N324	R321-N324 PolarHBondContact N-OD1 2.94Å; R321-N324 VanDerWaalsContact N-OD1 3.14Å; R321-N324 VanDerWaalsContact O-CB 3.26Å; R321-N324 WeakPolarHBondContact O-CB 3.28Å; R321-N324 VanDerWaalsContact O-CG 3.23Å; R321-N324 PolarHBondContact O-N 3.49Å; R321-N324 VanDerWaalsContact O-N 3.1Å
322	R	90.9	Very high	91.7	Very high	78 Å²	78	52.5 Å²	52.5	29%	0.294	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	138.5	168.1	179.6	174	167.2	176.1	-6.3	111.8	K100 N101 T104 Q251 N324 H367	K100-R322 PolarHBondContact O-NH2 2.78Å; N101-R322 PolarHBondContact OD1-NH1 3.39Å; T104-R322 PolarHBondContact OG1-NH2 3.13Å; Q251-R322 VanDerWaalsContact O-CB 3.3Å; Q251-R322 WeakPolarHBondContact O-CB 3.25Å; Q251-R322 VanDerWaalsContact O-CD 3.29Å; Q251-R322 WeakPolarHBondContact O-CD 3.35Å; Q251-R322 VanDerWaalsContact O-CG 3.25Å; Q251-R322 WeakPolarHBondContact O-CG 3.35Å; R322-N324 VanDerWaalsContact C-N 3.29Å; R322-H367 PolarHBondContact NH2-CD2 3.38Å; R322-H367 PolarHBondContact NH2-NE2 2.84Å
323	G	90.8	Very high	91.7	Very high	7 Å²	7	54.4 Å²	54.4	7%	0.072	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	0.7	-175.9	0	0	0	0	0	114.2	L250 T365	L250-G323 PolarHBondContact O-N 2.87Å; G323-T365 WeakPolarHBondContact CA-OG1 3.44Å; G323-T365 PolarHBondContact N-OG1 3.14Å
324	N	95.4	Very high	92.1	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.021	25%	0.247	C	C	.	.			trans	-84.2	156.9	164.4	-63.1	174.8	0	0	0	109.7	L250 A281 P282 R321 R322	L250-N324 WeakPolarHBondContact CB-O 3.37Å; L250-N324 HydrophobicContact CD1-CB 4.1Å; L250-N324 HydrophobicContact CG-CB 4.45Å; L250-N324 PolarHBondContact N-O 2.77Å; A281-N324 CarbonylContact O-C 3.49Å; A281-N324 WeakPolarHBondContact O-CA 3.47Å; A281-N324 WeakPolarHBondContact O-CB 3.34Å; P282-N324 WeakPolarHBondContact CD-ND2 3.41Å; R321-N324 PolarHBondContact N-OD1 2.94Å; R321-N324 VanDerWaalsContact N-OD1 3.14Å; R321-N324 VanDerWaalsContact O-CB 3.26Å; R321-N324 WeakPolarHBondContact O-CB 3.28Å; R321-N324 VanDerWaalsContact O-CG 3.23Å; R321-N324 PolarHBondContact O-N 3.49Å; R321-N324 VanDerWaalsContact O-N 3.1Å; R322-N324 VanDerWaalsContact C-N 3.29Å
325	V	96.3	Very high	92.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	126.3	177.6	-178	0	0	0	0	108.1	R247 F280 A281 P334 C411 L421	R247-V325 HydrophobicContact CB-CG1 4.37Å; F280-V325 CarbonylContact C-O 3.56Å; F280-V325 WeakPolarHBondContact CA-O 3.41Å; A281-V325 PolarHBondContact N-O 3.46Å; A281-V325 PolarHBondContact O-N 2.92Å; V325-P334 HydrophobicContact CB-CB 4.28Å; V325-P334 HydrophobicContact CB-CG 4.46Å; V325-P334 HydrophobicContact CG1-CB 4.12Å; V325-P334 HydrophobicContact CG1-CG 4.25Å; V325-P334 WeakPolarHBondContact O-CG 3.36Å; V325-C411 HydrophobicContact CB-CB 4.34Å; V325-C411 HydrophobicContact CG2-CB 4Å; V325-L421 HydrophobicContact CG1-CD1 4.04Å; V325-L421 HydrophobicContact CG2-CD1 4.48Å; V325-L421 HydrophobicContact CG2-CD2 4.08Å
326	A	96.7	Very high	92.7	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	142.6	169.7	0	0	0	0	0	110	R247 L248 T279 F280 F310	R247-A326 WeakPolarHBondContact CA-O 3.35Å; L248-A326 HydrophobicContact CB-CB 4.28Å; L248-A326 PolarHBondContact N-O 2.76Å; L248-A326 PolarHBondContact O-N 3.03Å; T279-A326 WeakPolarHBondContact O-CA 3.39Å; F280-A326 HydrophobicContact CD1-CB 3.71Å; F280-A326 HydrophobicContact CE1-CB 3.58Å; F280-A326 HydrophobicContact CZ-CB 4.43Å; F310-A326 HydrophobicContact CZ-CB 4.13Å
327	G	95.9	Very high	93	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	172.1	169.6	0	0	0	0	0	112	L246 V278 T279 S329	L246-G327 WeakPolarHBondContact O-CA 3.37Å; V278-G327 CarbonylContact C-O 3.55Å; V278-G327 WeakPolarHBondContact CA-O 3.43Å; V278-G327 WeakPolarHBondContact CB-O 3.43Å; T279-G327 PolarHBondContact N-O 3.12Å; T279-G327 PolarHBondContact O-N 3.23Å; G327-S329 PolarHBondContact O-N 3.42Å
328	D	93.6	Very high	93.3	Very high	33 Å²	33	45.9 Å²	45.9	18%	0.176	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	122.1	-178.3	-174.4	-15.8	0	0	0	109.8	L246 M276 K330 N331 P333	L246-D328 HydrophobicContact CB-CB 4.26Å; M276-D328 HydrophobicContact CE-CB 4.08Å; D328-K330 PolarHBondContact O-N 3.48Å; D328-K330 PolarHBondContact OD1-N 2.81Å; D328-N331 HydrophobicContact CB-CB 4.17Å; D328-N331 PolarHBondContact O-N 3.17Å; D328-P333 WeakPolarHBondContact O-CA 3.34Å
329	S	92.2	Very high	93.6	Very high	27 Å²	27	37.6 Å²	37.6	19%	0.189	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.4	-179.7	-177	0	0	0	0	113.4	V277 T279 G327	V277-S329 VanDerWaalsContact O-CB 3.24Å; V277-S329 WeakPolarHBondContact O-CB 3.32Å; V277-S329 PolarHBondContact O-N 2.74Å; T279-S329 VanDerWaalsContact OG1-CB 3.31Å; T279-S329 WeakPolarHBondContact OG1-CB 3.44Å; T279-S329 PolarHBondContact OG1-OG 2.9Å; G327-S329 PolarHBondContact O-N 3.42Å
330	K	89.8	Confident	93.8	Very high	127 Å²	127	35.5 Å²	35.5	55%	0.552	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-14.8	-176.4	-63.4	-171.8	177.5	-169.7	0	113.5	D328	D328-K330 PolarHBondContact O-N 3.48Å; D328-K330 PolarHBondContact OD1-N 2.81Å
331	N	91.1	Very high	94.1	Very high	82 Å²	82	37 Å²	37	44%	0.439	19%	0.188	S	C	.	.	S	Bend	trans	-131.3	95.4	-176.4	-176.7	19	0	0	0	109.1	P245 D328	P245-N331 WeakPolarHBondContact CB-O 3.03Å; D328-N331 HydrophobicContact CB-CB 4.17Å; D328-N331 PolarHBondContact O-N 3.17Å
332	D	91.9	Very high	94.2	Very high	65 Å²	65	30.7 Å²	30.7	35%	0.348	16%	0.164	S	C	.	.	S	Bend	trans	41.7	71.8	-177.4	-175.3	44.6	0	0	0	113.8	P245 R247 Y418	P245-D332 HydrophobicContact CB-CB 4.14Å; P245-D332 HydrophobicContact CG-CB 3.93Å; R247-D332 IonicContact CZ-OD2 3.82Å; R247-D332 PolarHBondContact NH1-O 3.23Å; R247-D332 PolarHBondContact NH2-O 2.79Å; R247-D332 VanDerWaalsContact NH2-O 3.13Å; R247-D332 IonicContact NH2-OD2 2.73Å; R247-D332 PolarHBondContact NH2-OD2 2.79Å; D332-Y418 PolarHBondContact OD2-OH 2.82Å
333	P	92.9	Very high	94.4	Very high	41 Å²	41	29 Å²	29	27%	0.266	16%	0.16	S	C	.	.			trans	-63.1	145.4	177.7	25.4	-33.2	0	0	0	111.5	T279 D328 M335	T279-P333 HydrophobicContact CG2-CB 4.5Å; D328-P333 WeakPolarHBondContact O-CA 3.34Å; P333-M335 WeakPolarHBondContact O-CG 3.2Å
334	P	94.4	Very high	94.5	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.019	16%	0.156	C	C	.	.			trans	-62.2	151.7	173	28.7	-36.1	0	0	0	110.2	A281 V325	A281-P334 VanDerWaalsContact CB-C 3.46Å; A281-P334 HydrophobicContact CB-CB 3.72Å; A281-P334 HydrophobicContact CB-CG 3.97Å; A281-P334 WeakPolarHBondContact CB-O 3.35Å; V325-P334 HydrophobicContact CB-CB 4.28Å; V325-P334 HydrophobicContact CB-CG 4.46Å; V325-P334 HydrophobicContact CG1-CB 4.12Å; V325-P334 HydrophobicContact CG1-CG 4.25Å; V325-P334 WeakPolarHBondContact O-CG 3.36Å
335	M	94.5	Very high	94.4	Very high	52 Å²	52	30.1 Å²	30.1	26%	0.256	16%	0.164	S	C	.	.			trans	-135.5	161.7	-174.7	-59.4	-179.4	79.2	0	0	111.8	P333 C411 K443 K444	P333-M335 WeakPolarHBondContact O-CG 3.2Å; M335-C411 PolarHBondContact O-SG 3.02Å; M335-K443 HydrophobicContact CB-CB 4.11Å; M335-K443 HydrophobicContact CB-CD 4.04Å; M335-K443 HydrophobicContact CB-CG 4.19Å; M335-K443 HydrophobicContact CG-CD 4.26Å; M335-K443 HydrophobicContact SD-CB 4.03Å; M335-K443 HydrophobicContact SD-CD 3.84Å; M335-K443 HydrophobicContact SD-CG 4.47Å; M335-K444 WeakPolarHBondContact CE-O 3.47Å
336	E	95.1	Very high	94.2	Very high	43 Å²	43	30.2 Å²	30.2	20%	0.201	16%	0.164	C	C	.	.			trans	-68.7	134.3	170.9	-175.8	-179.2	166.6	0	0	110.6	P282 P409 K443 K444	P282-E336 HydrophobicContact CB-CB 3.62Å; P282-E336 HydrophobicContact CB-CG 3.68Å; E336-P409 HydrophobicContact CG-CB 4.32Å; E336-K443 WeakPolarHBondContact O-CA 3.47Å; E336-K444 HydrophobicContact CB-CB 4.45Å; E336-K444 HydrophobicContact CG-CD 4.13Å; E336-K444 PolarHBondContact O-N 3.46Å; E336-K444 WeakPolarHBondContact OE1-CE 3.41Å; E336-K444 IonicContact OE1-NZ 3.95Å; E336-K444 PolarHBondContact OE1-NZ 3.41Å; E336-K444 IonicContact OE2-NZ 3.45Å
337	A	94.8	Very high	93.7	Very high	3 Å²	3	31.5 Å²	31.5	3%	0.025	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	122.7	170.9	0	0	0	0	0	110.5	M410 V412 V441 D442	A337-M410 PolarHBondContact N-O 3.25Å; A337-V412 HydrophobicContact CB-CG2 3.57Å; A337-V441 HydrophobicContact CB-CG1 3.68Å; A337-D442 CarbonylContact C-O 3.57Å
338	A	94.8	Very high	92.9	Very high	33 Å²	33	36 Å²	36	27%	0.273	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	-40.5	165.7	0	0	0	0	0	110.6	D442 K444	A338-D442 HydrophobicContact CB-CB 4.42Å; A338-D442 PolarHBondContact N-O 3.18Å; A338-K444 HydrophobicContact CB-CG 3.68Å
339	G	95.9	Very high	92.5	Very high	10 Å²	10	35.3 Å²	35.3	10%	0.103	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	172.1	175.1	0	0	0	0	0	109.4	M404 D442	G339-M404 CarbonylContact C-O 3.44Å; G339-M404 WeakPolarHBondContact CA-O 3.39Å; G339-D442 PolarHBondContact O-N 3.4Å
340	F	97.5	Very high	92.1	Very high	6 Å²	6	38.4 Å²	38.4	3%	0.026	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	146.3	177.1	57.2	-90	0	0	0	111.2	A342 L361 M404 P406 V412 F424 I438 A440 V441	F340-A342 HydrophobicContact CD2-CB 4.12Å; F340-A342 HydrophobicContact CE2-CB 4.22Å; F340-L361 HydrophobicContact CE2-CD2 4.26Å; F340-L361 HydrophobicContact CZ-CD2 3.68Å; F340-M404 HydrophobicContact CD1-CB 4.49Å; F340-M404 HydrophobicContact CD2-CB 4.07Å; F340-M404 HydrophobicContact CE1-CB 4.07Å; F340-M404 HydrophobicContact CE2-CB 3.6Å; F340-M404 HydrophobicContact CE2-CG 3.96Å; F340-M404 HydrophobicContact CE2-SD 3.72Å; F340-M404 HydrophobicContact CZ-CB 3.6Å; F340-M404 HydrophobicContact CZ-CG 4.34Å; F340-M404 HydrophobicContact CZ-SD 4.12Å; F340-M404 PolarHBondContact N-O 3.23Å; F340-M404 PolarHBondContact O-N 2.9Å; F340-P406 HydrophobicContact CD1-CG 4.41Å; F340-P406 HydrophobicContact CE1-CG 4.02Å; F340-V412 HydrophobicContact CB-CG2 4.33Å; F340-V412 HydrophobicContact CD1-CG2 3.7Å; F340-V412 HydrophobicContact CE1-CG2 4.2Å; F340-V412 HydrophobicContact CG-CG2 4.09Å; F340-F424 HydrophobicContact CE2-CE1 4.19Å; F340-F424 HydrophobicContact CE2-CZ 4.34Å; F340-I438 HydrophobicContact CB-CG2 4.02Å; F340-I438 HydrophobicContact CD2-CD1 4.13Å; F340-I438 HydrophobicContact CD2-CG1 4.01Å; F340-I438 HydrophobicContact CD2-CG2 4.18Å; F340-I438 HydrophobicContact CE2-CD1 4.27Å; F340-I438 HydrophobicContact CE2-CG1 4.25Å; F340-I438 HydrophobicContact CG-CG2 4.41Å; F340-A440 CarbonylContact C-O 3.5Å; F340-A440 WeakPolarHBondContact CA-O 3.05Å; F340-A440 VanDerWaalsContact CB-O 3.32Å; F340-A440 WeakPolarHBondContact CB-O 3.38Å; F340-V441 HydrophobicContact CB-CB 4.42Å; F340-V441 HydrophobicContact CB-CG1 4.46Å; F340-V441 HydrophobicContact CB-CG2 4.06Å
341	T	97.8	Very high	92.1	Very high	30 Å²	30	34.2 Å²	34.2	18%	0.184	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	126.3	172.9	-57.8	0	0	0	0	108.6	K376 I401 V402 D403 K439 A440	T341-K376 PolarHBondContact OG1-NZ 3.17Å; T341-I401 HydrophobicContact CG2-CG2 3.42Å; T341-I401 VanDerWaalsContact CG2-CG2 3.42Å; T341-V402 WeakPolarHBondContact CA-O 3.35Å; T341-D403 WeakPolarHBondContact CB-OD1 3.48Å; T341-D403 WeakPolarHBondContact CG2-OD1 3.17Å; T341-D403 PolarHBondContact OG1-OD1 2.61Å; T341-K439 PolarHBondContact O-N 3.39Å; T341-A440 PolarHBondContact N-O 3Å; T341-A440 PolarHBondContact O-N 3.31Å
342	A	96.5	Very high	92.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	147.7	-179	0	0	0	0	0	112.2	F340 V344 I401 V402 M404 F424 V437	F340-A342 HydrophobicContact CD2-CB 4.12Å; F340-A342 HydrophobicContact CE2-CB 4.22Å; A342-V344 HydrophobicContact CB-CG2 4.15Å; A342-I401 CarbonylContact O-C 3.46Å; A342-I401 WeakPolarHBondContact O-CA 3.28Å; A342-V402 HydrophobicContact CB-CG2 4.5Å; A342-V402 PolarHBondContact N-O 2.89Å; A342-V402 PolarHBondContact O-N 3.49Å; A342-M404 HydrophobicContact CB-SD 4.4Å; A342-F424 HydrophobicContact CB-CE1 3.54Å; A342-F424 HydrophobicContact CB-CZ 3.49Å; A342-F424 VanDerWaalsContact CB-CZ 3.49Å; A342-V437 CarbonylContact C-O 3.55Å; A342-V437 VanDerWaalsContact CA-O 3.26Å; A342-V437 WeakPolarHBondContact CA-O 3.34Å; A342-V437 WeakPolarHBondContact CB-O 3.48Å
343	Q	94.3	Very high	92.3	Very high	43 Å²	43	32.5 Å²	32.5	20%	0.201	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	119.7	163.1	175.3	171.8	-16.1	0	0	108.8	I379 A400 I401 G436 V437 K439	Q343-I379 HydrophobicContact CG-CD1 3.78Å; Q343-A400 CarbonylContact C-O 3.59Å; Q343-A400 WeakPolarHBondContact CA-O 3.4Å; Q343-I401 HydrophobicContact CB-CD1 3.61Å; Q343-I401 HydrophobicContact CG-CD1 3.99Å; Q343-G436 CarbonylContact O-C 3.34Å; Q343-G436 WeakPolarHBondContact O-CA 3.35Å; Q343-V437 HydrophobicContact CB-CG2 3.95Å; Q343-V437 PolarHBondContact N-O 3.32Å; Q343-V437 PolarHBondContact O-N 3.03Å; Q343-K439 HydrophobicContact CB-CD 4.49Å
344	V	94.2	Very high	92.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	137.6	-176.6	-178.7	0	0	0	0	109.6	A342 I346 F372 A399 A400 V402 M404 F424 A434 V435	A342-V344 HydrophobicContact CB-CG2 4.15Å; V344-I346 HydrophobicContact CG1-CD1 3.8Å; V344-F372 HydrophobicContact CG1-CE1 4.48Å; V344-A399 CarbonylContact O-C 3.56Å; V344-A399 VanDerWaalsContact O-CA 3.28Å; V344-A399 WeakPolarHBondContact O-CA 3.45Å; V344-A400 PolarHBondContact N-O 3.48Å; V344-A400 PolarHBondContact O-N 3.27Å; V344-V402 HydrophobicContact CB-CG2 4.15Å; V344-V402 HydrophobicContact CG2-CG2 3.43Å; V344-V402 VanDerWaalsContact CG2-CG2 3.43Å; V344-M404 HydrophobicContact CG2-SD 4.38Å; V344-F424 HydrophobicContact CG2-CE2 4.02Å; V344-F424 HydrophobicContact CG2-CZ 3.67Å; V344-A434 HydrophobicContact CG1-CB 3.59Å; V344-V435 CarbonylContact C-O 3.52Å; V344-V435 WeakPolarHBondContact CA-O 3.47Å
345	I	91.7	Very high	92.4	Very high	35 Å²	35	35.9 Å²	35.9	18%	0.179	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	118	172.8	-57.8	173.5	0	0	0	107.4	L347 R381 A399 A434 V435	I345-L347 HydrophobicContact CG2-CD2 3.92Å; I345-R381 HydrophobicContact CD1-CG 4.24Å; I345-A399 HydrophobicContact CG1-CB 4.08Å; I345-A434 VanDerWaalsContact O-CA 3.23Å; I345-A434 WeakPolarHBondContact O-CA 3.22Å; I345-A434 VanDerWaalsContact O-CB 3.32Å; I345-A434 WeakPolarHBondContact O-CB 3.44Å; I345-V435 HydrophobicContact CB-CG2 4.22Å; I345-V435 PolarHBondContact N-O 3.47Å; I345-V435 PolarHBondContact O-N 2.79Å
346	I	92	Very high	92.4	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	129.6	176.8	-45.5	-50.6	0	0	0	108.3	V344 H349 I353 L394 K395 G397 D398 A434	V344-I346 HydrophobicContact CG1-CD1 3.8Å; I346-H349 HydrophobicContact CG2-CB 3.66Å; I346-I353 HydrophobicContact CD1-CD1 3.63Å; I346-I353 HydrophobicContact CG1-CD1 4.24Å; I346-I353 HydrophobicContact CG2-CD1 3.98Å; I346-L394 HydrophobicContact CD1-CD1 4.26Å; I346-L394 HydrophobicContact CG1-CB 3.94Å; I346-L394 HydrophobicContact CG1-CD1 4.32Å; I346-K395 WeakPolarHBondContact CB-O 3.37Å; I346-G397 WeakPolarHBondContact O-CA 3.32Å; I346-G397 PolarHBondContact O-N 3.23Å; I346-D398 PolarHBondContact N-O 3.07Å; I346-A434 HydrophobicContact CD1-CB 3.7Å
347	L	85.7	Confident	92.4	Very high	28 Å²	28	35.2 Å²	35.2	15%	0.147	22%	0.223	C	C	.	.			trans	-106.1	-74.4	-172.3	-59.9	178.4	0	0	0	111.2	L138 I345 S396 V433 V435	L138-L347 HydrophobicContact CD1-CD1 3.84Å; L138-L347 HydrophobicContact CD2-CD1 3.36Å; L138-L347 HydrophobicContact CG-CD1 4.11Å; I345-L347 HydrophobicContact CG2-CD2 3.92Å; L347-S396 VanDerWaalsContact O-CB 3.27Å; L347-S396 WeakPolarHBondContact O-CB 3.17Å; L347-S396 PolarHBondContact O-OG 2.8Å; L347-V433 PolarHBondContact N-O 2.52Å; L347-V435 HydrophobicContact CD1-CB 4.45Å; L347-V435 HydrophobicContact CD1-CG1 3.73Å; L347-V435 HydrophobicContact CD1-CG2 4Å; L347-V435 HydrophobicContact CD2-CG2 4.47Å; L347-V435 HydrophobicContact CG-CG2 4.39Å
348	N	80.7	Confident	92.4	Very high	93 Å²	93	38 Å²	38	50%	0.497	25%	0.246	S	C	.	.	S	Bend	trans	-130.2	41.6	-170.2	-63.5	-38.7	0	0	0	111.4	V433	N348-V433 PolarHBondContact N-O 2.68Å
349	H	84.8	Confident	92.5	Very high	19 Å²	19	36.6 Å²	36.6	9%	0.088	24%	0.235	C	C	.	.			trans	-71.5	129.2	174.4	-169.4	-90.7	0	0	0	110.3	I346 G351 Q352 I353 Y357 S396 V433	I346-H349 HydrophobicContact CG2-CB 3.66Å; H349-G351 VanDerWaalsContact C-N 3.3Å; H349-G351 PolarHBondContact ND1-N 2.72Å; H349-G351 VanDerWaalsContact ND1-N 3.18Å; H349-G351 PolarHBondContact ND1-O 2.84Å; H349-G351 PolarHBondContact O-N 3.23Å; H349-Q352 PolarHBondContact CE1-O 3.1Å; H349-I353 HydrophobicContact CB-CD1 4.23Å; H349-Y357 AromaticContact NE2-CZ 3.79Å; H349-S396 PolarHBondContact N-OG 3.19Å; H349-S396 PolarHBondContact O-OG 3.45Å; H349-V433 HydrophobicContact CB-CB 4.29Å
350	P	83.5	Confident	92.4	Very high	93 Å²	93	38.7 Å²	38.7	60%	0.604	25%	0.246	S	C	*	.	S	Bend	trans	-73	-22.1	-173.5	28.6	-35	0	0	0	113.7
351	G	90.1	Very high	92.1	Very high	38 Å²	38	38.4 Å²	38.4	39%	0.392	24%	0.244	S	C	.	.	S	Bend	trans	-128.3	-136.9	178	0	0	0	0	0	111.5	H349	H349-G351 VanDerWaalsContact C-N 3.3Å; H349-G351 PolarHBondContact ND1-N 2.72Å; H349-G351 VanDerWaalsContact ND1-N 3.18Å; H349-G351 PolarHBondContact ND1-O 2.84Å; H349-G351 PolarHBondContact O-N 3.23Å
352	Q	92.9	Very high	91.8	Very high	112 Å²	112	37 Å²	37	52%	0.523	24%	0.236	S	C	.	.			trans	-115	147.4	178.9	-65.5	175.3	-2.9	0	0	110.6	H349 F393 L394	H349-Q352 PolarHBondContact CE1-O 3.1Å; Q352-F393 HydrophobicContact CB-CB 3.99Å; Q352-F393 HydrophobicContact CB-CD2 3.96Å; Q352-F393 HydrophobicContact CB-CG 4.13Å; Q352-F393 VanDerWaalsContact CD-CE2 3.46Å; Q352-F393 HydrophobicContact CG-CD2 3.63Å; Q352-F393 HydrophobicContact CG-CE2 4.05Å; Q352-F393 HydrophobicContact CG-CG 4.18Å; Q352-L394 CarbonylContact C-O 3.51Å; Q352-L394 WeakPolarHBondContact CA-O 3.38Å
353	I	93.7	Very high	91.5	Very high	0 Å²	0	37 Å²	37	0%	0	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-104.7	118.6	175.4	-66.7	166.7	0	0	0	107.9	I346 H349 Y357 F372 F393 L394	I346-I353 HydrophobicContact CD1-CD1 3.63Å; I346-I353 HydrophobicContact CG1-CD1 4.24Å; I346-I353 HydrophobicContact CG2-CD1 3.98Å; H349-I353 HydrophobicContact CB-CD1 4.23Å; I353-Y357 HydrophobicContact CB-CD1 4.22Å; I353-Y357 HydrophobicContact CD1-CD1 4.28Å; I353-Y357 HydrophobicContact CD1-CE1 3.92Å; I353-Y357 HydrophobicContact CG1-CD1 3.88Å; I353-Y357 HydrophobicContact CG1-CE1 3.79Å; I353-Y357 HydrophobicContact CG2-CD1 3.47Å; I353-Y357 VanDerWaalsContact CG2-CD1 3.47Å; I353-Y357 HydrophobicContact CG2-CE1 4.21Å; I353-Y357 HydrophobicContact CG2-CG 4.02Å; I353-F372 HydrophobicContact CG2-CD1 3.93Å; I353-F372 HydrophobicContact CG2-CE1 4.15Å; I353-F372 HydrophobicContact CG2-CG 4.29Å; I353-F393 CarbonylContact O-C 3.53Å; I353-F393 WeakPolarHBondContact O-CA 3.4Å; I353-L394 HydrophobicContact CB-CB 4.34Å; I353-L394 PolarHBondContact N-O 2.74Å; I353-L394 PolarHBondContact O-N 3.22Å
354	S	95.4	Very high	91.1	Very high	53 Å²	53	35.3 Å²	35.3	37%	0.371	23%	0.228	S	C	.	.			trans	-112.9	166.4	174.1	-65.9	0	0	0	0	110.9	G356 Y357 K392	S354-G356 PolarHBondContact O-N 2.88Å; S354-Y357 VanDerWaalsContact O-CB 3.24Å; S354-Y357 WeakPolarHBondContact O-CB 3.38Å; S354-Y357 PolarHBondContact O-N 3.23Å; S354-Y357 VanDerWaalsContact O-N 3.13Å; S354-K392 PolarHBondContact OG-O 3.1Å
355	A	95.3	Very high	90.8	Very high	62 Å²	62	35.4 Å²	35.4	51%	0.512	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	136.6	169.8	0	0	0	0	0	110.3	F372	A355-F372 WeakPolarHBondContact CA-O 3.39Å
356	G	94.3	Very high	90.7	Very high	39 Å²	39	33.9 Å²	33.9	40%	0.402	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	99	-16.9	-172.7	0	0	0	0	0	115.1	S354 A358 F372	S354-G356 PolarHBondContact O-N 2.88Å; G356-A358 PolarHBondContact O-N 2.69Å; G356-F372 PolarHBondContact N-O 2.74Å
357	Y	95	Very high	90.7	Very high	41 Å²	41	35.8 Å²	35.8	16%	0.161	23%	0.23	C	C	.	.			trans	-58.3	128.5	174.8	180	-125.8	0	0	0	111.2	H349 I353 S354 P359 K371 F372 D428	H349-Y357 AromaticContact NE2-CZ 3.79Å; I353-Y357 HydrophobicContact CB-CD1 4.22Å; I353-Y357 HydrophobicContact CD1-CD1 4.28Å; I353-Y357 HydrophobicContact CD1-CE1 3.92Å; I353-Y357 HydrophobicContact CG1-CD1 3.88Å; I353-Y357 HydrophobicContact CG1-CE1 3.79Å; I353-Y357 HydrophobicContact CG2-CD1 3.47Å; I353-Y357 VanDerWaalsContact CG2-CD1 3.47Å; I353-Y357 HydrophobicContact CG2-CE1 4.21Å; I353-Y357 HydrophobicContact CG2-CG 4.02Å; S354-Y357 VanDerWaalsContact O-CB 3.24Å; S354-Y357 WeakPolarHBondContact O-CB 3.38Å; S354-Y357 PolarHBondContact O-N 3.23Å; S354-Y357 VanDerWaalsContact O-N 3.13Å; Y357-P359 VanDerWaalsContact C-CD 3.44Å; Y357-P359 HydrophobicContact CD1-CB 4.44Å; Y357-P359 VanDerWaalsContact CD1-CD 3.43Å; Y357-P359 HydrophobicContact CD1-CG 3.73Å; Y357-P359 HydrophobicContact CE1-CB 3.72Å; Y357-P359 HydrophobicContact CE1-CG 3.37Å; Y357-P359 HydrophobicContact CE2-CB 4.38Å; Y357-P359 WeakPolarHBondContact O-CD 3.28Å; Y357-K371 CarbonylContact O-C 3.53Å; Y357-K371 WeakPolarHBondContact O-CA 3.47Å; Y357-F372 AromaticContact CD1-CD2 3.75Å; Y357-F372 HydrophobicContact CD1-CD2 3.75Å; Y357-F372 AromaticContact CD1-CE2 3.87Å; Y357-F372 HydrophobicContact CD1-CE2 3.87Å; Y357-F372 HydrophobicContact CD1-CG 4.28Å; Y357-F372 HydrophobicContact CD1-CZ 4.45Å; Y357-F372 HydrophobicContact CE1-CE2 4.26Å; Y357-F372 WeakPolarHBondContact O-CD2 3.18Å; Y357-F372 PolarHBondContact O-N 3.3Å; Y357-D428 WeakPolarHBondContact CE2-OD2 3.49Å; Y357-D428 WeakPolarHBondContact OH-CB 3.47Å; Y357-D428 PolarHBondContact OH-OD2 2.83Å
358	A	95.4	Very high	91	Very high	61 Å²	61	35.7 Å²	35.7	50%	0.504	23%	0.229	S	C	.	.			trans	-127.3	65.7	-172.9	0	0	0	0	0	113.1	G356 C370 K371	G356-A358 PolarHBondContact O-N 2.69Å; A358-C370 WeakPolarHBondContact CA-O 3.4Å; A358-K371 HydrophobicContact CB-CB 4.42Å
359	P	95	Very high	91.7	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.032	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-74.4	172.1	177.6	34.2	-38.5	0	0	0	112	Y357 L361 A369 C370 F372 V426 R427 D428	Y357-P359 VanDerWaalsContact C-CD 3.44Å; Y357-P359 HydrophobicContact CD1-CB 4.44Å; Y357-P359 VanDerWaalsContact CD1-CD 3.43Å; Y357-P359 HydrophobicContact CD1-CG 3.73Å; Y357-P359 HydrophobicContact CE1-CB 3.72Å; Y357-P359 HydrophobicContact CE1-CG 3.37Å; Y357-P359 HydrophobicContact CE2-CB 4.38Å; Y357-P359 WeakPolarHBondContact O-CD 3.28Å; P359-L361 HydrophobicContact CG-CD1 4.15Å; P359-A369 CarbonylContact O-C 3.56Å; P359-A369 VanDerWaalsContact O-CA 3.26Å; P359-A369 WeakPolarHBondContact O-CA 3.19Å; P359-C370 WeakPolarHBondContact CD-O 3.49Å; P359-C370 PolarHBondContact O-N 3.01Å; P359-F372 HydrophobicContact CG-CD2 4Å; P359-F372 HydrophobicContact CG-CE2 3.46Å; P359-F372 VanDerWaalsContact CG-CE2 3.46Å; P359-V426 HydrophobicContact CB-CG1 3.58Å; P359-V426 HydrophobicContact CG-CG1 3.28Å; P359-R427 WeakPolarHBondContact CB-O 3.01Å; P359-D428 HydrophobicContact CB-CB 4.32Å
360	V	93.8	Very high	92.3	Very high	54 Å²	54	32.7 Å²	32.7	33%	0.327	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	128.2	172.9	180	0	0	0	0	109.5	R427	V360-R427 PolarHBondContact N-O 3.16Å; V360-R427 PolarHBondContact O-N 3.01Å
361	L	93.2	Very high	92.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	127.6	170	-89.3	61.5	0	0	0	109.5	F340 P359 H367 I368 C370 M404 F424 A425 V426	F340-L361 HydrophobicContact CE2-CD2 4.26Å; F340-L361 HydrophobicContact CZ-CD2 3.68Å; P359-L361 HydrophobicContact CG-CD1 4.15Å; L361-H367 WeakPolarHBondContact O-CA 3.2Å; L361-I368 PolarHBondContact N-O 2.88Å; L361-I368 PolarHBondContact O-N 3.23Å; L361-C370 HydrophobicContact CB-CB 4.47Å; L361-C370 HydrophobicContact CD1-CB 3.84Å; L361-C370 HydrophobicContact CD2-CB 3.75Å; L361-C370 HydrophobicContact CG-CB 4.2Å; L361-M404 HydrophobicContact CD1-CE 3.73Å; L361-M404 HydrophobicContact CD2-CE 3.51Å; L361-M404 HydrophobicContact CD2-SD 3.91Å; L361-M404 HydrophobicContact CG-CE 4.2Å; L361-F424 HydrophobicContact CD2-CD2 3.67Å; L361-F424 HydrophobicContact CD2-CE2 3.79Å; L361-F424 HydrophobicContact CD2-CG 4.23Å; L361-F424 HydrophobicContact CD2-CZ 4.45Å; L361-F424 HydrophobicContact CG-CD2 3.81Å; L361-F424 HydrophobicContact CG-CE2 4.21Å; L361-A425 WeakPolarHBondContact CA-O 3.41Å; L361-V426 HydrophobicContact CD1-CB 4.42Å; L361-V426 HydrophobicContact CD1-CG1 4.07Å; L361-V426 HydrophobicContact CD1-CG2 4Å; L361-V426 HydrophobicContact CG-CG2 4.19Å
362	D	90.8	Very high	93.2	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	106	169.1	-54.4	-43.3	0	0	0	107.7	I103 A366 H367 F424 A425 R427	I103-D362 HydrophobicContact CD1-CB 3.77Å; I103-D362 WeakPolarHBondContact CD1-OD2 3.47Å; I103-D362 HydrophobicContact CG2-CB 3.99Å; D362-A366 WeakPolarHBondContact CA-O 3.38Å; D362-H367 IonicContact OD1-CE1 3.43Å; D362-H367 IonicContact OD1-CG 2.81Å; D362-H367 IonicContact OD1-ND1 3.87Å; D362-H367 PolarHBondContact OD1-ND1 3.02Å; D362-F424 CarbonylContact O-C 3.55Å; D362-F424 VanDerWaalsContact O-CA 3.23Å; D362-F424 WeakPolarHBondContact O-CA 3.19Å; D362-F424 WeakPolarHBondContact O-CB 3.2Å; D362-A425 PolarHBondContact N-O 2.89Å; D362-A425 PolarHBondContact O-N 3.45Å; D362-R427 WeakPolarHBondContact OD2-CD 3.38Å; D362-R427 WeakPolarHBondContact OD2-CG 3.16Å
363	C	89.8	Confident	93.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128.1	175.6	-174.2	0	0	0	0	105.8	T365 A366 M410 V412 L421 R423 F424	C363-T365 PolarHBondContact O-N 3.13Å; C363-A366 PolarHBondContact N-O 3.5Å; C363-A366 WeakPolarHBondContact O-CA 3.43Å; C363-A366 WeakPolarHBondContact O-CB 3.49Å; C363-A366 PolarHBondContact O-N 2.86Å; C363-A366 VanDerWaalsContact O-O 3.13Å; C363-M410 HydrophobicContact CB-CE 3.44Å; C363-M410 VanDerWaalsContact CB-CE 3.44Å; C363-V412 HydrophobicContact CB-CG1 4.47Å; C363-L421 PolarHBondContact SG-O 2.99Å; C363-R423 PolarHBondContact SG-O 3.49Å; C363-F424 HydrophobicContact CB-CB 3.83Å
364	H	85.8	Confident	93.6	Very high	6 Å²	6	32.9 Å²	32.9	3%	0.028	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	-108	-177.9	59.4	-71.1	0	0	0	113.1	S107 P249 C411 L421	S107-H364 PolarHBondContact OG-O 2.84Å; P249-H364 HydrophobicContact CB-CB 4.38Å; P249-H364 HydrophobicContact CG-CB 4.34Å; H364-C411 PolarHBondContact CE1-O 3.28Å; H364-L421 HydrophobicContact CB-CD2 3.83Å; H364-L421 VanDerWaalsContact CG-CD2 3.46Å
365	T	87.3	Confident	93.6	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.018	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-1.4	176.6	63.2	0	0	0	0	113.1	T104 P249 L250 Q251 G323 C363 H367	T104-T365 HydrophobicContact CG2-CG2 4.21Å; P249-T365 HydrophobicContact CB-CG2 3.95Å; L250-T365 WeakPolarHBondContact O-CB 3.35Å; L250-T365 PolarHBondContact O-OG1 3.46Å; Q251-T365 HydrophobicContact CG-CG2 4.23Å; G323-T365 WeakPolarHBondContact CA-OG1 3.44Å; G323-T365 PolarHBondContact N-OG1 3.14Å; C363-T365 PolarHBondContact O-N 3.13Å; T365-H367 PolarHBondContact O-CD2 3.43Å
366	A	91	Very high	93.6	Very high	2 Å²	2	31 Å²	31	2%	0.017	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	135	178.3	0	0	0	0	0	111.8	D362 C363 I368 M410	D362-A366 WeakPolarHBondContact CA-O 3.38Å; C363-A366 PolarHBondContact N-O 3.5Å; C363-A366 WeakPolarHBondContact O-CA 3.43Å; C363-A366 WeakPolarHBondContact O-CB 3.49Å; C363-A366 PolarHBondContact O-N 2.86Å; C363-A366 VanDerWaalsContact O-O 3.13Å; A366-I368 HydrophobicContact CB-CG1 4.36Å; A366-M410 HydrophobicContact CB-CE 4.04Å; A366-M410 HydrophobicContact CB-CG 4.45Å
367	H	91.1	Very high	93.7	Very high	42 Å²	42	31.6 Å²	31.6	19%	0.194	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	85.7	179.2	-60.8	-75	0	0	0	108.8	K100 T104 R322 L361 D362 T365	K100-H367 PolarHBondContact O-CE1 3.36Å; T104-H367 PolarHBondContact OG1-NE2 3.27Å; R322-H367 PolarHBondContact NH2-CD2 3.38Å; R322-H367 PolarHBondContact NH2-NE2 2.84Å; L361-H367 WeakPolarHBondContact O-CA 3.2Å; D362-H367 IonicContact OD1-CE1 3.43Å; D362-H367 IonicContact OD1-CG 2.81Å; D362-H367 IonicContact OD1-ND1 3.87Å; D362-H367 PolarHBondContact OD1-ND1 3.02Å; T365-H367 PolarHBondContact O-CD2 3.43Å
368	I	93.1	Very high	93.7	Very high	26 Å²	26	31.2 Å²	31.2	13%	0.133	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	134.1	-166.7	-57.6	-64.6	0	0	0	110.3	L361 A366 C370 P406 K408 M410	L361-I368 PolarHBondContact N-O 2.88Å; L361-I368 PolarHBondContact O-N 3.23Å; A366-I368 HydrophobicContact CB-CG1 4.36Å; I368-C370 PolarHBondContact O-N 3.24Å; I368-P406 HydrophobicContact CG2-CB 4.36Å; I368-K408 HydrophobicContact CD1-CB 4.24Å; I368-K408 HydrophobicContact CG2-CB 4.09Å; I368-M410 HydrophobicContact CB-CG 4.5Å; I368-M410 HydrophobicContact CB-SD 4.07Å; I368-M410 HydrophobicContact CG1-CB 4.36Å; I368-M410 HydrophobicContact CG1-CG 4.17Å; I368-M410 HydrophobicContact CG1-SD 4.34Å; I368-M410 HydrophobicContact CG2-SD 4.45Å
369	A	95.1	Very high	93.6	Very high	48 Å²	48	28.5 Å²	28.5	40%	0.397	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	125.6	170.8	0	0	0	0	0	109.8	P359 G407	P359-A369 CarbonylContact O-C 3.56Å; P359-A369 VanDerWaalsContact O-CA 3.26Å; P359-A369 WeakPolarHBondContact O-CA 3.19Å; A369-G407 WeakPolarHBondContact O-CA 3.41Å; A369-G407 PolarHBondContact O-N 2.78Å
370	C	96.5	Very high	93.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.9	178.4	-59.2	0	0	0	0	110	A358 P359 L361 I368 M404 I405	A358-C370 WeakPolarHBondContact CA-O 3.4Å; P359-C370 WeakPolarHBondContact CD-O 3.49Å; P359-C370 PolarHBondContact O-N 3.01Å; L361-C370 HydrophobicContact CB-CB 4.47Å; L361-C370 HydrophobicContact CD1-CB 3.84Å; L361-C370 HydrophobicContact CD2-CB 3.75Å; L361-C370 HydrophobicContact CG-CB 4.2Å; I368-C370 PolarHBondContact O-N 3.24Å; C370-M404 HydrophobicContact CB-CE 4.14Å; C370-I405 CarbonylContact C-O 3.58Å; C370-I405 WeakPolarHBondContact CA-O 3.25Å
371	K	97.1	Very high	92.6	Very high	108 Å²	108	34.5 Å²	34.5	47%	0.47	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	128.5	177.9	-173.6	-177.5	-178.9	-174.3	0	109.6	Y357 A358 A373 M404 I405	Y357-K371 CarbonylContact O-C 3.53Å; Y357-K371 WeakPolarHBondContact O-CA 3.47Å; A358-K371 HydrophobicContact CB-CB 4.42Å; K371-A373 VanDerWaalsContact C-N 3.33Å; K371-A373 PolarHBondContact O-N 2.96Å; K371-M404 CarbonylContact O-C 3.53Å; K371-M404 VanDerWaalsContact O-CA 3.23Å; K371-M404 WeakPolarHBondContact O-CA 3.46Å; K371-I405 PolarHBondContact N-O 2.98Å; K371-I405 PolarHBondContact O-N 3.44Å
372	F	96.9	Very high	91.8	Very high	0 Å²	0	46 Å²	46	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	93.4	161.7	-75.8	-116.5	0	0	0	106.7	V344 I353 A355 G356 Y357 P359 L375 V402 M404 V426	V344-F372 HydrophobicContact CG1-CE1 4.48Å; I353-F372 HydrophobicContact CG2-CD1 3.93Å; I353-F372 HydrophobicContact CG2-CE1 4.15Å; I353-F372 HydrophobicContact CG2-CG 4.29Å; A355-F372 WeakPolarHBondContact CA-O 3.39Å; G356-F372 PolarHBondContact N-O 2.74Å; Y357-F372 AromaticContact CD1-CD2 3.75Å; Y357-F372 HydrophobicContact CD1-CD2 3.75Å; Y357-F372 AromaticContact CD1-CE2 3.87Å; Y357-F372 HydrophobicContact CD1-CE2 3.87Å; Y357-F372 HydrophobicContact CD1-CG 4.28Å; Y357-F372 HydrophobicContact CD1-CZ 4.45Å; Y357-F372 HydrophobicContact CE1-CE2 4.26Å; Y357-F372 WeakPolarHBondContact O-CD2 3.18Å; Y357-F372 PolarHBondContact O-N 3.3Å; P359-F372 HydrophobicContact CG-CD2 4Å; P359-F372 HydrophobicContact CG-CE2 3.46Å; P359-F372 VanDerWaalsContact CG-CE2 3.46Å; F372-L375 HydrophobicContact CB-CD2 4.43Å; F372-L375 HydrophobicContact CD1-CD2 3.93Å; F372-V402 HydrophobicContact CD1-CB 4.26Å; F372-V402 HydrophobicContact CD1-CG1 4.14Å; F372-V402 HydrophobicContact CD1-CG2 4.26Å; F372-V402 HydrophobicContact CE1-CG1 4.32Å; F372-V402 HydrophobicContact CE1-CG2 4.15Å; F372-M404 HydrophobicContact CD2-CE 3.58Å; F372-M404 HydrophobicContact CE1-CE 4.39Å; F372-M404 HydrophobicContact CE2-CE 3.26Å; F372-M404 HydrophobicContact CG-CE 4.25Å; F372-M404 HydrophobicContact CZ-CE 3.73Å; F372-V426 HydrophobicContact CE2-CG1 4.24Å; F372-V426 HydrophobicContact CZ-CG1 4.36Å; F372-V426 HydrophobicContact CZ-CG2 4.36Å
373	A	96.5	Very high	91.3	Very high	35 Å²	35	49.2 Å²	49.2	29%	0.289	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	-46.9	-173.6	0	0	0	0	0	110.8	K371 D403 I405	K371-A373 VanDerWaalsContact C-N 3.33Å; K371-A373 PolarHBondContact O-N 2.96Å; A373-D403 PolarHBondContact N-O 3.49Å; A373-I405 HydrophobicContact CB-CD1 3.64Å; A373-I405 HydrophobicContact CB-CG1 3.86Å
374	E	96.9	Very high	90.8	Very high	105 Å²	105	51.3 Å²	51.3	49%	0.491	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	136.2	-179.1	-170.9	-179.9	172	0	0	110.1	K376 V402 D403	E374-K376 HydrophobicContact CG-CG 4.38Å; E374-V402 WeakPolarHBondContact O-CA 3.44Å; E374-D403 HydrophobicContact CB-CB 4.28Å; E374-D403 PolarHBondContact N-O 3.36Å; E374-D403 PolarHBondContact O-N 3.38Å
375	L	96.6	Very high	90.9	Very high	8 Å²	8	58.3 Å²	58.3	4%	0.042	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	92.6	171.5	-52.6	-179.6	0	0	0	107.2	F372 G390 P391 L394 V402	F372-L375 HydrophobicContact CB-CD2 4.43Å; F372-L375 HydrophobicContact CD1-CD2 3.93Å; L375-G390 WeakPolarHBondContact O-CA 3.41Å; L375-P391 HydrophobicContact CB-CG 4.07Å; L375-P391 WeakPolarHBondContact CD1-O 3.4Å; L375-P391 WeakPolarHBondContact O-CD 3.31Å; L375-L394 HydrophobicContact CD1-CG 4.12Å; L375-L394 HydrophobicContact CD2-CD1 3.96Å; L375-L394 HydrophobicContact CD2-CG 4.46Å; L375-V402 HydrophobicContact CD2-CB 4.4Å; L375-V402 HydrophobicContact CD2-CG1 3.61Å
376	K	95.5	Very high	91.1	Very high	68 Å²	68	63 Å²	63	30%	0.296	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	-52.9	-170.8	-77	-178	158	159.4	0	112.5	T341 E374 G390 I401 D403	T341-K376 PolarHBondContact OG1-NZ 3.17Å; E374-K376 HydrophobicContact CG-CG 4.38Å; K376-G390 PolarHBondContact O-N 2.89Å; K376-I401 HydrophobicContact CB-CB 4.42Å; K376-I401 HydrophobicContact CB-CG2 4.38Å; K376-I401 WeakPolarHBondContact CB-O 3.44Å; K376-I401 HydrophobicContact CD-CG2 4.33Å; K376-I401 PolarHBondContact N-O 3.36Å; K376-D403 WeakPolarHBondContact CE-OD1 3.4Å; K376-D403 WeakPolarHBondContact CE-OD2 3.29Å; K376-D403 IonicContact NZ-OD1 3.79Å; K376-D403 PolarHBondContact NZ-OD1 3.26Å; K376-D403 IonicContact NZ-OD2 2.96Å; K376-D403 PolarHBondContact NZ-OD2 2.95Å
377	E	95.6	Very high	91.1	Very high	50 Å²	50	68.2 Å²	68.2	23%	0.234	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	143.2	-176.8	51.4	-179.9	-148.9	0	0	111.4	I379 K386 E388 A400 I401	E377-I379 HydrophobicContact CG-CG2 4.15Å; E377-K386 HydrophobicContact CB-CD 4.31Å; E377-K386 HydrophobicContact CB-CG 4.17Å; E377-K386 VanDerWaalsContact OE2-CD 3.23Å; E377-K386 WeakPolarHBondContact OE2-CD 3.41Å; E377-K386 VanDerWaalsContact OE2-CE 3.26Å; E377-K386 WeakPolarHBondContact OE2-CE 3.3Å; E377-K386 IonicContact OE2-NZ 3.87Å; E377-K386 PolarHBondContact OE2-NZ 2.84Å; E377-E388 CarbonylContact C-O 3.45Å; E377-E388 VanDerWaalsContact CA-O 3.29Å; E377-E388 WeakPolarHBondContact CA-O 3.49Å; E377-E388 WeakPolarHBondContact CB-O 3.2Å; E377-A400 CarbonylContact O-C 3.59Å; E377-A400 WeakPolarHBondContact O-CA 3.36Å; E377-A400 VanDerWaalsContact O-CB 3.28Å; E377-A400 WeakPolarHBondContact O-CB 3.46Å; E377-I401 HydrophobicContact CG-CB 3.67Å; E377-I401 HydrophobicContact CG-CG1 3.7Å; E377-I401 PolarHBondContact N-O 2.96Å; E377-I401 PolarHBondContact O-N 2.86Å; E377-I401 WeakPolarHBondContact OE1-CG1 3.45Å
378	K	95.4	Very high	91.3	Very high	34 Å²	34	70.6 Å²	70.6	15%	0.148	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	136	166.7	-167	171.4	176.3	156.5	0	108.6	L387 E388 P391 D398	K378-L387 PolarHBondContact O-N 2.81Å; K378-E388 HydrophobicContact CB-CB 3.78Å; K378-E388 PolarHBondContact N-O 3.32Å; K378-E388 PolarHBondContact O-N 2.91Å; K378-P391 HydrophobicContact CB-CB 4.47Å; K378-P391 HydrophobicContact CB-CG 4.19Å; K378-D398 WeakPolarHBondContact CE-OD1 3.29Å; K378-D398 IonicContact NZ-OD1 2.88Å; K378-D398 PolarHBondContact NZ-OD1 3.49Å; K378-D398 IonicContact NZ-OD2 2.81Å; K378-D398 PolarHBondContact NZ-OD2 3.12Å
379	I	93.5	Very high	91.4	Very high	4 Å²	4	75 Å²	75	2%	0.021	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	153.7	-178.4	63.3	171.4	0	0	0	110.9	Q343 E377 K385 A399 I401	Q343-I379 HydrophobicContact CG-CD1 3.78Å; E377-I379 HydrophobicContact CG-CG2 4.15Å; I379-K385 CarbonylContact C-O 3.52Å; I379-K385 VanDerWaalsContact CA-O 3.32Å; I379-K385 WeakPolarHBondContact CA-O 3.25Å; I379-A399 HydrophobicContact CD1-CB 4.42Å; I379-A399 HydrophobicContact CG1-CB 3.82Å; I379-A399 PolarHBondContact N-O 2.99Å; I379-A399 VanDerWaalsContact O-O 3.12Å; I379-I401 HydrophobicContact CD1-CD1 3.92Å; I379-I401 HydrophobicContact CD1-CG1 4.46Å; I379-I401 HydrophobicContact CG2-CG1 4.16Å
380	D	87.9	Confident	91.3	Very high	55 Å²	55	74.8 Å²	74.8	29%	0.294	37%	0.372	S	S	.	.			trans	-70.6	131	169.8	175.8	-106.4	0	0	0	110.3	R382 S383 G384 K385 L387	D380-R382 PolarHBondContact O-N 3.21Å; D380-R382 PolarHBondContact OD1-N 2.68Å; D380-R382 VanDerWaalsContact OD1-N 3.1Å; D380-S383 WeakPolarHBondContact CB-OG 3.2Å; D380-S383 WeakPolarHBondContact OD1-CB 3.4Å; D380-S383 PolarHBondContact OD1-N 3.23Å; D380-S383 PolarHBondContact OD1-OG 3.47Å; D380-G384 VanDerWaalsContact O-CA 3.28Å; D380-G384 WeakPolarHBondContact O-CA 3.41Å; D380-G384 PolarHBondContact O-N 3.07Å; D380-K385 PolarHBondContact N-O 3.21Å; D380-L387 HydrophobicContact CB-CD1 4.08Å; D380-L387 HydrophobicContact CB-CD2 4.3Å; D380-L387 HydrophobicContact CB-CG 4.2Å
381	R	79.5	Confident	91.2	Very high	129 Å²	129	75 Å²	75	49%	0.487	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-28.1	-174.3	-177.5	175.7	170.6	-174.2	-2.8	113.4	I345 A399	I345-R381 HydrophobicContact CD1-CG 4.24Å; R381-A399 HydrophobicContact CB-CB 4.2Å
382	R	76.1	Confident	91.1	Very high	242 Å²	242	78.5 Å²	78.5	91%	0.913	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-45.6	-174.8	-68.7	-176.6	179	-179.9	1.1	112.4	D380	D380-R382 PolarHBondContact O-N 3.21Å; D380-R382 PolarHBondContact OD1-N 2.68Å; D380-R382 VanDerWaalsContact OD1-N 3.1Å
383	S	80.2	Confident	91	Very high	69 Å²	69	82.4 Å²	82.4	48%	0.483	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-17.4	-174	63.4	0	0	0	0	113.6	D380 K385	D380-S383 WeakPolarHBondContact CB-OG 3.2Å; D380-S383 WeakPolarHBondContact OD1-CB 3.4Å; D380-S383 PolarHBondContact OD1-N 3.23Å; D380-S383 PolarHBondContact OD1-OG 3.47Å; S383-K385 PolarHBondContact O-N 3.18Å; S383-K385 PolarHBondContact OG-N 3.36Å
384	G	79.7	Confident	90.9	Very high	43 Å²	43	80.7 Å²	80.7	44%	0.443	39%	0.392	S	S	.	.			trans	69.4	5.9	-173.5	0	0	0	0	0	113.9	D380	D380-G384 VanDerWaalsContact O-CA 3.28Å; D380-G384 WeakPolarHBondContact O-CA 3.41Å; D380-G384 PolarHBondContact O-N 3.07Å
385	K	87	Confident	90.8	Very high	153 Å²	153	81.1 Å²	81.1	67%	0.665	39%	0.392	S	S	*	.			trans	-68.7	138.5	178.5	-70.6	-175.5	177.6	-174.7	0	110.6	I379 D380 S383 L387	I379-K385 CarbonylContact C-O 3.52Å; I379-K385 VanDerWaalsContact CA-O 3.32Å; I379-K385 WeakPolarHBondContact CA-O 3.25Å; D380-K385 PolarHBondContact N-O 3.21Å; S383-K385 PolarHBondContact O-N 3.18Å; S383-K385 PolarHBondContact OG-N 3.36Å; K385-L387 PolarHBondContact O-N 2.85Å
386	K	92	Very high	90.5	Very high	101 Å²	101	83.2 Å²	83.2	44%	0.439	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	130.1	173.7	-170.8	173.9	-170.8	142.8	0	110.6	E377 D389	E377-K386 HydrophobicContact CB-CD 4.31Å; E377-K386 HydrophobicContact CB-CG 4.17Å; E377-K386 VanDerWaalsContact OE2-CD 3.23Å; E377-K386 WeakPolarHBondContact OE2-CD 3.41Å; E377-K386 VanDerWaalsContact OE2-CE 3.26Å; E377-K386 WeakPolarHBondContact OE2-CE 3.3Å; E377-K386 IonicContact OE2-NZ 3.87Å; E377-K386 PolarHBondContact OE2-NZ 2.84Å; K386-D389 VanDerWaalsContact CE-OD1 3.25Å; K386-D389 WeakPolarHBondContact CE-OD1 3.19Å; K386-D389 IonicContact NZ-OD1 2.78Å; K386-D389 PolarHBondContact NZ-OD1 3.08Å
387	L	91.9	Very high	90.1	Very high	112 Å²	112	82.1 Å²	82.1	59%	0.586	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	-38.4	177.7	-65.9	177.4	0	0	0	111.8	K378 D380 K385	K378-L387 PolarHBondContact O-N 2.81Å; D380-L387 HydrophobicContact CB-CD1 4.08Å; D380-L387 HydrophobicContact CB-CD2 4.3Å; D380-L387 HydrophobicContact CB-CG 4.2Å; K385-L387 PolarHBondContact O-N 2.85Å
388	E	94.1	Very high	90	Very high	92 Å²	92	80.6 Å²	80.6	43%	0.43	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	140.6	-175.6	-169.5	-177.6	166.3	0	0	109.1	E377 K378 P391	E377-E388 CarbonylContact C-O 3.45Å; E377-E388 VanDerWaalsContact CA-O 3.29Å; E377-E388 WeakPolarHBondContact CA-O 3.49Å; E377-E388 WeakPolarHBondContact CB-O 3.2Å; K378-E388 HydrophobicContact CB-CB 3.78Å; K378-E388 PolarHBondContact N-O 3.32Å; K378-E388 PolarHBondContact O-N 2.91Å; E388-P391 HydrophobicContact CG-CB 4.46Å
389	D	95	Very high	89.9	Confident	119 Å²	119	79.1 Å²	79.1	64%	0.636	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	134.2	174.1	-159.4	29.8	0	0	0	110	K386	K386-D389 VanDerWaalsContact CE-OD1 3.25Å; K386-D389 WeakPolarHBondContact CE-OD1 3.19Å; K386-D389 IonicContact NZ-OD1 2.78Å; K386-D389 PolarHBondContact NZ-OD1 3.08Å
390	G	93.8	Very high	90.1	Very high	44 Å²	44	78.9 Å²	78.9	45%	0.454	40%	0.402	S	S	.	.	S	Bend	trans	55	49.6	177.7	0	0	0	0	0	115.4	L375 K376 K392	L375-G390 WeakPolarHBondContact O-CA 3.41Å; K376-G390 PolarHBondContact O-N 2.89Å; G390-K392 PolarHBondContact O-N 3.15Å
391	P	94.5	Very high	90.5	Very high	5 Å²	5	76.7 Å²	76.7	3%	0.032	39%	0.39	C	S	.	.			trans	-57.5	133.8	-176.6	26	-36.4	0	0	0	111.5	L375 K378 E388 F393 L394	L375-P391 HydrophobicContact CB-CG 4.07Å; L375-P391 WeakPolarHBondContact CD1-O 3.4Å; L375-P391 WeakPolarHBondContact O-CD 3.31Å; K378-P391 HydrophobicContact CB-CB 4.47Å; K378-P391 HydrophobicContact CB-CG 4.19Å; E388-P391 HydrophobicContact CG-CB 4.46Å; P391-F393 PolarHBondContact O-N 3.31Å; P391-L394 HydrophobicContact CB-CD2 4.34Å; P391-L394 HydrophobicContact CG-CD2 3.94Å
392	K	94.1	Very high	91.3	Very high	180 Å²	180	70.5 Å²	70.5	78%	0.783	37%	0.367	S	S	*	.	S	Bend	trans	-62.4	-30.3	-180	-67.2	-173.2	179.4	-178.7	0	112.9	S354 G390	S354-K392 PolarHBondContact OG-O 3.1Å; G390-K392 PolarHBondContact O-N 3.15Å
393	F	95.1	Very high	92.4	Very high	82 Å²	82	60.7 Å²	60.7	36%	0.36	33%	0.332	S	S	.	.			trans	-157.2	159.3	176.4	61.1	-95.9	0	0	0	111.6	Q352 I353 P391	Q352-F393 HydrophobicContact CB-CB 3.99Å; Q352-F393 HydrophobicContact CB-CD2 3.96Å; Q352-F393 HydrophobicContact CB-CG 4.13Å; Q352-F393 VanDerWaalsContact CD-CE2 3.46Å; Q352-F393 HydrophobicContact CG-CD2 3.63Å; Q352-F393 HydrophobicContact CG-CE2 4.05Å; Q352-F393 HydrophobicContact CG-CG 4.18Å; I353-F393 CarbonylContact O-C 3.53Å; I353-F393 WeakPolarHBondContact O-CA 3.4Å; P391-F393 PolarHBondContact O-N 3.31Å
394	L	95.2	Very high	93.2	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-113.1	148	172	-56.2	173.4	0	0	0	110.2	I346 Q352 I353 L375 P391 D398 A400 V402	I346-L394 HydrophobicContact CD1-CD1 4.26Å; I346-L394 HydrophobicContact CG1-CB 3.94Å; I346-L394 HydrophobicContact CG1-CD1 4.32Å; Q352-L394 CarbonylContact C-O 3.51Å; Q352-L394 WeakPolarHBondContact CA-O 3.38Å; I353-L394 HydrophobicContact CB-CB 4.34Å; I353-L394 PolarHBondContact N-O 2.74Å; I353-L394 PolarHBondContact O-N 3.22Å; L375-L394 HydrophobicContact CD1-CG 4.12Å; L375-L394 HydrophobicContact CD2-CD1 3.96Å; L375-L394 HydrophobicContact CD2-CG 4.46Å; P391-L394 HydrophobicContact CB-CD2 4.34Å; P391-L394 HydrophobicContact CG-CD2 3.94Å; L394-D398 HydrophobicContact CD2-CB 4.41Å; L394-A400 HydrophobicContact CD1-CB 3.53Å; L394-A400 HydrophobicContact CD2-CB 3.63Å; L394-A400 HydrophobicContact CG-CB 4.24Å; L394-V402 HydrophobicContact CD1-CG1 4.14Å
395	K	93.8	Very high	94	Very high	113 Å²	113	59.3 Å²	59.3	49%	0.491	31%	0.309	S	S	.	.			trans	-126.3	167.6	174.9	59.9	178.9	178.3	-173	0	111.4	I346 G397 D398	I346-K395 WeakPolarHBondContact CB-O 3.37Å; K395-G397 PolarHBondContact O-N 2.81Å; K395-D398 VanDerWaalsContact CG-OD2 3.28Å; K395-D398 WeakPolarHBondContact CG-OD2 3.24Å; K395-D398 PolarHBondContact N-OD2 3.26Å; K395-D398 WeakPolarHBondContact O-CB 3.32Å; K395-D398 PolarHBondContact O-N 2.86Å
396	S	91	Very high	94.5	Very high	52 Å²	52	52.9 Å²	52.9	36%	0.364	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	129.7	173.8	-70.9	0	0	0	0	112.3	L347 H349	L347-S396 VanDerWaalsContact O-CB 3.27Å; L347-S396 WeakPolarHBondContact O-CB 3.17Å; L347-S396 PolarHBondContact O-OG 2.8Å; H349-S396 PolarHBondContact N-OG 3.19Å; H349-S396 PolarHBondContact O-OG 3.45Å
397	G	87.7	Confident	94.5	Very high	46 Å²	46	51.1 Å²	51.1	47%	0.474	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.4	-18.3	-175.8	0	0	0	0	0	114.7	I346 K395	I346-G397 WeakPolarHBondContact O-CA 3.32Å; I346-G397 PolarHBondContact O-N 3.23Å; K395-G397 PolarHBondContact O-N 2.81Å
398	D	93.2	Very high	94.6	Very high	18 Å²	18	52.4 Å²	52.4	10%	0.096	29%	0.294	C	S	.	.			trans	-73.2	148.8	179.2	-67.5	-18.8	0	0	0	111.7	I346 K378 L394 K395	I346-D398 PolarHBondContact N-O 3.07Å; K378-D398 WeakPolarHBondContact CE-OD1 3.29Å; K378-D398 IonicContact NZ-OD1 2.88Å; K378-D398 PolarHBondContact NZ-OD1 3.49Å; K378-D398 IonicContact NZ-OD2 2.81Å; K378-D398 PolarHBondContact NZ-OD2 3.12Å; L394-D398 HydrophobicContact CD2-CB 4.41Å; K395-D398 VanDerWaalsContact CG-OD2 3.28Å; K395-D398 WeakPolarHBondContact CG-OD2 3.24Å; K395-D398 PolarHBondContact N-OD2 3.26Å; K395-D398 WeakPolarHBondContact O-CB 3.32Å; K395-D398 PolarHBondContact O-N 2.86Å
399	A	93.3	Very high	94.6	Very high	2 Å²	2	50.9 Å²	50.9	2%	0.017	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	142.2	164.8	0	0	0	0	0	108.9	V344 I345 I379 R381	V344-A399 CarbonylContact O-C 3.56Å; V344-A399 VanDerWaalsContact O-CA 3.28Å; V344-A399 WeakPolarHBondContact O-CA 3.45Å; I345-A399 HydrophobicContact CG1-CB 4.08Å; I379-A399 HydrophobicContact CD1-CB 4.42Å; I379-A399 HydrophobicContact CG1-CB 3.82Å; I379-A399 PolarHBondContact N-O 2.99Å; I379-A399 VanDerWaalsContact O-O 3.12Å; R381-A399 HydrophobicContact CB-CB 4.2Å
400	A	96.1	Very high	94.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	156.3	-177.3	0	0	0	0	0	112.1	Q343 V344 E377 L394 V402	Q343-A400 CarbonylContact C-O 3.59Å; Q343-A400 WeakPolarHBondContact CA-O 3.4Å; V344-A400 PolarHBondContact N-O 3.48Å; V344-A400 PolarHBondContact O-N 3.27Å; E377-A400 CarbonylContact O-C 3.59Å; E377-A400 WeakPolarHBondContact O-CA 3.36Å; E377-A400 VanDerWaalsContact O-CB 3.28Å; E377-A400 WeakPolarHBondContact O-CB 3.46Å; L394-A400 HydrophobicContact CD1-CB 3.53Å; L394-A400 HydrophobicContact CD2-CB 3.63Å; L394-A400 HydrophobicContact CG-CB 4.24Å; A400-V402 HydrophobicContact CB-CG1 4.12Å
401	I	96.6	Very high	94.6	Very high	8 Å²	8	43.2 Å²	43.2	4%	0.041	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	127.2	162.1	-52.8	-53.5	0	0	0	107.6	T341 A342 Q343 K376 E377 I379 K439	T341-I401 HydrophobicContact CG2-CG2 3.42Å; T341-I401 VanDerWaalsContact CG2-CG2 3.42Å; A342-I401 CarbonylContact O-C 3.46Å; A342-I401 WeakPolarHBondContact O-CA 3.28Å; Q343-I401 HydrophobicContact CB-CD1 3.61Å; Q343-I401 HydrophobicContact CG-CD1 3.99Å; K376-I401 HydrophobicContact CB-CB 4.42Å; K376-I401 HydrophobicContact CB-CG2 4.38Å; K376-I401 WeakPolarHBondContact CB-O 3.44Å; K376-I401 HydrophobicContact CD-CG2 4.33Å; K376-I401 PolarHBondContact N-O 3.36Å; E377-I401 HydrophobicContact CG-CB 3.67Å; E377-I401 HydrophobicContact CG-CG1 3.7Å; E377-I401 PolarHBondContact N-O 2.96Å; E377-I401 PolarHBondContact O-N 2.86Å; E377-I401 WeakPolarHBondContact OE1-CG1 3.45Å; I379-I401 HydrophobicContact CD1-CD1 3.92Å; I379-I401 HydrophobicContact CD1-CG1 4.46Å; I379-I401 HydrophobicContact CG2-CG1 4.16Å; I401-K439 HydrophobicContact CD1-CD 4.1Å; I401-K439 VanDerWaalsContact CD1-NZ 3.32Å
402	V	97.3	Very high	94.6	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.7	-176.6	-58.9	0	0	0	0	109.8	T341 A342 V344 F372 E374 L375 L394 A400 M404	T341-V402 WeakPolarHBondContact CA-O 3.35Å; A342-V402 HydrophobicContact CB-CG2 4.5Å; A342-V402 PolarHBondContact N-O 2.89Å; A342-V402 PolarHBondContact O-N 3.49Å; V344-V402 HydrophobicContact CB-CG2 4.15Å; V344-V402 HydrophobicContact CG2-CG2 3.43Å; V344-V402 VanDerWaalsContact CG2-CG2 3.43Å; F372-V402 HydrophobicContact CD1-CB 4.26Å; F372-V402 HydrophobicContact CD1-CG1 4.14Å; F372-V402 HydrophobicContact CD1-CG2 4.26Å; F372-V402 HydrophobicContact CE1-CG1 4.32Å; F372-V402 HydrophobicContact CE1-CG2 4.15Å; E374-V402 WeakPolarHBondContact O-CA 3.44Å; L375-V402 HydrophobicContact CD2-CB 4.4Å; L375-V402 HydrophobicContact CD2-CG1 3.61Å; L394-V402 HydrophobicContact CD1-CG1 4.14Å; A400-V402 HydrophobicContact CB-CG1 4.12Å; V402-M404 HydrophobicContact CG2-CG 3.78Å; V402-M404 HydrophobicContact CG2-SD 3.95Å
403	D	97.9	Very high	94.7	Very high	35 Å²	35	34.5 Å²	34.5	19%	0.187	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	132.2	166.1	-77.1	-4.1	0	0	0	109.3	T341 A373 E374 K376	T341-D403 WeakPolarHBondContact CB-OD1 3.48Å; T341-D403 WeakPolarHBondContact CG2-OD1 3.17Å; T341-D403 PolarHBondContact OG1-OD1 2.61Å; A373-D403 PolarHBondContact N-O 3.49Å; E374-D403 HydrophobicContact CB-CB 4.28Å; E374-D403 PolarHBondContact N-O 3.36Å; E374-D403 PolarHBondContact O-N 3.38Å; K376-D403 WeakPolarHBondContact CE-OD1 3.4Å; K376-D403 WeakPolarHBondContact CE-OD2 3.29Å; K376-D403 IonicContact NZ-OD1 3.79Å; K376-D403 PolarHBondContact NZ-OD1 3.26Å; K376-D403 IonicContact NZ-OD2 2.96Å; K376-D403 PolarHBondContact NZ-OD2 2.95Å
404	M	97.5	Very high	94.6	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.3	-175	-53.3	-167.8	72.5	0	0	110.7	G339 F340 A342 V344 L361 C370 K371 F372 V402 F424	G339-M404 CarbonylContact C-O 3.44Å; G339-M404 WeakPolarHBondContact CA-O 3.39Å; F340-M404 HydrophobicContact CD1-CB 4.49Å; F340-M404 HydrophobicContact CD2-CB 4.07Å; F340-M404 HydrophobicContact CE1-CB 4.07Å; F340-M404 HydrophobicContact CE2-CB 3.6Å; F340-M404 HydrophobicContact CE2-CG 3.96Å; F340-M404 HydrophobicContact CE2-SD 3.72Å; F340-M404 HydrophobicContact CZ-CB 3.6Å; F340-M404 HydrophobicContact CZ-CG 4.34Å; F340-M404 HydrophobicContact CZ-SD 4.12Å; F340-M404 PolarHBondContact N-O 3.23Å; F340-M404 PolarHBondContact O-N 2.9Å; A342-M404 HydrophobicContact CB-SD 4.4Å; V344-M404 HydrophobicContact CG2-SD 4.38Å; L361-M404 HydrophobicContact CD1-CE 3.73Å; L361-M404 HydrophobicContact CD2-CE 3.51Å; L361-M404 HydrophobicContact CD2-SD 3.91Å; L361-M404 HydrophobicContact CG-CE 4.2Å; C370-M404 HydrophobicContact CB-CE 4.14Å; K371-M404 CarbonylContact O-C 3.53Å; K371-M404 VanDerWaalsContact O-CA 3.23Å; K371-M404 WeakPolarHBondContact O-CA 3.46Å; F372-M404 HydrophobicContact CD2-CE 3.58Å; F372-M404 HydrophobicContact CE1-CE 4.39Å; F372-M404 HydrophobicContact CE2-CE 3.26Å; F372-M404 HydrophobicContact CG-CE 4.25Å; F372-M404 HydrophobicContact CZ-CE 3.73Å; V402-M404 HydrophobicContact CG2-CG 3.78Å; V402-M404 HydrophobicContact CG2-SD 3.95Å; M404-F424 HydrophobicContact SD-CE2 4Å; M404-F424 HydrophobicContact SD-CZ 3.83Å
405	I	97.1	Very high	94.4	Very high	83 Å²	83	34.2 Å²	34.2	43%	0.426	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	119.1	179	-62.4	174	0	0	0	108.7	C370 K371 A373 G407	C370-I405 CarbonylContact C-O 3.58Å; C370-I405 WeakPolarHBondContact CA-O 3.25Å; K371-I405 PolarHBondContact N-O 2.98Å; K371-I405 PolarHBondContact O-N 3.44Å; A373-I405 HydrophobicContact CB-CD1 3.64Å; A373-I405 HydrophobicContact CB-CG1 3.86Å; I405-G407 PolarHBondContact O-N 3.41Å
406	P	96.3	Very high	94.2	Very high	17 Å²	17	32.7 Å²	32.7	11%	0.11	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	131.1	172.3	-21.4	32	0	0	0	112.1	F340 I368 K408 M410	F340-P406 HydrophobicContact CD1-CG 4.41Å; F340-P406 HydrophobicContact CE1-CG 4.02Å; I368-P406 HydrophobicContact CG2-CB 4.36Å; P406-K408 VanDerWaalsContact C-N 3.26Å; P406-K408 WeakPolarHBondContact CB-O 3.49Å; P406-K408 PolarHBondContact O-N 3.07Å; P406-M410 HydrophobicContact CB-CB 3.84Å; P406-M410 HydrophobicContact CB-SD 4.5Å; P406-M410 HydrophobicContact CG-CB 3.97Å; P406-M410 HydrophobicContact CG-SD 4.36Å
407	G	93.9	Very high	94.1	Very high	64 Å²	64	34.5 Å²	34.5	66%	0.66	21%	0.211	S	C	*	.	S	Bend	trans	-76	-14.4	173.9	0	0	0	0	0	113.5	A369 I405	A369-G407 WeakPolarHBondContact O-CA 3.41Å; A369-G407 PolarHBondContact O-N 2.78Å; I405-G407 PolarHBondContact O-N 3.41Å
408	K	93.9	Very high	94.2	Very high	139 Å²	139	32.9 Å²	32.9	60%	0.604	19%	0.191	S	C	*	.	S	Bend	trans	-134.9	156.1	170.3	-71	180	178.9	177	0	108.5	I368 P406 M410	I368-K408 HydrophobicContact CD1-CB 4.24Å; I368-K408 HydrophobicContact CG2-CB 4.09Å; P406-K408 VanDerWaalsContact C-N 3.26Å; P406-K408 WeakPolarHBondContact CB-O 3.49Å; P406-K408 PolarHBondContact O-N 3.07Å; K408-M410 PolarHBondContact O-N 2.87Å
409	P	93.2	Very high	93.8	Very high	61 Å²	61	33.8 Å²	33.8	40%	0.396	20%	0.198	S	C	.	.			trans	-49.1	129.4	175.2	-28.9	35.9	0	0	0	111.1	P282 E336	P282-P409 HydrophobicContact CB-CB 3.83Å; P282-P409 VanDerWaalsContact CG-C 3.49Å; P282-P409 HydrophobicContact CG-CB 3.63Å; E336-P409 HydrophobicContact CG-CB 4.32Å
410	M	94.5	Very high	93.3	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	21%	0.208	C	C	.	.			trans	-141.8	145	-176.3	-172.2	-177.2	-177	0	0	109.1	A337 C363 A366 I368 P406 K408 V412	A337-M410 PolarHBondContact N-O 3.25Å; C363-M410 HydrophobicContact CB-CE 3.44Å; C363-M410 VanDerWaalsContact CB-CE 3.44Å; A366-M410 HydrophobicContact CB-CE 4.04Å; A366-M410 HydrophobicContact CB-CG 4.45Å; I368-M410 HydrophobicContact CB-CG 4.5Å; I368-M410 HydrophobicContact CB-SD 4.07Å; I368-M410 HydrophobicContact CG1-CB 4.36Å; I368-M410 HydrophobicContact CG1-CG 4.17Å; I368-M410 HydrophobicContact CG1-SD 4.34Å; I368-M410 HydrophobicContact CG2-SD 4.45Å; P406-M410 HydrophobicContact CB-CB 3.84Å; P406-M410 HydrophobicContact CB-SD 4.5Å; P406-M410 HydrophobicContact CG-CB 3.97Å; P406-M410 HydrophobicContact CG-SD 4.36Å; K408-M410 PolarHBondContact O-N 2.87Å; M410-V412 HydrophobicContact CE-CG1 3.4Å; M410-V412 HydrophobicContact CG-CG1 4.08Å; M410-V412 HydrophobicContact SD-CG1 3.86Å
411	C	94.6	Very high	92.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.208	C	C	.	.			trans	-104.4	125.5	169.4	-179	0	0	0	0	108.3	A281 V325 M335 H364	A281-C411 HydrophobicContact CB-CB 3.87Å; V325-C411 HydrophobicContact CB-CB 4.34Å; V325-C411 HydrophobicContact CG2-CB 4Å; M335-C411 PolarHBondContact O-SG 3.02Å; H364-C411 PolarHBondContact CE1-O 3.28Å
412	V	95.1	Very high	92.6	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.206	C	C	.	.			trans	-141.6	160.5	172.3	-69.9	0	0	0	0	108.9	A337 F340 C363 M410 I438 V441	A337-V412 HydrophobicContact CB-CG2 3.57Å; F340-V412 HydrophobicContact CB-CG2 4.33Å; F340-V412 HydrophobicContact CD1-CG2 3.7Å; F340-V412 HydrophobicContact CE1-CG2 4.2Å; F340-V412 HydrophobicContact CG-CG2 4.09Å; C363-V412 HydrophobicContact CB-CG1 4.47Å; M410-V412 HydrophobicContact CE-CG1 3.4Å; M410-V412 HydrophobicContact CG-CG1 4.08Å; M410-V412 HydrophobicContact SD-CG1 3.86Å; V412-I438 HydrophobicContact CB-CD1 3.49Å; V412-I438 VanDerWaalsContact CB-CD1 3.49Å; V412-I438 HydrophobicContact CG1-CD1 3.79Å; V412-I438 HydrophobicContact CG2-CD1 3.97Å; V412-V441 HydrophobicContact CG2-CG1 4.09Å; V412-V441 HydrophobicContact CG2-CG2 4.01Å
413	E	94.7	Very high	92.4	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.009	21%	0.213	C	C	.	.			trans	-132.9	161.8	-179.6	-64.4	-71.8	-173.6	0	0	110.4	R247 Y418 L421 G422 I438 K443	R247-E413 IonicContact CZ-OE1 2.71Å; R247-E413 VanDerWaalsContact CZ-OE1 3.29Å; R247-E413 IonicContact NE-OE1 3.29Å; R247-E413 PolarHBondContact NE-OE1 3.49Å; R247-E413 IonicContact NH2-OE1 2.65Å; R247-E413 PolarHBondContact NH2-OE1 3.48Å; E413-Y418 HydrophobicContact CB-CD2 3.73Å; E413-Y418 HydrophobicContact CB-CG 4.03Å; E413-Y418 HydrophobicContact CG-CD2 3.74Å; E413-Y418 HydrophobicContact CG-CE2 4.49Å; E413-Y418 HydrophobicContact CG-CG 4.05Å; E413-L421 HydrophobicContact CB-CB 3.82Å; E413-L421 HydrophobicContact CB-CD1 4.41Å; E413-L421 HydrophobicContact CG-CB 4.01Å; E413-L421 HydrophobicContact CG-CD1 3.69Å; E413-G422 WeakPolarHBondContact O-CA 3.38Å; E413-I438 WeakPolarHBondContact O-CB 3.38Å; E413-I438 WeakPolarHBondContact O-CG2 3.49Å; E413-K443 IonicContact OE1-NZ 2.91Å; E413-K443 PolarHBondContact OE1-NZ 3.44Å; E413-K443 WeakPolarHBondContact OE2-CE 3.45Å; E413-K443 IonicContact OE2-NZ 3.85Å; E413-K443 PolarHBondContact OE2-NZ 3.11Å
414	S	93.9	Very high	92.1	Very high	7 Å²	7	35.2 Å²	35.2	5%	0.049	20%	0.204	C	C	.	.			trans	-64.5	145.1	171.5	77.2	0	0	0	0	110.1	S416 D417 Y418	S414-S416 VanDerWaalsContact C-N 3.29Å; S414-S416 PolarHBondContact O-N 3.17Å; S414-S416 PolarHBondContact OG-OG 3.01Å; S414-D417 PolarHBondContact O-N 3.49Å; S414-D417 VanDerWaalsContact OG-CB 3.22Å; S414-D417 WeakPolarHBondContact OG-CB 3.4Å; S414-D417 PolarHBondContact OG-N 3.38Å; S414-D417 PolarHBondContact OG-OD2 2.78Å; S414-Y418 CarbonylContact O-C 3.55Å; S414-Y418 PolarHBondContact O-N 2.77Å
415	F	91	Very high	91.8	Very high	69 Å²	69	35.2 Å²	35.2	30%	0.303	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-31.4	177.9	176.7	-104.3	0	0	0	112.7	P419 R423 V437 I438	F415-P419 HydrophobicContact CD2-CB 4.11Å; F415-P419 HydrophobicContact CE2-CB 3.66Å; F415-P419 HydrophobicContact CZ-CB 4.26Å; F415-P419 VanDerWaalsContact O-CA 3.3Å; F415-P419 WeakPolarHBondContact O-CA 3.18Å; F415-P419 WeakPolarHBondContact O-CD 3.25Å; F415-P419 VanDerWaalsContact O-CG 3.31Å; F415-P419 WeakPolarHBondContact O-CG 3.47Å; F415-R423 HydrophobicContact CD2-CG 3.83Å; F415-R423 HydrophobicContact CE2-CG 3.95Å; F415-R423 VanDerWaalsContact CE2-CZ 3.4Å; F415-R423 VanDerWaalsContact CE2-NH2 3.32Å; F415-V437 HydrophobicContact CB-CB 4.3Å; F415-V437 HydrophobicContact CG-CB 4.32Å; F415-I438 WeakPolarHBondContact CB-O 3.29Å; F415-I438 PolarHBondContact N-O 3.02Å
416	S	89	Confident	91.6	Very high	81 Å²	81	31.2 Å²	31.2	57%	0.566	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-43.2	177.4	51.2	0	0	0	0	111.7	S414	S414-S416 VanDerWaalsContact C-N 3.29Å; S414-S416 PolarHBondContact O-N 3.17Å; S414-S416 PolarHBondContact OG-OG 3.01Å
417	D	89.6	Confident	91.3	Very high	90 Å²	90	31.4 Å²	31.4	48%	0.481	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-45.8	-170.9	-50.2	-21.5	0	0	0	109.2	K244 S414	K244-D417 PolarHBondContact NZ-O 2.96Å; S414-D417 PolarHBondContact O-N 3.49Å; S414-D417 VanDerWaalsContact OG-CB 3.22Å; S414-D417 WeakPolarHBondContact OG-CB 3.4Å; S414-D417 PolarHBondContact OG-N 3.38Å; S414-D417 PolarHBondContact OG-OD2 2.78Å
418	Y	89.1	Confident	91	Very high	12 Å²	12	30.4 Å²	30.4	5%	0.047	16%	0.162	C	C	.	.			trans	-130.7	78.9	-178.9	-59.1	-81.8	0	0	0	111.4	P245 R247 T269 D332 E413 S414 P420 L421 G422	P245-Y418 HydrophobicContact CB-CE1 4.4Å; P245-Y418 WeakPolarHBondContact CB-OH 3.27Å; P245-Y418 WeakPolarHBondContact CD-OH 3.43Å; P245-Y418 WeakPolarHBondContact CG-OH 3.41Å; R247-Y418 HydrophobicContact CG-CD1 3.51Å; R247-Y418 HydrophobicContact CG-CE1 3.67Å; R247-Y418 HydrophobicContact CG-CG 4.25Å; R247-Y418 PolarHBondContact NH2-OH 3.28Å; T269-Y418 HydrophobicContact CG2-CD1 4.27Å; D332-Y418 PolarHBondContact OD2-OH 2.82Å; E413-Y418 HydrophobicContact CB-CD2 3.73Å; E413-Y418 HydrophobicContact CB-CG 4.03Å; E413-Y418 HydrophobicContact CG-CD2 3.74Å; E413-Y418 HydrophobicContact CG-CE2 4.49Å; E413-Y418 HydrophobicContact CG-CG 4.05Å; S414-Y418 CarbonylContact O-C 3.55Å; S414-Y418 PolarHBondContact O-N 2.77Å; Y418-P420 VanDerWaalsContact C-N 3.29Å; Y418-P420 VanDerWaalsContact O-N 3.09Å; Y418-L421 PolarHBondContact O-N 3.34Å; Y418-G422 PolarHBondContact O-N 3.29Å
419	P	85.2	Confident	90.3	Very high	38 Å²	38	30.4 Å²	30.4	25%	0.247	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49	-37.9	-178.7	-25.9	30.4	0	0	0	115.8	F415 L421	F415-P419 HydrophobicContact CD2-CB 4.11Å; F415-P419 HydrophobicContact CE2-CB 3.66Å; F415-P419 HydrophobicContact CZ-CB 4.26Å; F415-P419 VanDerWaalsContact O-CA 3.3Å; F415-P419 WeakPolarHBondContact O-CA 3.18Å; F415-P419 WeakPolarHBondContact O-CD 3.25Å; F415-P419 VanDerWaalsContact O-CG 3.31Å; F415-P419 WeakPolarHBondContact O-CG 3.47Å; P419-L421 VanDerWaalsContact C-N 3.33Å; P419-L421 PolarHBondContact O-N 3.01Å
420	P	82.5	Confident	89.5	Confident	35 Å²	35	35.5 Å²	35.5	23%	0.227	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-28.8	178.4	-24.2	37.3	0	0	0	114.6	E268 Y418	E268-P420 HydrophobicContact CB-CB 3.94Å; E268-P420 HydrophobicContact CB-CG 4.05Å; E268-P420 HydrophobicContact CG-CB 3.9Å; E268-P420 HydrophobicContact CG-CG 4.46Å; E268-P420 VanDerWaalsContact OE2-CB 3.24Å; E268-P420 WeakPolarHBondContact OE2-CB 3.3Å; E268-P420 WeakPolarHBondContact OE2-CG 3.33Å; Y418-P420 VanDerWaalsContact C-N 3.29Å; Y418-P420 VanDerWaalsContact O-N 3.09Å
421	L	87.9	Confident	88.9	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-11.2	-178.1	-72.5	178.2	0	0	0	113.5	R247 P249 V325 C363 H364 E413 Y418 P419	R247-L421 HydrophobicContact CB-CD1 3.85Å; R247-L421 HydrophobicContact CG-CD1 3.71Å; P249-L421 HydrophobicContact CG-CD2 3.88Å; V325-L421 HydrophobicContact CG1-CD1 4.04Å; V325-L421 HydrophobicContact CG2-CD1 4.48Å; V325-L421 HydrophobicContact CG2-CD2 4.08Å; C363-L421 PolarHBondContact SG-O 2.99Å; H364-L421 HydrophobicContact CB-CD2 3.83Å; H364-L421 VanDerWaalsContact CG-CD2 3.46Å; E413-L421 HydrophobicContact CB-CB 3.82Å; E413-L421 HydrophobicContact CB-CD1 4.41Å; E413-L421 HydrophobicContact CG-CB 4.01Å; E413-L421 HydrophobicContact CG-CD1 3.69Å; Y418-L421 PolarHBondContact O-N 3.34Å; P419-L421 VanDerWaalsContact C-N 3.33Å; P419-L421 PolarHBondContact O-N 3.01Å
422	G	91.2	Very high	88.4	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-93.7	9.5	-179.4	0	0	0	0	0	115	E413 Y418 V437 I438	E413-G422 WeakPolarHBondContact O-CA 3.38Å; Y418-G422 PolarHBondContact O-N 3.29Å; G422-V437 CarbonylContact O-C 3.59Å; G422-V437 VanDerWaalsContact O-CA 3.24Å; G422-V437 WeakPolarHBondContact O-CA 3.43Å; G422-I438 PolarHBondContact O-N 3.19Å
423	R	91.8	Very high	88.2	Confident	39 Å²	39	38.8 Å²	38.8	15%	0.147	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	142.9	176.6	-55.1	-166.3	-176	104.9	-6.7	111.2	T142 C363 F415 V437	T142-R423 VanDerWaalsContact O-CB 3.27Å; T142-R423 WeakPolarHBondContact O-CB 3.3Å; T142-R423 WeakPolarHBondContact O-CD 3.36Å; C363-R423 PolarHBondContact SG-O 3.49Å; F415-R423 HydrophobicContact CD2-CG 3.83Å; F415-R423 HydrophobicContact CE2-CG 3.95Å; F415-R423 VanDerWaalsContact CE2-CZ 3.4Å; F415-R423 VanDerWaalsContact CE2-NH2 3.32Å; R423-V437 HydrophobicContact CG-CG1 4.31Å
424	F	92.8	Very high	88.1	Confident	1 Å²	1	38.7 Å²	38.7	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	154.7	177.4	63.1	-87.4	0	0	0	112.6	T142 F340 A342 V344 L361 D362 C363 M404 V426 G436 I438	T142-F424 WeakPolarHBondContact CG2-O 3.49Å; F340-F424 HydrophobicContact CE2-CE1 4.19Å; F340-F424 HydrophobicContact CE2-CZ 4.34Å; A342-F424 HydrophobicContact CB-CE1 3.54Å; A342-F424 HydrophobicContact CB-CZ 3.49Å; A342-F424 VanDerWaalsContact CB-CZ 3.49Å; V344-F424 HydrophobicContact CG2-CE2 4.02Å; V344-F424 HydrophobicContact CG2-CZ 3.67Å; L361-F424 HydrophobicContact CD2-CD2 3.67Å; L361-F424 HydrophobicContact CD2-CE2 3.79Å; L361-F424 HydrophobicContact CD2-CG 4.23Å; L361-F424 HydrophobicContact CD2-CZ 4.45Å; L361-F424 HydrophobicContact CG-CD2 3.81Å; L361-F424 HydrophobicContact CG-CE2 4.21Å; D362-F424 CarbonylContact O-C 3.55Å; D362-F424 VanDerWaalsContact O-CA 3.23Å; D362-F424 WeakPolarHBondContact O-CA 3.19Å; D362-F424 WeakPolarHBondContact O-CB 3.2Å; C363-F424 HydrophobicContact CB-CB 3.83Å; M404-F424 HydrophobicContact SD-CE2 4Å; M404-F424 HydrophobicContact SD-CZ 3.83Å; F424-V426 HydrophobicContact CD2-CG2 3.81Å; F424-V426 HydrophobicContact CE2-CG2 3.6Å; F424-G436 WeakPolarHBondContact CD1-O 3.27Å; F424-G436 PolarHBondContact N-O 2.8Å; F424-G436 PolarHBondContact O-N 2.75Å; F424-I438 HydrophobicContact CD1-CD1 4.17Å; F424-I438 HydrophobicContact CD1-CG1 3.7Å; F424-I438 HydrophobicContact CE1-CD1 4.47Å; F424-I438 HydrophobicContact CE1-CG1 3.65Å
425	A	91.6	Very high	88	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	142.1	166.6	0	0	0	0	0	109.4	L139 L361 D362 T432	L139-A425 HydrophobicContact CD2-CB 3.41Å; L139-A425 VanDerWaalsContact CD2-CB 3.41Å; L361-A425 WeakPolarHBondContact CA-O 3.41Å; D362-A425 PolarHBondContact N-O 2.89Å; D362-A425 PolarHBondContact O-N 3.45Å; A425-T432 HydrophobicContact CB-CG2 4.3Å
426	V	92.8	Very high	88	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.6	175	-175.9	0	0	0	0	107.9	P359 L361 F372 F424 V433 A434	P359-V426 HydrophobicContact CB-CG1 3.58Å; P359-V426 HydrophobicContact CG-CG1 3.28Å; L361-V426 HydrophobicContact CD1-CB 4.42Å; L361-V426 HydrophobicContact CD1-CG1 4.07Å; L361-V426 HydrophobicContact CD1-CG2 4Å; L361-V426 HydrophobicContact CG-CG2 4.19Å; F372-V426 HydrophobicContact CE2-CG1 4.24Å; F372-V426 HydrophobicContact CZ-CG1 4.36Å; F372-V426 HydrophobicContact CZ-CG2 4.36Å; F424-V426 HydrophobicContact CD2-CG2 3.81Å; F424-V426 HydrophobicContact CE2-CG2 3.6Å; V426-V433 HydrophobicContact CB-CG2 4.23Å; V426-V433 HydrophobicContact CG1-CG2 3.79Å; V426-V433 WeakPolarHBondContact O-CG2 3.31Å; V426-V433 PolarHBondContact O-N 3.14Å; V426-A434 HydrophobicContact CB-CB 3.85Å; V426-A434 HydrophobicContact CG2-CB 4.02Å; V426-A434 PolarHBondContact N-O 2.78Å; V426-A434 PolarHBondContact O-N 2.79Å
427	R	88.8	Confident	88.2	Confident	20 Å²	20	34.5 Å²	34.5	8%	0.075	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	137.5	-177.3	-59.1	-166.2	72.1	-127	1.7	111.6	I99 E135 P359 V360 D362 R430 Q431	I99-R427 VanDerWaalsContact CG2-NH2 3.29Å; E135-R427 IonicContact OE1-NE 3.32Å; E135-R427 IonicContact OE1-NH2 2.68Å; P359-R427 WeakPolarHBondContact CB-O 3.01Å; V360-R427 PolarHBondContact N-O 3.16Å; V360-R427 PolarHBondContact O-N 3.01Å; D362-R427 WeakPolarHBondContact OD2-CD 3.38Å; D362-R427 WeakPolarHBondContact OD2-CG 3.16Å; R427-R430 VanDerWaalsContact NH2-C 3.28Å; R427-R430 PolarHBondContact NH2-O 2.92Å; R427-Q431 VanDerWaalsContact CA-O 3.27Å; R427-Q431 WeakPolarHBondContact CA-O 3.13Å
428	D	87.9	Confident	88.5	Confident	44 Å²	44	30.2 Å²	30.2	24%	0.235	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	148.8	176.6	-170.3	11.8	0	0	0	109.3	Y357 P359 R430 Q431 V433	Y357-D428 WeakPolarHBondContact CE2-OD2 3.49Å; Y357-D428 WeakPolarHBondContact OH-CB 3.47Å; Y357-D428 PolarHBondContact OH-OD2 2.83Å; P359-D428 HydrophobicContact CB-CB 4.32Å; D428-R430 PolarHBondContact O-N 2.82Å; D428-Q431 PolarHBondContact N-O 3.45Å; D428-Q431 WeakPolarHBondContact O-CG 3.29Å; D428-Q431 PolarHBondContact O-N 2.94Å; D428-Q431 VanDerWaalsContact O-O 3.05Å; D428-V433 HydrophobicContact CB-CG1 4.03Å; D428-V433 HydrophobicContact CB-CG2 4.08Å
429	M	79.9	Confident	88.8	Confident	139 Å²	139	34.5 Å²	34.5	69%	0.685	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.3	38.1	-176.3	-54.4	-175.8	-156.2	0	0	114	Q431	M429-Q431 VanDerWaalsContact C-N 3.29Å; M429-Q431 PolarHBondContact O-N 3.25Å
430	R	75.4	Confident	89.3	Confident	168 Å²	168	35.1 Å²	35.1	63%	0.634	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	64	21.8	-178	-47.5	-176.3	-173.2	-171	9.2	115.7	D97 R427 D428	D97-R430 IonicContact OD1-CZ 2.77Å; D97-R430 IonicContact OD1-NH1 2.89Å; D97-R430 PolarHBondContact OD1-NH1 2.77Å; R427-R430 VanDerWaalsContact NH2-C 3.28Å; R427-R430 PolarHBondContact NH2-O 2.92Å; D428-R430 PolarHBondContact O-N 2.82Å
431	Q	81.7	Confident	89.9	Confident	65 Å²	65	34.9 Å²	34.9	30%	0.304	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	152.8	174	56.6	175.2	1.5	0	0	111.4	R427 D428 M429 V433	R427-Q431 VanDerWaalsContact CA-O 3.27Å; R427-Q431 WeakPolarHBondContact CA-O 3.13Å; D428-Q431 PolarHBondContact N-O 3.45Å; D428-Q431 WeakPolarHBondContact O-CG 3.29Å; D428-Q431 PolarHBondContact O-N 2.94Å; D428-Q431 VanDerWaalsContact O-O 3.05Å; M429-Q431 VanDerWaalsContact C-N 3.29Å; M429-Q431 PolarHBondContact O-N 3.25Å; Q431-V433 HydrophobicContact CG-CG1 3.98Å; Q431-V433 PolarHBondContact O-N 2.93Å
432	T	85.4	Confident	90.3	Very high	5 Å²	5	40 Å²	40	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	109.8	171.3	-54.9	0	0	0	0	110.1	E135 L138 L139 A425 V435	E135-T432 WeakPolarHBondContact OE1-CB 3.4Å; E135-T432 PolarHBondContact OE1-N 2.99Å; E135-T432 PolarHBondContact OE1-OG1 2.84Å; L138-T432 HydrophobicContact CD2-CG2 4.27Å; L139-T432 HydrophobicContact CD2-CG2 4.05Å; A425-T432 HydrophobicContact CB-CG2 4.3Å; T432-V435 HydrophobicContact CG2-CG1 4.13Å
433	V	90.6	Very high	90.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-27.7	-175.9	-65.5	0	0	0	0	112.8	L347 N348 H349 V426 D428 Q431	L347-V433 PolarHBondContact N-O 2.52Å; N348-V433 PolarHBondContact N-O 2.68Å; H349-V433 HydrophobicContact CB-CB 4.29Å; V426-V433 HydrophobicContact CB-CG2 4.23Å; V426-V433 HydrophobicContact CG1-CG2 3.79Å; V426-V433 WeakPolarHBondContact O-CG2 3.31Å; V426-V433 PolarHBondContact O-N 3.14Å; D428-V433 HydrophobicContact CB-CG1 4.03Å; D428-V433 HydrophobicContact CB-CG2 4.08Å; Q431-V433 HydrophobicContact CG-CG1 3.98Å; Q431-V433 PolarHBondContact O-N 2.93Å
434	A	91.5	Very high	90.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	165.3	176.4	0	0	0	0	0	111.1	V344 I345 I346 V426	V344-A434 HydrophobicContact CG1-CB 3.59Å; I345-A434 VanDerWaalsContact O-CA 3.23Å; I345-A434 WeakPolarHBondContact O-CA 3.22Å; I345-A434 VanDerWaalsContact O-CB 3.32Å; I345-A434 WeakPolarHBondContact O-CB 3.44Å; I346-A434 HydrophobicContact CD1-CB 3.7Å; V426-A434 HydrophobicContact CB-CB 3.85Å; V426-A434 HydrophobicContact CG2-CB 4.02Å; V426-A434 PolarHBondContact N-O 2.78Å; V426-A434 PolarHBondContact O-N 2.79Å
435	V	91.5	Very high	89.2	Confident	16 Å²	16	49.9 Å²	49.9	10%	0.097	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	149.3	175	-65	0	0	0	0	108.5	T142 V344 I345 L347 T432	T142-V435 HydrophobicContact CG2-CB 3.63Å; T142-V435 HydrophobicContact CG2-CG1 3.65Å; T142-V435 WeakPolarHBondContact OG1-CG1 3.35Å; V344-V435 CarbonylContact C-O 3.52Å; V344-V435 WeakPolarHBondContact CA-O 3.47Å; I345-V435 HydrophobicContact CB-CG2 4.22Å; I345-V435 PolarHBondContact N-O 3.47Å; I345-V435 PolarHBondContact O-N 2.79Å; L347-V435 HydrophobicContact CD1-CB 4.45Å; L347-V435 HydrophobicContact CD1-CG1 3.73Å; L347-V435 HydrophobicContact CD1-CG2 4Å; L347-V435 HydrophobicContact CD2-CG2 4.47Å; L347-V435 HydrophobicContact CG-CG2 4.39Å; T432-V435 HydrophobicContact CG2-CG1 4.13Å
436	G	91.8	Very high	87.7	Confident	7 Å²	7	52.7 Å²	52.7	7%	0.072	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	162.3	-175.9	0	0	0	0	0	115.2	Q343 F424	Q343-G436 CarbonylContact O-C 3.34Å; Q343-G436 WeakPolarHBondContact O-CA 3.35Å; F424-G436 WeakPolarHBondContact CD1-O 3.27Å; F424-G436 PolarHBondContact N-O 2.8Å; F424-G436 PolarHBondContact O-N 2.75Å
437	V	93	Very high	86	Confident	45 Å²	45	55.2 Å²	55.2	27%	0.273	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135.4	172	-62.9	0	0	0	0	109.5	A342 Q343 F415 G422 R423	A342-V437 CarbonylContact C-O 3.55Å; A342-V437 VanDerWaalsContact CA-O 3.26Å; A342-V437 WeakPolarHBondContact CA-O 3.34Å; A342-V437 WeakPolarHBondContact CB-O 3.48Å; Q343-V437 HydrophobicContact CB-CG2 3.95Å; Q343-V437 PolarHBondContact N-O 3.32Å; Q343-V437 PolarHBondContact O-N 3.03Å; F415-V437 HydrophobicContact CB-CB 4.3Å; F415-V437 HydrophobicContact CG-CB 4.32Å; G422-V437 CarbonylContact O-C 3.59Å; G422-V437 VanDerWaalsContact O-CA 3.24Å; G422-V437 WeakPolarHBondContact O-CA 3.43Å; R423-V437 HydrophobicContact CG-CG1 4.31Å
438	I	95.9	Very high	84.7	Confident	1 Å²	1	60 Å²	60	1%	0.005	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	124.4	-178.8	-56.6	179.8	0	0	0	108	F340 V412 E413 F415 G422 F424 V441	F340-I438 HydrophobicContact CB-CG2 4.02Å; F340-I438 HydrophobicContact CD2-CD1 4.13Å; F340-I438 HydrophobicContact CD2-CG1 4.01Å; F340-I438 HydrophobicContact CD2-CG2 4.18Å; F340-I438 HydrophobicContact CE2-CD1 4.27Å; F340-I438 HydrophobicContact CE2-CG1 4.25Å; F340-I438 HydrophobicContact CG-CG2 4.41Å; V412-I438 HydrophobicContact CB-CD1 3.49Å; V412-I438 VanDerWaalsContact CB-CD1 3.49Å; V412-I438 HydrophobicContact CG1-CD1 3.79Å; V412-I438 HydrophobicContact CG2-CD1 3.97Å; E413-I438 WeakPolarHBondContact O-CB 3.38Å; E413-I438 WeakPolarHBondContact O-CG2 3.49Å; F415-I438 WeakPolarHBondContact CB-O 3.29Å; F415-I438 PolarHBondContact N-O 3.02Å; G422-I438 PolarHBondContact O-N 3.19Å; F424-I438 HydrophobicContact CD1-CD1 4.17Å; F424-I438 HydrophobicContact CD1-CG1 3.7Å; F424-I438 HydrophobicContact CE1-CD1 4.47Å; F424-I438 HydrophobicContact CE1-CG1 3.65Å; I438-V441 HydrophobicContact CG2-CG2 3.56Å
439	K	94.6	Very high	84	Confident	102 Å²	102	59.2 Å²	59.2	44%	0.443	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-39.9	178.7	-72.1	-169.1	168.4	-179.9	0	111.9	T341 Q343 I401	T341-K439 PolarHBondContact O-N 3.39Å; Q343-K439 HydrophobicContact CB-CD 4.49Å; I401-K439 HydrophobicContact CD1-CD 4.1Å; I401-K439 VanDerWaalsContact CD1-NZ 3.32Å
440	A	96.4	Very high	84.2	Confident	50 Å²	50	57.3 Å²	57.3	41%	0.413	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	150.2	-179.3	0	0	0	0	0	109.9	F340 T341	F340-A440 CarbonylContact C-O 3.5Å; F340-A440 WeakPolarHBondContact CA-O 3.05Å; F340-A440 VanDerWaalsContact CB-O 3.32Å; F340-A440 WeakPolarHBondContact CB-O 3.38Å; T341-A440 PolarHBondContact N-O 3Å; T341-A440 PolarHBondContact O-N 3.31Å
441	V	96.2	Very high	84.6	Confident	30 Å²	30	52.3 Å²	52.3	18%	0.182	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	128.4	178.7	-177.9	0	0	0	0	108.4	A337 F340 V412 I438 K443	A337-V441 HydrophobicContact CB-CG1 3.68Å; F340-V441 HydrophobicContact CB-CB 4.42Å; F340-V441 HydrophobicContact CB-CG1 4.46Å; F340-V441 HydrophobicContact CB-CG2 4.06Å; V412-V441 HydrophobicContact CG2-CG1 4.09Å; V412-V441 HydrophobicContact CG2-CG2 4.01Å; I438-V441 HydrophobicContact CG2-CG2 3.56Å; V441-K443 HydrophobicContact CG1-CG 4Å; V441-K443 PolarHBondContact O-N 3.12Å
442	D	95.1	Very high	84.9	Confident	107 Å²	107	49.4 Å²	49.4	57%	0.572	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	104.7	165.4	-177.6	19.9	0	0	0	108.2	A337 A338 G339	A337-D442 CarbonylContact C-O 3.57Å; A338-D442 HydrophobicContact CB-CB 4.42Å; A338-D442 PolarHBondContact N-O 3.18Å; G339-D442 PolarHBondContact O-N 3.4Å
443	K	92	Very high	84.8	Confident	59 Å²	59	56.7 Å²	56.7	26%	0.257	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	128.7	-177.3	-67.5	-179.7	175.1	-173.3	0	108.9	M335 E336 E413 V441 A445	M335-K443 HydrophobicContact CB-CB 4.11Å; M335-K443 HydrophobicContact CB-CD 4.04Å; M335-K443 HydrophobicContact CB-CG 4.19Å; M335-K443 HydrophobicContact CG-CD 4.26Å; M335-K443 HydrophobicContact SD-CB 4.03Å; M335-K443 HydrophobicContact SD-CD 3.84Å; M335-K443 HydrophobicContact SD-CG 4.47Å; E336-K443 WeakPolarHBondContact O-CA 3.47Å; E413-K443 IonicContact OE1-NZ 2.91Å; E413-K443 PolarHBondContact OE1-NZ 3.44Å; E413-K443 WeakPolarHBondContact OE2-CE 3.45Å; E413-K443 IonicContact OE2-NZ 3.85Å; E413-K443 PolarHBondContact OE2-NZ 3.11Å; V441-K443 HydrophobicContact CG1-CG 4Å; V441-K443 PolarHBondContact O-N 3.12Å; K443-A445 PolarHBondContact O-N 2.89Å
444	K	88	Confident	84.4	Confident	98 Å²	98	57 Å²	57	43%	0.426	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-63.2	131.4	171.3	-71.7	-170.7	-176.3	169.2	0	109.3	M335 E336 A338 G446	M335-K444 WeakPolarHBondContact CE-O 3.47Å; E336-K444 HydrophobicContact CB-CB 4.45Å; E336-K444 HydrophobicContact CG-CD 4.13Å; E336-K444 PolarHBondContact O-N 3.46Å; E336-K444 WeakPolarHBondContact OE1-CE 3.41Å; E336-K444 IonicContact OE1-NZ 3.95Å; E336-K444 PolarHBondContact OE1-NZ 3.41Å; E336-K444 IonicContact OE2-NZ 3.45Å; A338-K444 HydrophobicContact CB-CG 3.68Å; K444-G446 PolarHBondContact O-N 3.48Å
445	A	72.8	Confident	83.9	Confident	92 Å²	92	57 Å²	57	76%	0.76	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-51.2	132.3	170.5	0	0	0	0	0	109.5	K443 G447	K443-A445 PolarHBondContact O-N 2.89Å; A445-G447 PolarHBondContact O-N 3.32Å
446	G	61.1	Low	83.6	Confident	58 Å²	58	60.9 Å²	60.9	60%	0.598	37%	0.374	S	S	*	.			trans	-55.5	102.4	-174.1	0	0	0	0	0	111.2	K444	K444-G446 PolarHBondContact O-N 3.48Å
447	G	57.2	Low	83.2	Confident	54 Å²	54	68 Å²	68	56%	0.557	40%	0.404	S	S	*	.			trans	-68	-177.7	176.7	0	0	0	0	0	112.1	N284 A445 G449	N284-G447 PolarHBondContact ND2-O 3.38Å; A445-G447 PolarHBondContact O-N 3.32Å; G447-G449 VanDerWaalsContact C-N 3.28Å; G447-G449 PolarHBondContact O-N 3.03Å
448	A	61	Low	82.6	Confident	120 Å²	120	66.7 Å²	66.7	99%	0.992	40%	0.398	S	S	*	.	S	Bend	trans	-60.6	85.9	176.3	0	0	0	0	0	111.6
449	G	72.2	Confident	82	Confident	28 Å²	28	70 Å²	70	29%	0.289	41%	0.413	S	S	.	.			trans	-80.3	155.2	176.6	0	0	0	0	0	112.3	N284 G447 V451	N284-G449 WeakPolarHBondContact ND2-CA 3.24Å; N284-G449 PolarHBondContact ND2-N 3.23Å; N284-G449 CarbonylContact O-C 3.59Å; N284-G449 WeakPolarHBondContact O-CA 3.38Å; G447-G449 VanDerWaalsContact C-N 3.28Å; G447-G449 PolarHBondContact O-N 3.03Å; G449-V451 PolarHBondContact O-N 2.84Å
450	K	84.3	Confident	81.2	Confident	98 Å²	98	73.6 Å²	73.6	43%	0.426	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	103	174.3	179.2	-180	170.8	-177.6	0	109.2	N284 V285 T286 N314 D319	N284-K450 PolarHBondContact O-N 3.23Å; V285-K450 WeakPolarHBondContact CA-O 3.48Å; V285-K450 HydrophobicContact CG2-CB 4.38Å; T286-K450 PolarHBondContact N-O 3.09Å; N314-K450 PolarHBondContact O-NZ 3.37Å; D319-K450 IonicContact OD2-NZ 2.75Å; D319-K450 PolarHBondContact OD2-NZ 3.42Å
451	V	85.4	Confident	79.8	Confident	63 Å²	63	75.3 Å²	75.3	38%	0.382	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	117.3	168.3	-171.8	0	0	0	0	109.1	T286 G449 A455 Q456	T286-V451 HydrophobicContact CG2-CG1 4.45Å; G449-V451 PolarHBondContact O-N 2.84Å; V451-A455 HydrophobicContact CG1-CB 3.9Å; V451-Q456 HydrophobicContact CG1-CG 3.92Å
452	T	86.1	Confident	77.7	Confident	5 Å²	5	84.9 Å²	84.9	3%	0.031	48%	0.482	C	S	.	.			trans	-71.4	154.3	-179.7	63.1	0	0	0	0	112.2	T286 T287 N314 V315 S454 A455 Q456	T286-T452 WeakPolarHBondContact O-CG2 3.37Å; T286-T452 PolarHBondContact O-N 3.05Å; T286-T452 PolarHBondContact O-OG1 2.67Å; T286-T452 VanDerWaalsContact O-OG1 3.1Å; T287-T452 WeakPolarHBondContact CA-OG1 3.34Å; T287-T452 PolarHBondContact OG1-OG1 2.95Å; N314-T452 HydrophobicContact CB-CG2 4.06Å; V315-T452 HydrophobicContact CG2-CG2 3.86Å; T452-S454 WeakPolarHBondContact CB-OG 3.43Å; T452-S454 PolarHBondContact O-N 2.81Å; T452-S454 PolarHBondContact OG1-OG 3.44Å; T452-A455 WeakPolarHBondContact O-CB 3.22Å; T452-A455 PolarHBondContact O-N 2.99Å; T452-A455 VanDerWaalsContact O-N 3.09Å; T452-A455 PolarHBondContact OG1-N 2.97Å; T452-Q456 PolarHBondContact O-N 3.1Å; T452-Q456 VanDerWaalsContact O-N 3.07Å
453	K	84.9	Confident	76.8	Confident	157 Å²	157	83.8 Å²	83.8	68%	0.683	48%	0.478	S	S	*	.	H	α-helix	trans	-56.1	-32.1	173.3	-66.6	-174	-179.7	-179.1	0	112.7	K457	K453-K457 WeakPolarHBondContact O-CG 3.37Å; K453-K457 PolarHBondContact O-N 3.36Å
454	S	82.1	Confident	76	Confident	8 Å²	8	85.1 Å²	85.1	6%	0.056	49%	0.489	C	S	.	.	H	α-helix	trans	-64.4	-48.5	175.1	22.8	0	0	0	0	111.6	K313 N314 T452 Q456 K457 A458	K313-S454 PolarHBondContact O-OG 2.88Å; N314-S454 PolarHBondContact ND2-OG 3.26Å; T452-S454 WeakPolarHBondContact CB-OG 3.43Å; T452-S454 PolarHBondContact O-N 2.81Å; T452-S454 PolarHBondContact OG1-OG 3.44Å; S454-Q456 VanDerWaalsContact C-N 3.35Å; S454-Q456 PolarHBondContact O-N 2.82Å; S454-K457 PolarHBondContact O-N 3.46Å; S454-A458 PolarHBondContact O-N 3.1Å
455	A	80.8	Confident	75.4	Confident	0 Å²	0	84.4 Å²	84.4	0%	0	49%	0.493	C	S	.	.	H	α-helix	trans	-58.8	-45.4	174.6	0	0	0	0	0	112.1	V277 T286 V451 T452 K457 A458 Q459	V277-A455 HydrophobicContact CG1-CB 3.74Å; T286-A455 HydrophobicContact CG2-CB 4.04Å; V451-A455 HydrophobicContact CG1-CB 3.9Å; T452-A455 WeakPolarHBondContact O-CB 3.22Å; T452-A455 PolarHBondContact O-N 2.99Å; T452-A455 VanDerWaalsContact O-N 3.09Å; T452-A455 PolarHBondContact OG1-N 2.97Å; A455-K457 VanDerWaalsContact C-N 3.3Å; A455-K457 PolarHBondContact O-N 2.94Å; A455-A458 PolarHBondContact O-N 3.31Å; A455-Q459 WeakPolarHBondContact O-CB 3.42Å; A455-Q459 VanDerWaalsContact O-CG 3.3Å; A455-Q459 WeakPolarHBondContact O-CG 3.36Å; A455-Q459 PolarHBondContact O-N 2.82Å
456	Q	85.7	Confident	75.5	Confident	96 Å²	96	83.9 Å²	83.9	45%	0.449	48%	0.477	S	S	.	.	H	α-helix	trans	-59.4	-39.9	177.6	-68.2	175.9	-19.4	0	0	112.4	V451 T452 S454 K460	V451-Q456 HydrophobicContact CG1-CG 3.92Å; T452-Q456 PolarHBondContact O-N 3.1Å; T452-Q456 VanDerWaalsContact O-N 3.07Å; S454-Q456 VanDerWaalsContact C-N 3.35Å; S454-Q456 PolarHBondContact O-N 2.82Å; Q456-K460 WeakPolarHBondContact O-CG 3.49Å; Q456-K460 PolarHBondContact O-N 3.31Å
457	K	83.1	Confident	76.4	Confident	157 Å²	157	85.6 Å²	85.6	68%	0.683	47%	0.47	S	S	*	.	H	α-helix	trans	-67.6	-47.1	176.3	-75.8	-178.5	178.7	-169.2	0	111.7	K453 S454 A455 Q459 K460 A461	K453-K457 WeakPolarHBondContact O-CG 3.37Å; K453-K457 PolarHBondContact O-N 3.36Å; S454-K457 PolarHBondContact O-N 3.46Å; A455-K457 VanDerWaalsContact C-N 3.3Å; A455-K457 PolarHBondContact O-N 2.94Å; K457-Q459 VanDerWaalsContact C-N 3.28Å; K457-Q459 PolarHBondContact O-N 3.48Å; K457-K460 PolarHBondContact O-N 3.33Å; K457-K460 VanDerWaalsContact O-N 3.15Å; K457-A461 PolarHBondContact O-N 2.77Å
458	A	80.4	Confident	77.7	Confident	18 Å²	18	87.7 Å²	87.7	15%	0.149	46%	0.464	C	S	.	.	H	α-helix	trans	-64.4	-33	179.3	0	0	0	0	0	112.8	V277 E288 S454 A455 K460	V277-A458 HydrophobicContact CG2-CB 3.66Å; E288-A458 HydrophobicContact CB-CB 4.32Å; E288-A458 HydrophobicContact CG-CB 3.74Å; S454-A458 PolarHBondContact O-N 3.1Å; A455-A458 PolarHBondContact O-N 3.31Å; A458-K460 VanDerWaalsContact C-N 3.34Å
459	Q	82	Confident	78.9	Confident	71 Å²	71	85.4 Å²	85.4	33%	0.332	43%	0.426	S	S	.	.	H	α-helix	trans	-68.8	-29	174.4	-75.3	175.4	-21.4	0	0	113.3	V277 A455 K457	V277-Q459 HydrophobicContact CG2-CG 4.18Å; A455-Q459 WeakPolarHBondContact O-CB 3.42Å; A455-Q459 VanDerWaalsContact O-CG 3.3Å; A455-Q459 WeakPolarHBondContact O-CG 3.36Å; A455-Q459 PolarHBondContact O-N 2.82Å; K457-Q459 VanDerWaalsContact C-N 3.28Å; K457-Q459 PolarHBondContact O-N 3.48Å
460	K	78.2	Confident	79.4	Confident	176 Å²	176	89.8 Å²	89.8	77%	0.765	44%	0.437	S	S	*	.	H	α-helix	trans	-86.4	-17.1	178.6	-71.7	179.1	179.8	-171	0	114.5	Q456 K457 A458 K462	Q456-K460 WeakPolarHBondContact O-CG 3.49Å; Q456-K460 PolarHBondContact O-N 3.31Å; K457-K460 PolarHBondContact O-N 3.33Å; K457-K460 VanDerWaalsContact O-N 3.15Å; A458-K460 VanDerWaalsContact C-N 3.34Å; K460-K462 VanDerWaalsContact C-N 3.31Å
461	A	67.6	Low	79	Confident	87 Å²	87	89.1 Å²	89.1	72%	0.719	44%	0.438	S	S	*	.			trans	-85.6	0.2	-174.9	0	0	0	0	0	114.1	K457	K457-A461 PolarHBondContact O-N 2.77Å
462	K	51.7	Low	78.4	Confident	231 Å²	231	91.5 Å²	91.5	100%	1.004	44%	0.443	S	S	*	.			trans	-118.2	0	168.4	-71.8	-173.5	176	-174	0	107.6	K460	K460-K462 VanDerWaalsContact C-N 3.31Å

Retrieved 462 of 462 residues in 221 ms (Link to these results)

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