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Hexokinase-2

Catalyzes the phosphorylation of hexose, such as D-glucose and D-fructose, to hexose 6-phosphate (D-glucose 6-phosphate and D-fructose 6-phosphate, respectively). Mediates the initial step of glycolysis by catalyzing phosphorylation of D-glucose to D-glucose 6-phosphate. Plays a key role in maintaining the integrity of the outer mitochondrial membrane by preventing the release of apoptogenic molecules from the intermembrane space and subsequent apoptosis.

AlphaFold DB , UniProt , Accession A0A096MS63, Species PAPAN (Papio anubis, Olive baboon), Gene HK2, Length 917 aa.

						>A0A096MS63_PAPAN|A0A096MS63|HK2
MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVTLIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKCLHKTVRRLVPDCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEPLQLSHDQLLEVKRRMKVEMERGLSKETHAIAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDKIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	47.4	Very low	48.2	Very low	186 Å²	186	107.8 Å²	107.8	92%	0.916	56%	0.563	S	S	*	*				0	-45.6	0	-85.3	-160.5	-80.2	0	0	113.4	S4 H5	M1-S4 WeakPolarHBondContact CA-OG 3.31Å; M1-S4 PolarHBondContact O-N 3.27Å; M1-S4 PolarHBondContact O-OG 3.13Å; M1-H5 PolarHBondContact O-CD2 3.39Å; M1-H5 PolarHBondContact O-N 3.41Å; M1-H5 VanDerWaalsContact O-N 3.14Å
2	I	46.9	Very low	49.1	Very low	140 Å²	140	106 Å²	106	72%	0.718	56%	0.56	S	S	*	*	H	α-helix	trans	-66.8	-42.6	179.4	-64.6	170.2	0	0	0	112.5	S4 H5 L6	I2-S4 PolarHBondContact O-N 2.76Å; I2-H5 PolarHBondContact O-N 3.36Å; I2-L6 HydrophobicContact CG2-CD1 3.87Å; I2-L6 WeakPolarHBondContact O-CB 3.21Å; I2-L6 PolarHBondContact O-N 3Å
3	A	44.9	Very low	49.8	Very low	69 Å²	69	105.3 Å²	105.3	57%	0.57	55%	0.552	S	S	*	*	H	α-helix	trans	-64	-36	177.1	0	0	0	0	0	113.5	L7	A3-L7 WeakPolarHBondContact O-CB 3.37Å; A3-L7 WeakPolarHBondContact O-CD1 3.39Å; A3-L7 WeakPolarHBondContact O-CG 3.39Å; A3-L7 PolarHBondContact O-N 2.91Å
4	S	42.6	Very low	50.5	Low	69 Å²	69	102.9 Å²	102.9	48%	0.483	54%	0.539	S	S	.	.	H	α-helix	trans	-72.1	-33.6	176.6	49.5	0	0	0	0	112.5	M1 I2 A8	M1-S4 WeakPolarHBondContact CA-OG 3.31Å; M1-S4 PolarHBondContact O-N 3.27Å; M1-S4 PolarHBondContact O-OG 3.13Å; I2-S4 PolarHBondContact O-N 2.76Å; S4-A8 VanDerWaalsContact O-CB 3.29Å; S4-A8 WeakPolarHBondContact O-CB 3.5Å; S4-A8 PolarHBondContact O-N 3.42Å
5	H	46.3	Very low	51.5	Low	134 Å²	134	99.1 Å²	99.1	62%	0.62	52%	0.52	S	S	*	.	H	α-helix	trans	-74.3	-36.6	173.9	-80.1	-66.2	0	0	0	112.9	M1 I2 A8 Y9	M1-H5 PolarHBondContact O-CD2 3.39Å; M1-H5 PolarHBondContact O-N 3.41Å; M1-H5 VanDerWaalsContact O-N 3.14Å; I2-H5 PolarHBondContact O-N 3.36Å; H5-A8 PolarHBondContact O-N 3.32Å; H5-Y9 VanDerWaalsContact O-CB 3.29Å; H5-Y9 WeakPolarHBondContact O-CB 3.23Å; H5-Y9 PolarHBondContact O-N 2.54Å
6	L	46.2	Very low	52.7	Low	91 Å²	91	100.3 Å²	100.3	48%	0.476	52%	0.521	S	S	.	.	H	α-helix	trans	-66.7	-42.8	173.3	-98.1	151.2	0	0	0	112.1	I2 Y9 F10	I2-L6 HydrophobicContact CG2-CD1 3.87Å; I2-L6 WeakPolarHBondContact O-CB 3.21Å; I2-L6 PolarHBondContact O-N 3Å; L6-Y9 PolarHBondContact O-N 3.11Å; L6-F10 HydrophobicContact CD2-CD2 4.39Å; L6-F10 HydrophobicContact CD2-CE2 4.33Å; L6-F10 WeakPolarHBondContact O-CB 3.36Å; L6-F10 WeakPolarHBondContact O-CD2 3.26Å; L6-F10 PolarHBondContact O-N 3.26Å
7	L	49.3	Very low	54.2	Low	102 Å²	102	98.6 Å²	98.6	53%	0.534	51%	0.513	S	S	.	.	H	α-helix	trans	-61.5	-47.3	172.7	-83.7	157.6	0	0	0	110.9	A3 Y9 F10 F11	A3-L7 WeakPolarHBondContact O-CB 3.37Å; A3-L7 WeakPolarHBondContact O-CD1 3.39Å; A3-L7 WeakPolarHBondContact O-CG 3.39Å; A3-L7 PolarHBondContact O-N 2.91Å; L7-Y9 VanDerWaalsContact C-N 3.33Å; L7-Y9 PolarHBondContact O-N 3.35Å; L7-F10 PolarHBondContact O-N 2.78Å; L7-F11 HydrophobicContact CB-CD2 4.43Å; L7-F11 HydrophobicContact CB-CE2 4.45Å; L7-F11 HydrophobicContact CD2-CE2 3.88Å; L7-F11 WeakPolarHBondContact O-CB 3.34Å; L7-F11 WeakPolarHBondContact O-CD2 3.45Å; L7-F11 PolarHBondContact O-N 2.91Å
8	A	52.1	Low	55.8	Low	52 Å²	52	94.2 Å²	94.2	43%	0.43	49%	0.489	S	S	.	.	H	α-helix	trans	-59.7	-41.8	176.8	0	0	0	0	0	112.4	S4 H5 F11 T12	S4-A8 VanDerWaalsContact O-CB 3.29Å; S4-A8 WeakPolarHBondContact O-CB 3.5Å; S4-A8 PolarHBondContact O-N 3.42Å; H5-A8 PolarHBondContact O-N 3.32Å; A8-F11 PolarHBondContact O-N 3Å; A8-T12 PolarHBondContact O-N 2.82Å; A8-T12 PolarHBondContact O-OG1 3.47Å
9	Y	48.2	Very low	57.5	Low	130 Å²	130	91.2 Å²	91.2	51%	0.51	48%	0.476	S	S	.	.	H	α-helix	trans	-64.2	-46.6	176.5	-175.3	-90.6	0	0	0	112.3	H5 L6 L7 T12 E13	H5-Y9 VanDerWaalsContact O-CB 3.29Å; H5-Y9 WeakPolarHBondContact O-CB 3.23Å; H5-Y9 PolarHBondContact O-N 2.54Å; L6-Y9 PolarHBondContact O-N 3.11Å; L7-Y9 VanDerWaalsContact C-N 3.33Å; L7-Y9 PolarHBondContact O-N 3.35Å; Y9-T12 VanDerWaalsContact C-OG1 3.28Å; Y9-T12 VanDerWaalsContact CA-OG1 3.23Å; Y9-T12 WeakPolarHBondContact CA-OG1 3.22Å; Y9-T12 PolarHBondContact O-N 2.81Å; Y9-T12 PolarHBondContact O-OG1 3.33Å; Y9-E13 HydrophobicContact CD1-CG 4.48Å; Y9-E13 HydrophobicContact CE1-CG 3.92Å; Y9-E13 WeakPolarHBondContact CE1-OE1 3.37Å; Y9-E13 PolarHBondContact O-N 3.14Å; Y9-E13 PolarHBondContact OH-OE1 3.4Å
10	F	52.2	Low	59.1	Low	117 Å²	117	90.8 Å²	90.8	51%	0.513	47%	0.471	S	S	.	.	H	α-helix	trans	-60.9	-44.8	175.2	-101.9	-87	0	0	0	112.1	L6 L7 T12 E13 L14	L6-F10 HydrophobicContact CD2-CD2 4.39Å; L6-F10 HydrophobicContact CD2-CE2 4.33Å; L6-F10 WeakPolarHBondContact O-CB 3.36Å; L6-F10 WeakPolarHBondContact O-CD2 3.26Å; L6-F10 PolarHBondContact O-N 3.26Å; L7-F10 PolarHBondContact O-N 2.78Å; F10-T12 VanDerWaalsContact C-N 3.31Å; F10-T12 PolarHBondContact O-N 2.86Å; F10-E13 PolarHBondContact O-N 2.99Å; F10-L14 WeakPolarHBondContact O-CB 3.38Å; F10-L14 WeakPolarHBondContact O-CD1 3.24Å; F10-L14 WeakPolarHBondContact O-CG 3.4Å; F10-L14 PolarHBondContact O-N 3.28Å
11	F	54.3	Low	60.6	Low	96 Å²	96	91.3 Å²	91.3	42%	0.421	47%	0.47	S	S	.	.	H	α-helix	trans	-64	-35.3	175.9	-80.4	-65.9	0	0	0	111.9	L7 A8 N15	L7-F11 HydrophobicContact CB-CD2 4.43Å; L7-F11 HydrophobicContact CB-CE2 4.45Å; L7-F11 HydrophobicContact CD2-CE2 3.88Å; L7-F11 WeakPolarHBondContact O-CB 3.34Å; L7-F11 WeakPolarHBondContact O-CD2 3.45Å; L7-F11 PolarHBondContact O-N 2.91Å; A8-F11 PolarHBondContact O-N 3Å; F11-N15 VanDerWaalsContact O-CB 3.29Å; F11-N15 WeakPolarHBondContact O-CB 3.23Å; F11-N15 PolarHBondContact O-N 2.87Å; F11-N15 VanDerWaalsContact O-N 3.08Å; F11-N15 PolarHBondContact O-ND2 3.33Å
12	T	58.7	Low	62.9	Low	86 Å²	86	82.4 Å²	82.4	53%	0.528	43%	0.426	S	S	.	.	H	α-helix	trans	-68.7	-39.1	173.4	41	0	0	0	0	113.4	A8 Y9 F10 H16	A8-T12 PolarHBondContact O-N 2.82Å; A8-T12 PolarHBondContact O-OG1 3.47Å; Y9-T12 VanDerWaalsContact C-OG1 3.28Å; Y9-T12 VanDerWaalsContact CA-OG1 3.23Å; Y9-T12 WeakPolarHBondContact CA-OG1 3.22Å; Y9-T12 PolarHBondContact O-N 2.81Å; Y9-T12 PolarHBondContact O-OG1 3.33Å; F10-T12 VanDerWaalsContact C-N 3.31Å; F10-T12 PolarHBondContact O-N 2.86Å; T12-H16 WeakPolarHBondContact O-CB 3.43Å; T12-H16 PolarHBondContact O-N 2.7Å
13	E	59.1	Low	65.2	Low	97 Å²	97	76.9 Å²	76.9	45%	0.453	40%	0.398	S	S	.	.	H	α-helix	trans	-69.1	-43.2	176.1	-82	-168.5	164.5	0	0	112.4	Y9 F10 N15 H16 D17	Y9-E13 HydrophobicContact CD1-CG 4.48Å; Y9-E13 HydrophobicContact CE1-CG 3.92Å; Y9-E13 WeakPolarHBondContact CE1-OE1 3.37Å; Y9-E13 PolarHBondContact O-N 3.14Å; Y9-E13 PolarHBondContact OH-OE1 3.4Å; F10-E13 PolarHBondContact O-N 2.99Å; E13-N15 PolarHBondContact O-N 3.28Å; E13-H16 WeakPolarHBondContact O-CB 3.46Å; E13-H16 PolarHBondContact O-N 2.82Å; E13-H16 VanDerWaalsContact O-N 3.11Å; E13-D17 PolarHBondContact O-N 3.02Å
14	L	59.2	Low	67.5	Low	72 Å²	72	80.4 Å²	80.4	38%	0.377	40%	0.403	S	S	.	.	H	α-helix	trans	-61.6	-43.5	176.1	-78.9	157.1	0	0	0	111.9	F10 H16 D17 Q18	F10-L14 WeakPolarHBondContact O-CB 3.38Å; F10-L14 WeakPolarHBondContact O-CD1 3.24Å; F10-L14 WeakPolarHBondContact O-CG 3.4Å; F10-L14 PolarHBondContact O-N 3.28Å; L14-H16 VanDerWaalsContact C-N 3.28Å; L14-H16 PolarHBondContact O-N 3.03Å; L14-D17 PolarHBondContact O-N 3.44Å; L14-Q18 PolarHBondContact O-N 2.68Å; L14-Q18 VanDerWaalsContact O-N 3.1Å
15	N	65.9	Low	70.1	Confident	46 Å²	46	80.1 Å²	80.1	25%	0.246	39%	0.392	C	S	.	.	H	α-helix	trans	-63.7	-35.8	174.2	-70.7	-21.1	0	0	0	111.7	F11 E13 V19	F11-N15 VanDerWaalsContact O-CB 3.29Å; F11-N15 WeakPolarHBondContact O-CB 3.23Å; F11-N15 PolarHBondContact O-N 2.87Å; F11-N15 VanDerWaalsContact O-N 3.08Å; F11-N15 PolarHBondContact O-ND2 3.33Å; E13-N15 PolarHBondContact O-N 3.28Å; N15-V19 VanDerWaalsContact O-CG2 3.26Å; N15-V19 WeakPolarHBondContact O-CG2 3.48Å; N15-V19 PolarHBondContact O-N 3.37Å
16	H	69.5	Low	72.5	Confident	118 Å²	118	74 Å²	74	55%	0.546	36%	0.363	S	S	.	.	H	α-helix	trans	-67.9	-42.1	177.9	-165.3	64.8	0	0	0	111.9	T12 E13 L14 V19 Q20	T12-H16 WeakPolarHBondContact O-CB 3.43Å; T12-H16 PolarHBondContact O-N 2.7Å; E13-H16 WeakPolarHBondContact O-CB 3.46Å; E13-H16 PolarHBondContact O-N 2.82Å; E13-H16 VanDerWaalsContact O-N 3.11Å; L14-H16 VanDerWaalsContact C-N 3.28Å; L14-H16 PolarHBondContact O-N 3.03Å; H16-V19 PolarHBondContact O-N 3.42Å; H16-Q20 PolarHBondContact CD2-NE2 3.37Å; H16-Q20 VanDerWaalsContact CD2-NE2 3.28Å; H16-Q20 PolarHBondContact NE2-NE2 3.04Å; H16-Q20 WeakPolarHBondContact O-CG 3.44Å; H16-Q20 PolarHBondContact O-N 3.15Å; H16-Q20 VanDerWaalsContact O-N 3.08Å
17	D	79.2	Confident	74.9	Confident	72 Å²	72	77.2 Å²	77.2	39%	0.385	37%	0.37	S	S	.	.	H	α-helix	trans	-63	-45.1	177	-173.5	51.5	0	0	0	111.8	E13 L14 V19 Q20 K21	E13-D17 PolarHBondContact O-N 3.02Å; L14-D17 PolarHBondContact O-N 3.44Å; D17-V19 PolarHBondContact O-N 2.68Å; D17-Q20 PolarHBondContact O-N 3.02Å; D17-K21 WeakPolarHBondContact O-CG 3.29Å; D17-K21 PolarHBondContact O-N 2.69Å; D17-K21 WeakPolarHBondContact OD2-CE 3.5Å; D17-K21 IonicContact OD2-NZ 3.52Å; D17-K21 PolarHBondContact OD2-NZ 2.89Å
18	Q	82.3	Confident	77	Confident	18 Å²	18	78.9 Å²	78.9	8%	0.084	38%	0.375	C	S	.	.	H	α-helix	trans	-66.3	-38.3	179.5	-167.6	62.8	8	0	0	112.6	L14 Q20 K21 V22 E366 A370	L14-Q18 PolarHBondContact O-N 2.68Å; L14-Q18 VanDerWaalsContact O-N 3.1Å; Q18-Q20 VanDerWaalsContact C-N 3.34Å; Q18-K21 PolarHBondContact O-N 3.37Å; Q18-V22 WeakPolarHBondContact O-CG2 3.47Å; Q18-V22 PolarHBondContact O-N 3.24Å; Q18-V22 VanDerWaalsContact O-N 3.12Å; Q18-E366 HydrophobicContact CG-CB 4.37Å; Q18-A370 HydrophobicContact CG-CB 4Å
19	V	89.1	Confident	79.2	Confident	37 Å²	37	76.6 Å²	76.6	22%	0.224	36%	0.355	C	S	.	.	H	α-helix	trans	-62.9	-41.6	174	167.7	0	0	0	0	111.2	N15 H16 D17 V22 D23 V369 R373	N15-V19 VanDerWaalsContact O-CG2 3.26Å; N15-V19 WeakPolarHBondContact O-CG2 3.48Å; N15-V19 PolarHBondContact O-N 3.37Å; H16-V19 PolarHBondContact O-N 3.42Å; D17-V19 PolarHBondContact O-N 2.68Å; V19-V22 PolarHBondContact O-N 3.26Å; V19-D23 VanDerWaalsContact O-CB 3.22Å; V19-D23 WeakPolarHBondContact O-CB 3.32Å; V19-D23 PolarHBondContact O-N 3.36Å; V19-V369 HydrophobicContact CG2-CG1 3.91Å; V19-R373 HydrophobicContact CG1-CG 4.11Å; V19-R373 HydrophobicContact CG2-CB 4.45Å; V19-R373 HydrophobicContact CG2-CG 4.44Å
20	Q	89.1	Confident	81.5	Confident	83 Å²	83	75.9 Å²	75.9	39%	0.388	35%	0.352	S	S	.	.	H	α-helix	trans	-64.8	-38	177.2	-73.9	-174.6	12.1	0	0	112.8	H16 D17 Q18 D23 Q24	H16-Q20 PolarHBondContact CD2-NE2 3.37Å; H16-Q20 VanDerWaalsContact CD2-NE2 3.28Å; H16-Q20 PolarHBondContact NE2-NE2 3.04Å; H16-Q20 WeakPolarHBondContact O-CG 3.44Å; H16-Q20 PolarHBondContact O-N 3.15Å; H16-Q20 VanDerWaalsContact O-N 3.08Å; D17-Q20 PolarHBondContact O-N 3.02Å; Q18-Q20 VanDerWaalsContact C-N 3.34Å; Q20-D23 WeakPolarHBondContact O-CB 3.19Å; Q20-D23 PolarHBondContact O-N 3.35Å; Q20-Q24 WeakPolarHBondContact O-CG 3.39Å; Q20-Q24 PolarHBondContact O-N 2.77Å
21	K	90.8	Very high	83.6	Confident	102 Å²	102	72 Å²	72	44%	0.443	34%	0.336	S	S	.	.	H	α-helix	trans	-63.3	-47.4	175.2	-71.6	173.3	-170.8	159	0	112	D17 Q18 D23 Q24 Y25	D17-K21 WeakPolarHBondContact O-CG 3.29Å; D17-K21 PolarHBondContact O-N 2.69Å; D17-K21 WeakPolarHBondContact OD2-CE 3.5Å; D17-K21 IonicContact OD2-NZ 3.52Å; D17-K21 PolarHBondContact OD2-NZ 2.89Å; Q18-K21 PolarHBondContact O-N 3.37Å; K21-D23 VanDerWaalsContact C-N 3.26Å; K21-D23 PolarHBondContact O-N 3.29Å; K21-Q24 PolarHBondContact O-N 3.43Å; K21-Y25 WeakPolarHBondContact O-CB 3.35Å; K21-Y25 PolarHBondContact O-N 3.4Å
22	V	95.4	Very high	85.7	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-59.8	-41.7	175.1	173.7	0	0	0	0	110.7	Q18 V19 Q24 Y25 L26 M313 A370 R373 I374 I377	Q18-V22 WeakPolarHBondContact O-CG2 3.47Å; Q18-V22 PolarHBondContact O-N 3.24Å; Q18-V22 VanDerWaalsContact O-N 3.12Å; V19-V22 PolarHBondContact O-N 3.26Å; V22-Q24 PolarHBondContact O-N 2.82Å; V22-Y25 PolarHBondContact O-N 3.19Å; V22-L26 HydrophobicContact CG1-CD1 4.1Å; V22-L26 WeakPolarHBondContact O-CB 3.44Å; V22-L26 PolarHBondContact O-N 3.31Å; V22-M313 HydrophobicContact CG2-CE 4.28Å; V22-A370 HydrophobicContact CG2-CB 3.77Å; V22-R373 HydrophobicContact CB-CB 4.46Å; V22-R373 HydrophobicContact CB-CG 4.06Å; V22-R373 HydrophobicContact CG1-CB 4.09Å; V22-R373 HydrophobicContact CG1-CG 3.71Å; V22-I374 HydrophobicContact CG1-CG1 3.68Å; V22-I377 HydrophobicContact CG1-CD1 3.86Å
23	D	94.2	Very high	87.5	Confident	23 Å²	23	68.7 Å²	68.7	12%	0.123	32%	0.324	C	S	.	.	H	α-helix	trans	-62.2	-38.7	178.8	-85.4	-4.3	0	0	0	113.5	V19 Q20 K21 Y27 R30 R373	V19-D23 VanDerWaalsContact O-CB 3.22Å; V19-D23 WeakPolarHBondContact O-CB 3.32Å; V19-D23 PolarHBondContact O-N 3.36Å; Q20-D23 WeakPolarHBondContact O-CB 3.19Å; Q20-D23 PolarHBondContact O-N 3.35Å; K21-D23 VanDerWaalsContact C-N 3.26Å; K21-D23 PolarHBondContact O-N 3.29Å; D23-Y27 WeakPolarHBondContact O-CA 3.41Å; D23-Y27 PolarHBondContact O-N 3.48Å; D23-R30 IonicContact OD1-CZ 3.97Å; D23-R30 IonicContact OD1-NH1 3.87Å; D23-R30 PolarHBondContact OD1-NH1 2.95Å; D23-R30 IonicContact OD2-CZ 3.83Å; D23-R30 IonicContact OD2-NH1 3.82Å; D23-R30 PolarHBondContact OD2-NH1 3.26Å; D23-R30 IonicContact OD2-NH2 2.89Å; D23-R373 VanDerWaalsContact CG-NH2 3.33Å; D23-R373 IonicContact OD1-CZ 2.88Å; D23-R373 IonicContact OD1-NE 2.85Å; D23-R373 PolarHBondContact OD1-NE 3.35Å; D23-R373 IonicContact OD1-NH2 3.25Å; D23-R373 PolarHBondContact OD1-NH2 2.9Å; D23-R373 IonicContact OD2-CZ 2.75Å; D23-R373 IonicContact OD2-NE 3.73Å; D23-R373 IonicContact OD2-NH2 3.5Å; D23-R373 PolarHBondContact OD2-NH2 3.48Å
24	Q	94.4	Very high	89.3	Confident	143 Å²	143	71.8 Å²	71.8	67%	0.668	34%	0.338	S	S	*	.	H	α-helix	trans	-72	-43	174.2	-72.4	173.6	6	0	0	111.3	Q20 K21 V22 L26 Y27	Q20-Q24 WeakPolarHBondContact O-CG 3.39Å; Q20-Q24 PolarHBondContact O-N 2.77Å; K21-Q24 PolarHBondContact O-N 3.43Å; V22-Q24 PolarHBondContact O-N 2.82Å; Q24-L26 VanDerWaalsContact C-N 3.35Å; Q24-L26 PolarHBondContact O-N 3.09Å; Q24-Y27 VanDerWaalsContact O-CB 3.29Å; Q24-Y27 WeakPolarHBondContact O-CB 3.48Å; Q24-Y27 PolarHBondContact O-N 3.27Å
25	Y	97.1	Very high	91.2	Very high	64 Å²	64	70.7 Å²	70.7	25%	0.251	33%	0.334	S	S	.	.	H	α-helix	trans	-61.8	-42.9	179.6	-167	-94.8	0	0	0	112.2	K21 V22 F277 K312 M313 E316 L318	K21-Y25 WeakPolarHBondContact O-CB 3.35Å; K21-Y25 PolarHBondContact O-N 3.4Å; V22-Y25 PolarHBondContact O-N 3.19Å; Y25-F277 HydrophobicContact CE1-CZ 4.18Å; Y25-K312 VanDerWaalsContact OH-CD 3.3Å; Y25-K312 WeakPolarHBondContact OH-CD 3.37Å; Y25-K312 WeakPolarHBondContact OH-CE 3.43Å; Y25-K312 WeakPolarHBondContact OH-CG 3.33Å; Y25-M313 HydrophobicContact CD1-CE 4.38Å; Y25-M313 HydrophobicContact CD1-CG 3.87Å; Y25-M313 HydrophobicContact CD1-SD 3.89Å; Y25-M313 HydrophobicContact CE1-CG 3.44Å; Y25-M313 VanDerWaalsContact CE1-CG 3.44Å; Y25-M313 HydrophobicContact CE1-SD 4.07Å; Y25-M313 HydrophobicContact CG-CE 4.46Å; Y25-E316 WeakPolarHBondContact CE2-OE2 3.31Å; Y25-E316 VanDerWaalsContact CZ-OE2 3.27Å; Y25-E316 VanDerWaalsContact OH-CD 3.22Å; Y25-E316 PolarHBondContact OH-OE1 3.35Å; Y25-E316 PolarHBondContact OH-OE2 3.07Å; Y25-L318 HydrophobicContact CD2-CD1 3.77Å; Y25-L318 HydrophobicContact CE2-CD1 3.6Å
26	L	97.4	Very high	92.7	Very high	4 Å²	4	68.5 Å²	68.5	2%	0.021	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	26	179.5	-60.6	179.7	0	0	0	112.8	V22 Q24 H28 M29 F277 I309 I374 I377	V22-L26 HydrophobicContact CG1-CD1 4.1Å; V22-L26 WeakPolarHBondContact O-CB 3.44Å; V22-L26 PolarHBondContact O-N 3.31Å; Q24-L26 VanDerWaalsContact C-N 3.35Å; Q24-L26 PolarHBondContact O-N 3.09Å; L26-H28 PolarHBondContact O-N 3.37Å; L26-M29 HydrophobicContact CB-CB 4.49Å; L26-M29 HydrophobicContact CD2-SD 4.25Å; L26-M29 WeakPolarHBondContact O-CB 3.27Å; L26-M29 PolarHBondContact O-N 3.1Å; L26-F277 HydrophobicContact CD2-CE2 4Å; L26-I309 HydrophobicContact CD1-CD1 4.28Å; L26-I309 HydrophobicContact CD1-CG2 4.17Å; L26-I309 HydrophobicContact CD2-CD1 4.14Å; L26-I309 HydrophobicContact CD2-CG1 4.26Å; L26-I309 HydrophobicContact CD2-CG2 3.97Å; L26-I374 HydrophobicContact CD1-CB 4.36Å; L26-I374 HydrophobicContact CD1-CG1 3.97Å; L26-I374 HydrophobicContact CD1-CG2 4.18Å; L26-I377 HydrophobicContact CB-CD1 4.08Å; L26-I377 HydrophobicContact CB-CG2 4.18Å; L26-I377 HydrophobicContact CD1-CB 4.43Å; L26-I377 HydrophobicContact CD1-CD1 3.99Å; L26-I377 HydrophobicContact CD1-CG2 4.28Å
27	Y	95.5	Very high	94.1	Very high	159 Å²	159	66.3 Å²	66.3	62%	0.624	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-51.8	-42.6	-178.4	174.8	-99.6	0	0	0	112.5	D23 Q24 M29 R30	D23-Y27 WeakPolarHBondContact O-CA 3.41Å; D23-Y27 PolarHBondContact O-N 3.48Å; Q24-Y27 VanDerWaalsContact O-CB 3.29Å; Q24-Y27 WeakPolarHBondContact O-CB 3.48Å; Q24-Y27 PolarHBondContact O-N 3.27Å; Y27-M29 PolarHBondContact O-N 2.94Å; Y27-R30 WeakPolarHBondContact O-CB 3.32Å; Y27-R30 PolarHBondContact O-N 2.63Å
28	H	93.6	Very high	95	Very high	138 Å²	138	66.5 Å²	66.5	64%	0.639	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-66.1	-16.5	179.5	-66.1	-71.1	0	0	0	114.5	L26 T275	L26-H28 PolarHBondContact O-N 3.37Å; H28-T275 HydrophobicContact CB-CG2 4.14Å
29	M	97.4	Very high	95.8	Very high	3 Å²	3	65.7 Å²	65.7	2%	0.015	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-87.5	-8.8	173.2	-67.3	-165.2	174.1	0	0	113.1	L26 Y27 L31 T275 F277 I309 I377 V378 R381	L26-M29 HydrophobicContact CB-CB 4.49Å; L26-M29 HydrophobicContact CD2-SD 4.25Å; L26-M29 WeakPolarHBondContact O-CB 3.27Å; L26-M29 PolarHBondContact O-N 3.1Å; Y27-M29 PolarHBondContact O-N 2.94Å; M29-L31 PolarHBondContact O-N 2.69Å; M29-T275 HydrophobicContact CE-CG2 3.94Å; M29-T275 WeakPolarHBondContact CE-OG1 3.41Å; M29-T275 HydrophobicContact CG-CG2 3.87Å; M29-F277 HydrophobicContact CE-CB 4.05Å; M29-F277 HydrophobicContact CE-CD2 3.41Å; M29-F277 VanDerWaalsContact CE-CD2 3.41Å; M29-F277 HydrophobicContact CE-CE2 4.19Å; M29-F277 HydrophobicContact CE-CG 4.07Å; M29-I309 HydrophobicContact CE-CD1 3.99Å; M29-I309 HydrophobicContact SD-CD1 3.94Å; M29-I377 HydrophobicContact CB-CG2 3.67Å; M29-V378 HydrophobicContact SD-CG2 4.31Å; M29-R381 WeakPolarHBondContact O-CD 3.2Å; M29-R381 WeakPolarHBondContact O-CG 3.42Å
30	R	97	Very high	96.2	Very high	116 Å²	116	64.6 Å²	64.6	44%	0.438	30%	0.303	S	S	.	.	S	Bend	trans	-98.5	87.9	-177.3	-62.9	-178.1	61.3	169.4	7.1	110.5	D23 Y27 I377	D23-R30 IonicContact OD1-CZ 3.97Å; D23-R30 IonicContact OD1-NH1 3.87Å; D23-R30 PolarHBondContact OD1-NH1 2.95Å; D23-R30 IonicContact OD2-CZ 3.83Å; D23-R30 IonicContact OD2-NH1 3.82Å; D23-R30 PolarHBondContact OD2-NH1 3.26Å; D23-R30 IonicContact OD2-NH2 2.89Å; Y27-R30 WeakPolarHBondContact O-CB 3.32Å; Y27-R30 PolarHBondContact O-N 2.63Å; R30-I377 HydrophobicContact CG-CG2 4.19Å
31	L	96.8	Very high	96.7	Very high	34 Å²	34	66.6 Å²	66.6	18%	0.178	31%	0.311	C	S	.	.			trans	-76.3	130.3	-174.7	-51.1	179.2	0	0	0	111.4	M29 T35 L36 I39 R381 L385	M29-L31 PolarHBondContact O-N 2.69Å; L31-T35 HydrophobicContact CD2-CG2 4.2Å; L31-L36 HydrophobicContact CB-CD2 3.87Å; L31-L36 HydrophobicContact CB-CG 4.13Å; L31-L36 HydrophobicContact CD1-CD2 3.85Å; L31-I39 HydrophobicContact CD1-CD1 4.19Å; L31-R381 HydrophobicContact CD1-CG 4.15Å; L31-R381 HydrophobicContact CG-CG 4.42Å; L31-L385 HydrophobicContact CD1-CD2 3.41Å; L31-L385 VanDerWaalsContact CD1-CD2 3.41Å; L31-L385 HydrophobicContact CD1-CG 3.84Å
32	S	97.4	Very high	97	Very high	53 Å²	53	64.7 Å²	64.7	37%	0.371	30%	0.301	S	S	.	.			trans	-78.5	162.7	173	72.5	0	0	0	0	111.1	E34 T35 L36	S32-E34 PolarHBondContact O-N 2.59Å; S32-T35 PolarHBondContact O-N 3.27Å; S32-T35 VanDerWaalsContact O-N 3.15Å; S32-T35 PolarHBondContact OG-N 3.12Å; S32-T35 PolarHBondContact OG-OG1 3Å; S32-L36 VanDerWaalsContact O-CG 3.31Å; S32-L36 WeakPolarHBondContact O-CG 3.33Å; S32-L36 PolarHBondContact O-N 2.84Å
33	D	97.1	Very high	97.2	Very high	60 Å²	60	64.7 Å²	64.7	32%	0.321	30%	0.301	S	S	.	.	H	α-helix	trans	-59.8	-34.2	175.4	-73.5	-7.3	0	0	0	112.1	L36 L37 R433 L434	D33-L36 PolarHBondContact O-N 2.94Å; D33-L37 WeakPolarHBondContact O-CB 3.42Å; D33-L37 VanDerWaalsContact O-CG 3.3Å; D33-L37 WeakPolarHBondContact O-CG 3.19Å; D33-L37 PolarHBondContact O-N 3.16Å; D33-R433 VanDerWaalsContact CG-NE 3.25Å; D33-R433 IonicContact OD1-CZ 3.88Å; D33-R433 VanDerWaalsContact OD1-CZ 3.28Å; D33-R433 IonicContact OD1-NE 3.91Å; D33-R433 PolarHBondContact OD1-NE 2.72Å; D33-R433 IonicContact OD1-NH2 3.74Å; D33-R433 PolarHBondContact OD1-NH2 3.22Å; D33-R433 VanDerWaalsContact OD2-CD 3.23Å; D33-R433 WeakPolarHBondContact OD2-CD 3.48Å; D33-R433 IonicContact OD2-CZ 3.7Å; D33-R433 IonicContact OD2-NE 3.09Å; D33-R433 PolarHBondContact OD2-NE 3.42Å; D33-R433 IonicContact OD2-NH2 2.97Å; D33-L434 HydrophobicContact CB-CD2 4.49Å
34	E	97.6	Very high	97.4	Very high	162 Å²	162	67 Å²	67	76%	0.757	31%	0.308	S	S	*	.	H	α-helix	trans	-62.1	-46.5	174.8	-66.2	172.2	-177.7	0	0	111.4	S32 L37 E38	S32-E34 PolarHBondContact O-N 2.59Å; E34-L37 PolarHBondContact O-N 3.42Å; E34-E38 PolarHBondContact O-N 3.22Å
35	T	98	Very high	97.5	Very high	49 Å²	49	66.9 Å²	66.9	30%	0.301	31%	0.305	S	S	.	.	H	α-helix	trans	-63.1	-42	175.2	-55	0	0	0	0	111.4	L31 S32 E38 I39 I273	L31-T35 HydrophobicContact CD2-CG2 4.2Å; S32-T35 PolarHBondContact O-N 3.27Å; S32-T35 VanDerWaalsContact O-N 3.15Å; S32-T35 PolarHBondContact OG-N 3.12Å; S32-T35 PolarHBondContact OG-OG1 3Å; T35-E38 PolarHBondContact O-N 3.44Å; T35-I39 HydrophobicContact CG2-CD1 4.05Å; T35-I39 VanDerWaalsContact O-CG1 3.29Å; T35-I39 WeakPolarHBondContact O-CG1 3.46Å; T35-I39 PolarHBondContact O-N 3.34Å; T35-I273 HydrophobicContact CG2-CG2 4.18Å
36	L	98.5	Very high	97.5	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.6	-39.2	178.6	-65.9	174.9	0	0	0	112.4	L31 S32 D33 E38 I39 S40 A388 T430 L434	L31-L36 HydrophobicContact CB-CD2 3.87Å; L31-L36 HydrophobicContact CB-CG 4.13Å; L31-L36 HydrophobicContact CD1-CD2 3.85Å; S32-L36 VanDerWaalsContact O-CG 3.31Å; S32-L36 WeakPolarHBondContact O-CG 3.33Å; S32-L36 PolarHBondContact O-N 2.84Å; D33-L36 PolarHBondContact O-N 2.94Å; L36-E38 VanDerWaalsContact C-N 3.32Å; L36-I39 HydrophobicContact CD2-CD1 4.43Å; L36-I39 PolarHBondContact O-N 2.87Å; L36-S40 WeakPolarHBondContact O-CB 3.29Å; L36-S40 PolarHBondContact O-N 3.35Å; L36-A388 HydrophobicContact CB-CB 4.24Å; L36-A388 HydrophobicContact CD2-CB 4.18Å; L36-A388 WeakPolarHBondContact O-CB 3.31Å; L36-T430 HydrophobicContact CD1-CG2 3.9Å; L36-L434 HydrophobicContact CB-CD1 4.08Å; L36-L434 HydrophobicContact CB-CD2 4.12Å
37	L	98.3	Very high	97.6	Very high	73 Å²	73	64.8 Å²	64.8	38%	0.382	30%	0.298	S	S	.	.	H	α-helix	trans	-65.6	-36.2	173.5	-74	171.7	0	0	0	111.7	D33 E34 S40 K41 L434	D33-L37 WeakPolarHBondContact O-CB 3.42Å; D33-L37 VanDerWaalsContact O-CG 3.3Å; D33-L37 WeakPolarHBondContact O-CG 3.19Å; D33-L37 PolarHBondContact O-N 3.16Å; E34-L37 PolarHBondContact O-N 3.42Å; L37-S40 WeakPolarHBondContact O-CB 3.38Å; L37-S40 PolarHBondContact O-N 2.9Å; L37-K41 WeakPolarHBondContact O-CG 3.47Å; L37-K41 PolarHBondContact O-N 2.65Å; L37-L434 HydrophobicContact CD2-CB 4.41Å; L37-L434 HydrophobicContact CD2-CD2 3.97Å; L37-L434 HydrophobicContact CG-CD2 3.95Å
38	E	98.3	Very high	97.7	Very high	75 Å²	75	61.1 Å²	61.1	35%	0.35	29%	0.286	S	S	.	.	H	α-helix	trans	-67.2	-43.3	174.1	-175	54.1	-151	0	0	111.7	E34 T35 L36 S40 K41 R42	E34-E38 PolarHBondContact O-N 3.22Å; T35-E38 PolarHBondContact O-N 3.44Å; L36-E38 VanDerWaalsContact C-N 3.32Å; E38-S40 VanDerWaalsContact C-N 3.29Å; E38-S40 PolarHBondContact O-N 2.8Å; E38-K41 WeakPolarHBondContact O-CB 3.21Å; E38-K41 PolarHBondContact O-N 3.01Å; E38-R42 WeakPolarHBondContact O-CG 3.46Å; E38-R42 PolarHBondContact O-N 2.91Å; E38-R42 IonicContact OE1-NE 3.13Å
39	I	98.6	Very high	97.8	Very high	1 Å²	1	57 Å²	57	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-58.8	-42.9	172.9	-67.3	164.6	0	0	0	110.6	L31 T35 L36 K41 R42 F43 F264 I273 L385 A388	L31-I39 HydrophobicContact CD1-CD1 4.19Å; T35-I39 HydrophobicContact CG2-CD1 4.05Å; T35-I39 VanDerWaalsContact O-CG1 3.29Å; T35-I39 WeakPolarHBondContact O-CG1 3.46Å; T35-I39 PolarHBondContact O-N 3.34Å; L36-I39 HydrophobicContact CD2-CD1 4.43Å; L36-I39 PolarHBondContact O-N 2.87Å; I39-K41 PolarHBondContact O-N 3.45Å; I39-R42 PolarHBondContact O-N 2.77Å; I39-F43 WeakPolarHBondContact O-CB 3.38Å; I39-F43 PolarHBondContact O-N 3.25Å; I39-F264 HydrophobicContact CG2-CE1 3.95Å; I39-I273 HydrophobicContact CD1-CD1 3.71Å; I39-I273 HydrophobicContact CD1-CG2 4.35Å; I39-I273 HydrophobicContact CG1-CD1 4.23Å; I39-L385 HydrophobicContact CD1-CD2 3.74Å; I39-A388 HydrophobicContact CB-CB 4.25Å; I39-A388 HydrophobicContact CG2-CB 4Å
40	S	98.4	Very high	97.8	Very high	14 Å²	14	56.8 Å²	56.8	10%	0.098	27%	0.266	C	S	.	.	H	α-helix	trans	-57.8	-46.3	175.2	176.8	0	0	0	0	111.8	L36 L37 E38 R42 F43 R44 A388 A392	L36-S40 WeakPolarHBondContact O-CB 3.29Å; L36-S40 PolarHBondContact O-N 3.35Å; L37-S40 WeakPolarHBondContact O-CB 3.38Å; L37-S40 PolarHBondContact O-N 2.9Å; E38-S40 VanDerWaalsContact C-N 3.29Å; E38-S40 PolarHBondContact O-N 2.8Å; S40-R42 PolarHBondContact O-N 3.07Å; S40-F43 PolarHBondContact O-N 2.97Å; S40-R44 PolarHBondContact O-N 3.45Å; S40-A388 WeakPolarHBondContact CB-O 3.29Å; S40-A388 PolarHBondContact OG-O 3.35Å; S40-A392 WeakPolarHBondContact O-CB 3.24Å; S40-A392 PolarHBondContact OG-N 2.94Å
41	K	98.3	Very high	97.8	Very high	125 Å²	125	51.6 Å²	51.6	54%	0.543	25%	0.246	S	C	.	.	H	α-helix	trans	-62.7	-41.8	175.6	-70.3	171	-173.3	172.1	0	112.7	L37 E38 I39 R44 K45	L37-K41 WeakPolarHBondContact O-CG 3.47Å; L37-K41 PolarHBondContact O-N 2.65Å; E38-K41 WeakPolarHBondContact O-CB 3.21Å; E38-K41 PolarHBondContact O-N 3.01Å; I39-K41 PolarHBondContact O-N 3.45Å; K41-R44 PolarHBondContact O-N 3.41Å; K41-K45 PolarHBondContact O-N 3.27Å
42	R	98.4	Very high	97.7	Very high	63 Å²	63	50.5 Å²	50.5	24%	0.238	24%	0.244	C	C	.	.	H	α-helix	trans	-62.9	-44.5	176.1	-68.3	179.9	-166.1	180	11.3	111.1	E38 I39 S40 R44 K45 E46 F264 S269 D272	E38-R42 WeakPolarHBondContact O-CG 3.46Å; E38-R42 PolarHBondContact O-N 2.91Å; E38-R42 IonicContact OE1-NE 3.13Å; I39-R42 PolarHBondContact O-N 2.77Å; S40-R42 PolarHBondContact O-N 3.07Å; R42-R44 VanDerWaalsContact C-N 3.35Å; R42-R44 PolarHBondContact O-N 3.43Å; R42-K45 WeakPolarHBondContact O-CB 3.25Å; R42-K45 PolarHBondContact O-N 3.37Å; R42-E46 PolarHBondContact O-N 3.19Å; R42-E46 VanDerWaalsContact O-N 3.09Å; R42-F264 HydrophobicContact CB-CE2 4.37Å; R42-F264 HydrophobicContact CB-CZ 3.91Å; R42-S269 PolarHBondContact NH1-O 3.32Å; R42-D272 IonicContact CZ-OD1 3.65Å; R42-D272 IonicContact CZ-OD2 2.92Å; R42-D272 VanDerWaalsContact NH1-CG 3.28Å; R42-D272 IonicContact NH1-OD1 2.91Å; R42-D272 PolarHBondContact NH1-OD1 2.84Å; R42-D272 IonicContact NH1-OD2 3.46Å; R42-D272 PolarHBondContact NH1-OD2 2.96Å; R42-D272 IonicContact NH2-OD1 3.69Å; R42-D272 IonicContact NH2-OD2 2.82Å; R42-D272 PolarHBondContact NH2-OD2 3.12Å
43	F	98.6	Very high	97.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-41.9	178.2	-171.5	-107.8	0	0	0	112	I39 S40 K45 E46 M47 V61 M259 W261 F264 T389 A392 V393	I39-F43 WeakPolarHBondContact O-CB 3.38Å; I39-F43 PolarHBondContact O-N 3.25Å; S40-F43 PolarHBondContact O-N 2.97Å; F43-K45 VanDerWaalsContact C-N 3.31Å; F43-K45 PolarHBondContact O-N 2.97Å; F43-E46 CarbonylContact O-C 3.53Å; F43-E46 PolarHBondContact O-N 2.79Å; F43-E46 VanDerWaalsContact O-N 3.1Å; F43-M47 HydrophobicContact CD1-CG 4.06Å; F43-M47 HydrophobicContact CD1-SD 3.78Å; F43-M47 HydrophobicContact CE1-CG 3.8Å; F43-M47 HydrophobicContact CE1-SD 3.63Å; F43-M47 HydrophobicContact CZ-CG 4.28Å; F43-M47 WeakPolarHBondContact O-CG 3.24Å; F43-M47 PolarHBondContact O-N 3.1Å; F43-V61 HydrophobicContact CD2-CG2 4.18Å; F43-V61 HydrophobicContact CE2-CG1 4.15Å; F43-V61 HydrophobicContact CE2-CG2 3.73Å; F43-V61 HydrophobicContact CZ-CG1 4.3Å; F43-M259 HydrophobicContact CE1-SD 3.94Å; F43-M259 HydrophobicContact CZ-SD 3.96Å; F43-W261 HydrophobicContact CE1-CE3 4.33Å; F43-W261 HydrophobicContact CE2-CB 3.64Å; F43-W261 HydrophobicContact CZ-CB 3.59Å; F43-W261 AromaticContact CZ-CE3 3.96Å; F43-W261 HydrophobicContact CZ-CE3 3.96Å; F43-W261 HydrophobicContact CZ-CG 4.5Å; F43-F264 HydrophobicContact CB-CD1 4.41Å; F43-F264 HydrophobicContact CB-CE1 3.8Å; F43-F264 HydrophobicContact CB-CZ 3.91Å; F43-F264 HydrophobicContact CD2-CB 4.24Å; F43-F264 AromaticContact CD2-CD1 3.51Å; F43-F264 HydrophobicContact CD2-CD1 3.51Å; F43-F264 HydrophobicContact CD2-CD2 4.17Å; F43-F264 AromaticContact CD2-CE1 3.78Å; F43-F264 HydrophobicContact CD2-CE1 3.78Å; F43-F264 HydrophobicContact CD2-CE2 4.43Å; F43-F264 AromaticContact CD2-CG 3.73Å; F43-F264 HydrophobicContact CD2-CG 3.73Å; F43-F264 HydrophobicContact CD2-CZ 4.25Å; F43-F264 HydrophobicContact CE2-CB 4.28Å; F43-F264 HydrophobicContact CE2-CD1 4.24Å; F43-F264 HydrophobicContact CE2-CG 4.26Å; F43-F264 HydrophobicContact CG-CD1 4.37Å; F43-F264 HydrophobicContact CG-CE1 4.24Å; F43-T389 HydrophobicContact CB-CG2 4.03Å; F43-T389 HydrophobicContact CD1-CG2 3.89Å; F43-T389 HydrophobicContact CD2-CG2 3.68Å; F43-T389 HydrophobicContact CE1-CG2 4.27Å; F43-T389 HydrophobicContact CE2-CG2 4.08Å; F43-T389 HydrophobicContact CG-CG2 3.57Å; F43-T389 HydrophobicContact CZ-CG2 4.36Å; F43-A392 HydrophobicContact CB-CB 4.44Å; F43-A392 HydrophobicContact CD1-CB 3.9Å; F43-V393 HydrophobicContact CE1-CG2 4.11Å
44	R	97.8	Very high	97.3	Very high	72 Å²	72	53.6 Å²	53.6	27%	0.272	27%	0.267	S	S	.	.	H	α-helix	trans	-57.1	-43	174.4	179.8	179.2	165.9	155.4	2.6	112.5	S40 K41 R42 E46 M47 E48 A392 E399	S40-R44 PolarHBondContact O-N 3.45Å; K41-R44 PolarHBondContact O-N 3.41Å; R42-R44 VanDerWaalsContact C-N 3.35Å; R42-R44 PolarHBondContact O-N 3.43Å; R44-E46 VanDerWaalsContact C-N 3.33Å; R44-E46 PolarHBondContact O-N 3.24Å; R44-M47 WeakPolarHBondContact O-CB 3.28Å; R44-M47 PolarHBondContact O-N 2.75Å; R44-E48 IonicContact NE-OE1 3.72Å; R44-E48 PolarHBondContact NE-OE1 2.9Å; R44-E48 IonicContact NH2-OE1 2.86Å; R44-E48 PolarHBondContact O-N 3.23Å; R44-A392 HydrophobicContact CB-CB 4.18Å; R44-E399 IonicContact CZ-OE1 3.27Å; R44-E399 IonicContact CZ-OE2 3.06Å; R44-E399 VanDerWaalsContact NH1-CD 3.3Å; R44-E399 IonicContact NH1-OE1 3.77Å; R44-E399 PolarHBondContact NH1-OE1 2.87Å; R44-E399 IonicContact NH1-OE2 2.63Å; R44-E399 PolarHBondContact NH1-OE2 3.21Å; R44-E399 VanDerWaalsContact NH1-OE2 3.16Å; R44-E399 IonicContact NH2-OE1 2.68Å; R44-E399 PolarHBondContact NH2-OE1 2.55Å; R44-E399 IonicContact NH2-OE2 2.82Å; R44-E399 PolarHBondContact NH2-OE2 2.76Å
45	K	97.5	Very high	97.2	Very high	139 Å²	139	48.2 Å²	48.2	60%	0.604	25%	0.245	S	C	*	.	H	α-helix	trans	-62.8	-39.9	175.4	-70.6	177	179.3	178.1	0	111.9	K41 R42 F43 M47 E48 K49	K41-K45 PolarHBondContact O-N 3.27Å; R42-K45 WeakPolarHBondContact O-CB 3.25Å; R42-K45 PolarHBondContact O-N 3.37Å; F43-K45 VanDerWaalsContact C-N 3.31Å; F43-K45 PolarHBondContact O-N 2.97Å; K45-M47 VanDerWaalsContact C-N 3.34Å; K45-E48 PolarHBondContact O-N 3.47Å; K45-K49 WeakPolarHBondContact O-CB 3.35Å; K45-K49 PolarHBondContact O-N 3.42Å
46	E	98.1	Very high	97	Very high	21 Å²	21	47.3 Å²	47.3	10%	0.098	24%	0.237	C	C	.	.	H	α-helix	trans	-67.8	-32.9	175.3	-75.5	-60.4	121.4	0	0	112.5	R42 F43 R44 K49 G50 A60 V61 F264	R42-E46 PolarHBondContact O-N 3.19Å; R42-E46 VanDerWaalsContact O-N 3.09Å; F43-E46 CarbonylContact O-C 3.53Å; F43-E46 PolarHBondContact O-N 2.79Å; F43-E46 VanDerWaalsContact O-N 3.1Å; R44-E46 VanDerWaalsContact C-N 3.33Å; R44-E46 PolarHBondContact O-N 3.24Å; E46-K49 PolarHBondContact O-N 3.26Å; E46-K49 WeakPolarHBondContact OE1-CD 3.12Å; E46-K49 IonicContact OE1-NZ 3.26Å; E46-K49 IonicContact OE2-NZ 3.28Å; E46-G50 PolarHBondContact O-N 3.26Å; E46-A60 PolarHBondContact OE2-N 3.33Å; E46-V61 HydrophobicContact CB-CB 4.05Å; E46-V61 HydrophobicContact CB-CG2 3.69Å; E46-V61 HydrophobicContact CG-CG2 4.43Å; E46-F264 HydrophobicContact CG-CD2 4.14Å; E46-F264 HydrophobicContact CG-CE2 4.06Å
47	M	98.3	Very high	96.8	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.015	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-48.7	170.6	-67.4	171.6	67.4	0	0	111.4	F43 R44 K45 K49 G50 L51 M63 Y238 M259 V393 R396	F43-M47 HydrophobicContact CD1-CG 4.06Å; F43-M47 HydrophobicContact CD1-SD 3.78Å; F43-M47 HydrophobicContact CE1-CG 3.8Å; F43-M47 HydrophobicContact CE1-SD 3.63Å; F43-M47 HydrophobicContact CZ-CG 4.28Å; F43-M47 WeakPolarHBondContact O-CG 3.24Å; F43-M47 PolarHBondContact O-N 3.1Å; R44-M47 WeakPolarHBondContact O-CB 3.28Å; R44-M47 PolarHBondContact O-N 2.75Å; K45-M47 VanDerWaalsContact C-N 3.34Å; M47-K49 VanDerWaalsContact C-N 3.32Å; M47-K49 PolarHBondContact O-N 3.04Å; M47-G50 PolarHBondContact O-N 3.05Å; M47-L51 WeakPolarHBondContact O-CG 3.47Å; M47-L51 PolarHBondContact O-N 3Å; M47-M63 HydrophobicContact CB-CE 3.65Å; M47-M63 HydrophobicContact CB-SD 4.05Å; M47-M63 HydrophobicContact CE-CE 3.9Å; M47-M63 HydrophobicContact CG-CE 3.84Å; M47-M63 HydrophobicContact CG-SD 3.91Å; M47-Y238 HydrophobicContact CE-CD1 4.41Å; M47-Y238 HydrophobicContact CE-CE1 3.58Å; M47-Y238 HydrophobicContact CE-CE2 4.39Å; M47-Y238 WeakPolarHBondContact CE-OH 3.47Å; M47-M259 HydrophobicContact CE-SD 4.3Å; M47-V393 HydrophobicContact CE-CG2 4.05Å; M47-V393 HydrophobicContact SD-CG2 4.06Å; M47-R396 HydrophobicContact CE-CB 4.24Å; M47-R396 HydrophobicContact CE-CG 4.11Å
48	E	97.3	Very high	96.5	Very high	83 Å²	83	53.2 Å²	53.2	39%	0.388	28%	0.278	S	S	.	.	H	α-helix	trans	-60.3	-43.2	177.2	-70	167.2	-173.2	0	0	111.2	R44 K45 G50 L51 G52	R44-E48 IonicContact NE-OE1 3.72Å; R44-E48 PolarHBondContact NE-OE1 2.9Å; R44-E48 IonicContact NH2-OE1 2.86Å; R44-E48 PolarHBondContact O-N 3.23Å; K45-E48 PolarHBondContact O-N 3.47Å; E48-G50 PolarHBondContact O-N 3.13Å; E48-L51 PolarHBondContact O-N 3.34Å; E48-G52 PolarHBondContact O-N 3.01Å; E48-G52 VanDerWaalsContact O-N 3.14Å
49	K	97.1	Very high	96.4	Very high	50 Å²	50	49.8 Å²	49.8	22%	0.217	26%	0.263	C	S	.	.	H	α-helix	trans	-62.8	-39.4	175.9	-169.1	-172.1	171.7	-170	0	112.5	K45 E46 M47 T55 H56 T58 A59 D267	K45-K49 WeakPolarHBondContact O-CB 3.35Å; K45-K49 PolarHBondContact O-N 3.42Å; E46-K49 PolarHBondContact O-N 3.26Å; E46-K49 WeakPolarHBondContact OE1-CD 3.12Å; E46-K49 IonicContact OE1-NZ 3.26Å; E46-K49 IonicContact OE2-NZ 3.28Å; M47-K49 VanDerWaalsContact C-N 3.32Å; M47-K49 PolarHBondContact O-N 3.04Å; K49-T55 HydrophobicContact CG-CG2 4.33Å; K49-T55 CarbonylContact O-C 3.58Å; K49-T55 VanDerWaalsContact O-CB 3.27Å; K49-T55 WeakPolarHBondContact O-CB 3.36Å; K49-T55 PolarHBondContact O-OG1 3.12Å; K49-H56 PolarHBondContact O-N 3.48Å; K49-T58 WeakPolarHBondContact CE-O 3.3Å; K49-T58 PolarHBondContact NZ-O 3.42Å; K49-T58 VanDerWaalsContact NZ-O 3.16Å; K49-A59 HydrophobicContact CB-CB 4.45Å; K49-A59 HydrophobicContact CD-CB 4.21Å; K49-A59 HydrophobicContact CG-CB 4.02Å; K49-D267 IonicContact NZ-OD2 2.72Å
50	G	96.7	Very high	96.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-71.3	-30.4	179	0	0	0	0	0	113.6	E46 M47 E48 H56 V61	E46-G50 PolarHBondContact O-N 3.26Å; M47-G50 PolarHBondContact O-N 3.05Å; E48-G50 PolarHBondContact O-N 3.13Å; G50-H56 PolarHBondContact O-ND1 3.23Å; G50-V61 WeakPolarHBondContact CA-O 3.29Å
51	L	96.6	Very high	96	Very high	6 Å²	6	49.6 Å²	49.6	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-79.5	-30.3	177.4	-72.6	171.2	0	0	0	113.4	M47 E48 M63 E240 H244 I245 D246 I257	M47-L51 WeakPolarHBondContact O-CG 3.47Å; M47-L51 PolarHBondContact O-N 3Å; E48-L51 PolarHBondContact O-N 3.34Å; L51-M63 HydrophobicContact CD1-CE 3.97Å; L51-M63 HydrophobicContact CD2-CB 3.98Å; L51-M63 HydrophobicContact CD2-CE 4.19Å; L51-M63 HydrophobicContact CG-CB 4.09Å; L51-M63 HydrophobicContact CG-CE 3.87Å; L51-M63 HydrophobicContact CG-CG 4.29Å; L51-E240 HydrophobicContact CD1-CG 4.17Å; L51-E240 HydrophobicContact CD2-CG 4.4Å; L51-H244 WeakPolarHBondContact CB-O 3.32Å; L51-I245 HydrophobicContact CD2-CG1 4.18Å; L51-D246 PolarHBondContact O-N 3.4Å; L51-I257 HydrophobicContact CD2-CD1 4.25Å; L51-I257 HydrophobicContact CD2-CG1 4.19Å
52	G	95.9	Very high	95.8	Very high	12 Å²	12	47 Å²	47	12%	0.124	25%	0.251	C	S	.	.	S	Bend	trans	-74.3	130.5	-177.3	0	0	0	0	0	113.9	E48 T54 T55 H56 D246	E48-G52 PolarHBondContact O-N 3.01Å; E48-G52 VanDerWaalsContact O-N 3.14Å; G52-T54 VanDerWaalsContact C-N 3.31Å; G52-T54 PolarHBondContact O-N 3.29Å; G52-T55 PolarHBondContact O-N 3.46Å; G52-T55 VanDerWaalsContact O-N 3.14Å; G52-T55 PolarHBondContact O-OG1 3.37Å; G52-T55 VanDerWaalsContact O-OG1 3.1Å; G52-H56 VanDerWaalsContact O-CB 3.26Å; G52-H56 WeakPolarHBondContact O-CB 3.45Å; G52-H56 PolarHBondContact O-N 3.42Å; G52-D246 WeakPolarHBondContact CA-OD2 3.49Å
53	A	90.9	Very high	95.7	Very high	44 Å²	44	44.2 Å²	44.2	36%	0.364	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-35.1	-171.6	0	0	0	0	0	113.8	D246 M247	A53-D246 HydrophobicContact CB-CB 3.56Å; A53-D246 PolarHBondContact N-OD2 2.97Å; A53-M247 HydrophobicContact CB-SD 3.96Å
54	T	94.1	Very high	95.5	Very high	133 Å²	133	44.8 Å²	44.8	82%	0.816	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-28.4	179.1	57.6	0	0	0	0	112.8	G52	G52-T54 VanDerWaalsContact C-N 3.31Å; G52-T54 PolarHBondContact O-N 3.29Å
55	T	95.8	Very high	95.4	Very high	50 Å²	50	42 Å²	42	31%	0.307	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-26.4	-174	46.9	0	0	0	0	113.1	K49 G52 P57 T58 A59	K49-T55 HydrophobicContact CG-CG2 4.33Å; K49-T55 CarbonylContact O-C 3.58Å; K49-T55 VanDerWaalsContact O-CB 3.27Å; K49-T55 WeakPolarHBondContact O-CB 3.36Å; K49-T55 PolarHBondContact O-OG1 3.12Å; G52-T55 PolarHBondContact O-N 3.46Å; G52-T55 VanDerWaalsContact O-N 3.14Å; G52-T55 PolarHBondContact O-OG1 3.37Å; G52-T55 VanDerWaalsContact O-OG1 3.1Å; T55-P57 VanDerWaalsContact C-CD 3.41Å; T55-T58 PolarHBondContact O-N 3.44Å; T55-T58 PolarHBondContact O-OG1 2.97Å; T55-T58 VanDerWaalsContact O-OG1 3.1Å; T55-A59 PolarHBondContact O-N 2.9Å
56	H	94.3	Very high	95.2	Very high	29 Å²	29	35.5 Å²	35.5	13%	0.134	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-48.4	-44.2	-178.1	179.5	90.9	0	0	0	114.7	K49 G50 G52 T58 A59 K62 M247	K49-H56 PolarHBondContact O-N 3.48Å; G50-H56 PolarHBondContact O-ND1 3.23Å; G52-H56 VanDerWaalsContact O-CB 3.26Å; G52-H56 WeakPolarHBondContact O-CB 3.45Å; G52-H56 PolarHBondContact O-N 3.42Å; H56-T58 PolarHBondContact O-N 2.91Å; H56-A59 PolarHBondContact O-N 3.29Å; H56-A59 VanDerWaalsContact O-N 3.13Å; H56-K62 PolarHBondContact CE1-O 3.21Å; H56-K62 PolarHBondContact ND1-O 3.48Å; H56-M247 HydrophobicContact CB-CG 4.37Å; H56-M247 HydrophobicContact CB-SD 4Å
57	P	92.9	Very high	94.9	Very high	96 Å²	96	36.4 Å²	36.4	62%	0.623	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-57.6	-28.6	-179.3	-26.8	36.3	0	0	0	114.1	T55	T55-P57 VanDerWaalsContact C-CD 3.41Å
58	T	93.4	Very high	94.6	Very high	101 Å²	101	36.5 Å²	36.5	62%	0.62	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-108.3	1	-177.6	66.2	0	0	0	0	113.8	K49 T55 H56	K49-T58 WeakPolarHBondContact CE-O 3.3Å; K49-T58 PolarHBondContact NZ-O 3.42Å; K49-T58 VanDerWaalsContact NZ-O 3.16Å; T55-T58 PolarHBondContact O-N 3.44Å; T55-T58 PolarHBondContact O-OG1 2.97Å; T55-T58 VanDerWaalsContact O-OG1 3.1Å; H56-T58 PolarHBondContact O-N 2.91Å
59	A	95.4	Very high	94.1	Very high	3 Å²	3	37.9 Å²	37.9	3%	0.025	21%	0.213	C	C	.	.			trans	-70.5	138.3	177.3	0	0	0	0	0	110.7	K49 T55 H56 V61 K62	K49-A59 HydrophobicContact CB-CB 4.45Å; K49-A59 HydrophobicContact CD-CB 4.21Å; K49-A59 HydrophobicContact CG-CB 4.02Å; T55-A59 PolarHBondContact O-N 2.9Å; H56-A59 PolarHBondContact O-N 3.29Å; H56-A59 VanDerWaalsContact O-N 3.13Å; A59-V61 WeakPolarHBondContact CB-O 3.46Å; A59-K62 WeakPolarHBondContact O-CE 3.34Å; A59-K62 PolarHBondContact O-NZ 2.98Å
60	A	93.3	Very high	93.5	Very high	11 Å²	11	36.6 Å²	36.6	9%	0.091	21%	0.211	C	C	.	.	S	Bend	trans	-77.2	-45.2	173.8	0	0	0	0	0	109.8	E46 A263 D267	E46-A60 PolarHBondContact OE2-N 3.33Å; A60-A263 WeakPolarHBondContact O-CB 3.45Å; A60-D267 HydrophobicContact CB-CB 4.48Å
61	V	96.1	Very high	93	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-83.3	114.8	171.6	-175.6	0	0	0	0	108.6	F43 E46 G50 A59 M63 M259 F264	F43-V61 HydrophobicContact CD2-CG2 4.18Å; F43-V61 HydrophobicContact CE2-CG1 4.15Å; F43-V61 HydrophobicContact CE2-CG2 3.73Å; F43-V61 HydrophobicContact CZ-CG1 4.3Å; E46-V61 HydrophobicContact CB-CB 4.05Å; E46-V61 HydrophobicContact CB-CG2 3.69Å; E46-V61 HydrophobicContact CG-CG2 4.43Å; G50-V61 WeakPolarHBondContact CA-O 3.29Å; A59-V61 WeakPolarHBondContact CB-O 3.46Å; V61-M63 HydrophobicContact CG1-CG 4.07Å; V61-M63 HydrophobicContact CG1-SD 3.67Å; V61-M259 HydrophobicContact CG1-CB 4.24Å; V61-M259 WeakPolarHBondContact CG1-O 3.49Å; V61-F264 HydrophobicContact CG2-CB 3.92Å; V61-F264 HydrophobicContact CG2-CD2 4.26Å; V61-F264 HydrophobicContact CG2-CG 4.35Å
62	K	93.1	Very high	92.5	Very high	72 Å²	72	37.1 Å²	37.1	31%	0.313	21%	0.214	S	C	.	.			trans	-80.8	-25.1	-166.6	-66.5	-57.2	-173.3	-170.3	0	114.7	H56 A59 L64 M259 E260	H56-K62 PolarHBondContact CE1-O 3.21Å; H56-K62 PolarHBondContact ND1-O 3.48Å; A59-K62 WeakPolarHBondContact O-CE 3.34Å; A59-K62 PolarHBondContact O-NZ 2.98Å; K62-L64 VanDerWaalsContact C-N 3.32Å; K62-L64 HydrophobicContact CB-CD1 4.32Å; K62-L64 HydrophobicContact CB-CD2 3.8Å; K62-L64 HydrophobicContact CB-CG 3.75Å; K62-L64 PolarHBondContact O-N 3.08Å; K62-M259 PolarHBondContact N-O 3.11Å; K62-E260 HydrophobicContact CB-CB 4.43Å
63	M	96.9	Very high	91.6	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.015	23%	0.226	C	C	.	.			trans	51	51.3	177.5	-54.3	-62.9	-76.2	0	0	112.4	M47 L51 V61 P65 Y238 I257 N258 M259	M47-M63 HydrophobicContact CB-CE 3.65Å; M47-M63 HydrophobicContact CB-SD 4.05Å; M47-M63 HydrophobicContact CE-CE 3.9Å; M47-M63 HydrophobicContact CG-CE 3.84Å; M47-M63 HydrophobicContact CG-SD 3.91Å; L51-M63 HydrophobicContact CD1-CE 3.97Å; L51-M63 HydrophobicContact CD2-CB 3.98Å; L51-M63 HydrophobicContact CD2-CE 4.19Å; L51-M63 HydrophobicContact CG-CB 4.09Å; L51-M63 HydrophobicContact CG-CE 3.87Å; L51-M63 HydrophobicContact CG-CG 4.29Å; V61-M63 HydrophobicContact CG1-CG 4.07Å; V61-M63 HydrophobicContact CG1-SD 3.67Å; M63-P65 WeakPolarHBondContact O-CD 3.37Å; M63-Y238 HydrophobicContact CE-CE1 3.65Å; M63-Y238 WeakPolarHBondContact CE-OH 3.22Å; M63-I257 VanDerWaalsContact C-CG2 3.47Å; M63-I257 HydrophobicContact CB-CG2 3.82Å; M63-I257 HydrophobicContact CE-CG2 3.9Å; M63-I257 HydrophobicContact SD-CG2 4.19Å; M63-N258 CarbonylContact C-O 3.56Å; M63-M259 HydrophobicContact CE-CG 4.32Å; M63-M259 PolarHBondContact N-O 3.15Å; M63-M259 HydrophobicContact SD-CB 3.93Å; M63-M259 HydrophobicContact SD-CG 3.71Å
64	L	95.1	Very high	90.9	Very high	13 Å²	13	38.9 Å²	38.9	7%	0.068	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	127.1	-171.8	-61.4	172.5	0	0	0	111.7	K62 N258 E260	K62-L64 VanDerWaalsContact C-N 3.32Å; K62-L64 HydrophobicContact CB-CD1 4.32Å; K62-L64 HydrophobicContact CB-CD2 3.8Å; K62-L64 HydrophobicContact CB-CG 3.75Å; K62-L64 PolarHBondContact O-N 3.08Å; L64-N258 HydrophobicContact CB-CB 4.38Å; L64-N258 PolarHBondContact N-O 3.1Å; L64-N258 PolarHBondContact O-N 2.66Å; L64-E260 HydrophobicContact CD1-CG 3.65Å; L64-E260 HydrophobicContact CG-CG 4.44Å
65	P	94.9	Very high	90.1	Very high	13 Å²	13	35.6 Å²	35.6	8%	0.084	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	132.6	171	-23.3	34.3	0	0	0	112.1	M63 F67 I245 M247 V248 M255	M63-P65 WeakPolarHBondContact O-CD 3.37Å; P65-F67 HydrophobicContact CB-CE2 4.1Å; P65-I245 HydrophobicContact CG-CG2 4.18Å; P65-M247 HydrophobicContact CG-CB 4.46Å; P65-V248 HydrophobicContact CB-CG2 3.6Å; P65-V248 HydrophobicContact CG-CG2 3.54Å; P65-M255 HydrophobicContact CB-SD 3.69Å
66	T	94	Very high	89.5	Confident	2 Å²	2	33.2 Å²	33.2	1%	0.012	19%	0.185	C	C	.	.			trans	-104.1	-10.4	-178	68.4	0	0	0	0	113.8	V68 V211 C256 N258	T66-V68 PolarHBondContact O-N 3.5Å; T66-V68 PolarHBondContact OG1-N 2.97Å; T66-V211 HydrophobicContact CG2-CG2 3.69Å; T66-C256 WeakPolarHBondContact CB-O 3.49Å; T66-C256 VanDerWaalsContact CG2-O 3.23Å; T66-C256 WeakPolarHBondContact CG2-O 3.17Å; T66-C256 PolarHBondContact N-O 3.36Å; T66-C256 WeakPolarHBondContact OG1-CB 3.25Å; T66-C256 PolarHBondContact OG1-O 3.29Å; T66-N258 HydrophobicContact CG2-CB 3.79Å
67	F	90.4	Very high	89.2	Confident	41 Å²	41	35.8 Å²	35.8	18%	0.18	20%	0.197	C	C	.	.			trans	60.6	8	-172	-63.6	-95.4	0	0	0	115.4	P65 R69 Q160 T161 L163 V248 M255	P65-F67 HydrophobicContact CB-CE2 4.1Å; F67-R69 PolarHBondContact O-N 3.21Å; F67-Q160 HydrophobicContact CD2-CB 3.94Å; F67-Q160 HydrophobicContact CE2-CB 4.08Å; F67-Q160 VanDerWaalsContact CE2-O 3.22Å; F67-Q160 WeakPolarHBondContact CE2-O 3.36Å; F67-T161 WeakPolarHBondContact CE1-O 3.26Å; F67-T161 VanDerWaalsContact CE2-C 3.49Å; F67-T161 WeakPolarHBondContact CZ-O 3.27Å; F67-L163 HydrophobicContact CB-CB 4.31Å; F67-L163 HydrophobicContact CB-CD1 4.34Å; F67-V248 HydrophobicContact CE1-CG1 4.43Å; F67-V248 HydrophobicContact CZ-CG2 4.47Å; F67-M255 HydrophobicContact CD1-CE 4.03Å; F67-M255 HydrophobicContact CE1-CE 4.37Å; F67-M255 HydrophobicContact CG-CE 4.32Å; F67-M255 PolarHBondContact N-SD 2.89Å; F67-M255 VanDerWaalsContact N-SD 3.38Å
68	V	92	Very high	89	Confident	5 Å²	5	32.5 Å²	32.5	3%	0.03	18%	0.181	C	C	.	.			trans	-81.6	102	167.8	-178.4	0	0	0	0	108.6	T66 L163 V207 V211 M215 M255 C256 V456	T66-V68 PolarHBondContact O-N 3.5Å; T66-V68 PolarHBondContact OG1-N 2.97Å; V68-L163 HydrophobicContact CG2-CD1 3.78Å; V68-V207 HydrophobicContact CG2-CG1 4.03Å; V68-V211 HydrophobicContact CB-CG1 4.32Å; V68-V211 HydrophobicContact CG2-CG1 3.81Å; V68-M215 HydrophobicContact CG1-CE 4.05Å; V68-M215 HydrophobicContact CG1-SD 3.93Å; V68-M255 WeakPolarHBondContact O-CA 3.49Å; V68-C256 HydrophobicContact CB-CB 4.12Å; V68-C256 PolarHBondContact O-N 3Å; V68-V456 HydrophobicContact CG1-CG2 4.46Å; V68-V456 HydrophobicContact CG2-CG1 3.77Å; V68-V456 HydrophobicContact CG2-CG2 4.25Å
69	R	87.8	Confident	88.9	Confident	112 Å²	112	30.8 Å²	30.8	42%	0.423	17%	0.165	S	C	.	.			trans	-90.8	-12.3	-173.2	-65.7	-170.1	177.8	-155.2	-2	115.1	F67 R254 M255	F67-R69 PolarHBondContact O-N 3.21Å; R69-R254 CarbonylContact C-O 3.56Å; R69-R254 VanDerWaalsContact CA-O 3.25Å; R69-R254 WeakPolarHBondContact CA-O 3.42Å; R69-R254 VanDerWaalsContact O-O 3.08Å; R69-M255 HydrophobicContact CG-CE 4.31Å
70	S	84.8	Confident	88.8	Confident	23 Å²	23	30.8 Å²	30.8	16%	0.161	17%	0.165	C	C	.	.			trans	-147.5	149.7	-178.5	-164.2	0	0	0	0	111.9	M215	S70-M215 WeakPolarHBondContact O-CE 3.25Å
71	T	86.4	Confident	88.9	Confident	15 Å²	15	30.2 Å²	30.2	9%	0.092	16%	0.16	C	C	.	.			trans	-83.1	162.5	168.5	53.1	0	0	0	0	109.8	D73 M214 M215 M239	T71-D73 PolarHBondContact O-N 2.96Å; T71-M214 HydrophobicContact CG2-CE 4.45Å; T71-M215 HydrophobicContact CG2-SD 4.47Å; T71-M239 HydrophobicContact CG2-CG 4.26Å; T71-M239 HydrophobicContact CG2-SD 4.35Å
72	P	84.4	Confident	88.8	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.006	16%	0.16	C	C	.	.			trans	-60.2	139.6	175.7	-21.2	34.4	0	0	0	111.4	E76 M215 Y219 H222 M455 V459	P72-E76 VanDerWaalsContact CA-OE1 3.29Å; P72-E76 WeakPolarHBondContact CA-OE1 3.5Å; P72-M215 HydrophobicContact CG-CE 3.96Å; P72-Y219 HydrophobicContact CB-CD2 3.94Å; P72-H222 PolarHBondContact O-CE1 2.79Å; P72-H222 PolarHBondContact O-ND1 3Å; P72-M455 HydrophobicContact CG-CB 4.25Å; P72-V459 HydrophobicContact CB-CG2 4.43Å; P72-V459 HydrophobicContact CG-CG2 4.31Å
73	D	77.2	Confident	88.9	Confident	71 Å²	71	26.8 Å²	26.8	38%	0.38	15%	0.146	S	C	.	.			trans	-114.8	0.8	178.4	67.9	17.3	0	0	0	113.6	T71 T75 E76 R462	T71-D73 PolarHBondContact O-N 2.96Å; D73-T75 WeakPolarHBondContact OD1-CB 3.44Å; D73-T75 PolarHBondContact OD1-N 3.09Å; D73-T75 PolarHBondContact OD1-OG1 3.4Å; D73-E76 PolarHBondContact N-OE1 2.8Å; D73-E76 PolarHBondContact N-OE2 3.23Å; D73-R462 IonicContact OD1-CZ 3.41Å; D73-R462 IonicContact OD1-NE 3.25Å; D73-R462 IonicContact OD1-NH1 3.04Å; D73-R462 IonicContact OD1-NH2 3.63Å; D73-R462 IonicContact OD2-CZ 3.45Å; D73-R462 IonicContact OD2-NE 2.92Å; D73-R462 IonicContact OD2-NH1 2.66Å; D73-R462 PolarHBondContact OD2-NH1 3.45Å; D73-R462 IonicContact OD2-NH2 2.96Å; D73-R462 PolarHBondContact OD2-NH2 2.85Å
74	G	76.9	Confident	88.6	Confident	22 Å²	22	27.1 Å²	27.1	23%	0.227	15%	0.147	C	C	.	.	S	Bend	trans	91.2	-3.5	177.3	0	0	0	0	0	113.9	E76	G74-E76 WeakPolarHBondContact CA-OE2 3.32Å; G74-E76 PolarHBondContact N-OE2 3.31Å
75	T	77.4	Confident	88.3	Confident	64 Å²	64	26.5 Å²	26.5	39%	0.393	14%	0.144	S	C	.	.			trans	-93.8	1.3	175	67	0	0	0	0	113	D73 H77 R462	D73-T75 WeakPolarHBondContact OD1-CB 3.44Å; D73-T75 PolarHBondContact OD1-N 3.09Å; D73-T75 PolarHBondContact OD1-OG1 3.4Å; T75-H77 PolarHBondContact O-ND1 3.1Å; T75-R462 WeakPolarHBondContact OG1-CD 3.28Å
76	E	83.1	Confident	87.3	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.005	15%	0.147	C	C	.	.			trans	-64.3	134.6	172.8	-64.2	78.6	-159.4	0	0	111.4	P72 D73 G74 V97 A458 V459 R462	P72-E76 VanDerWaalsContact CA-OE1 3.29Å; P72-E76 WeakPolarHBondContact CA-OE1 3.5Å; D73-E76 PolarHBondContact N-OE1 2.8Å; D73-E76 PolarHBondContact N-OE2 3.23Å; G74-E76 WeakPolarHBondContact CA-OE2 3.32Å; G74-E76 PolarHBondContact N-OE2 3.31Å; E76-V97 HydrophobicContact CB-CG1 4.41Å; E76-V97 WeakPolarHBondContact O-CG1 3.3Å; E76-A458 HydrophobicContact CB-CB 3.88Å; E76-A458 HydrophobicContact CG-CB 4.08Å; E76-V459 HydrophobicContact CG-CG2 3.79Å; E76-V459 WeakPolarHBondContact OE1-CG2 3.44Å; E76-R462 IonicContact OE1-CZ 3.28Å; E76-R462 IonicContact OE1-NE 2.66Å; E76-R462 PolarHBondContact OE1-NE 3.22Å; E76-R462 IonicContact OE1-NH2 2.83Å; E76-R462 PolarHBondContact OE1-NH2 2.93Å
77	H	86.8	Confident	86.2	Confident	82 Å²	82	27.8 Å²	27.8	38%	0.38	16%	0.16	S	C	.	.			trans	-148.7	154.4	177	64.6	-85.5	0	0	0	110.9	T75 F80 V97 D99	T75-H77 PolarHBondContact O-ND1 3.1Å; H77-F80 VanDerWaalsContact O-CZ 3.31Å; H77-F80 WeakPolarHBondContact O-CZ 3.46Å; H77-V97 CarbonylContact C-O 3.56Å; H77-V97 WeakPolarHBondContact CA-O 3.33Å; H77-D99 HydrophobicContact CB-CB 4.14Å
78	G	89.7	Confident	85	Confident	28 Å²	28	30 Å²	30	29%	0.289	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	134.4	-175.8	175.8	0	0	0	0	0	114.3	K96 V97	G78-K96 WeakPolarHBondContact O-CA 3.45Å; G78-V97 PolarHBondContact N-O 3.17Å; G78-V97 PolarHBondContact O-N 3.3Å
79	E	91.8	Very high	84.5	Confident	64 Å²	64	34.2 Å²	34.2	30%	0.299	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.8	174.4	-57.9	-175	-165.1	0	0	109.2	W94 K96 K146 L148	E79-W94 VanDerWaalsContact OE2-CZ2 3.31Å; E79-W94 WeakPolarHBondContact OE2-CZ2 3.35Å; E79-K96 HydrophobicContact CG-CD 4.42Å; E79-K96 HydrophobicContact CG-CG 4.07Å; E79-K146 IonicContact OE1-NZ 2.75Å; E79-K146 PolarHBondContact OE1-NZ 3.14Å; E79-K146 IonicContact OE2-NZ 3.64Å; E79-K146 PolarHBondContact OE2-NZ 3.34Å; E79-L148 HydrophobicContact CB-CD2 3.95Å
80	F	93	Very high	84.6	Confident	3 Å²	3	28.9 Å²	28.9	1%	0.013	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	145.6	-172	-50.9	-71.5	0	0	0	111.2	H77 W94 V95 V97 P149 A454 T457 A458	H77-F80 VanDerWaalsContact O-CZ 3.31Å; H77-F80 WeakPolarHBondContact O-CZ 3.46Å; F80-W94 WeakPolarHBondContact O-CA 3.44Å; F80-V95 PolarHBondContact N-O 3.48Å; F80-V95 PolarHBondContact O-N 2.87Å; F80-V97 HydrophobicContact CD2-CG2 4.14Å; F80-V97 HydrophobicContact CE2-CB 4.39Å; F80-V97 HydrophobicContact CE2-CG2 4Å; F80-P149 WeakPolarHBondContact CA-O 3.46Å; F80-P149 HydrophobicContact CD1-CB 4.07Å; F80-P149 HydrophobicContact CD1-CG 4.16Å; F80-P149 HydrophobicContact CE1-CG 4.36Å; F80-A454 HydrophobicContact CB-CB 4.17Å; F80-T457 HydrophobicContact CB-CG2 4.22Å; F80-T457 HydrophobicContact CD1-CG2 3.47Å; F80-T457 VanDerWaalsContact CD1-CG2 3.47Å; F80-T457 HydrophobicContact CE1-CG2 4.12Å; F80-T457 HydrophobicContact CG-CG2 4.07Å; F80-A458 HydrophobicContact CD2-CB 4.02Å; F80-A458 HydrophobicContact CE1-CB 4.24Å; F80-A458 HydrophobicContact CE2-CB 3.35Å; F80-A458 VanDerWaalsContact CZ-CA 3.5Å; F80-A458 HydrophobicContact CZ-CB 3.47Å; F80-A458 VanDerWaalsContact CZ-CB 3.47Å
81	L	94.6	Very high	84.9	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	145.2	165.4	-70.6	169.6	0	0	0	109.4	L93 W94 L134 F137 M138 I143 L148 P149 L150 G151 I201	L81-L93 CarbonylContact C-O 3.54Å; L81-L93 WeakPolarHBondContact CA-O 3.13Å; L81-W94 HydrophobicContact CD2-CB 4.25Å; L81-L134 HydrophobicContact CD1-CD1 4.37Å; L81-F137 HydrophobicContact CD2-CE1 4.31Å; L81-M138 HydrophobicContact CD1-CE 4.06Å; L81-M138 HydrophobicContact CD1-CG 4.48Å; L81-M138 HydrophobicContact CD1-SD 4.12Å; L81-I143 HydrophobicContact CD2-CD1 4.06Å; L81-L148 HydrophobicContact CD1-CB 3.97Å; L81-L148 HydrophobicContact CD1-CD1 4.21Å; L81-L148 HydrophobicContact CD2-CD1 4.35Å; L81-L148 HydrophobicContact CG-CB 4.03Å; L81-L148 HydrophobicContact CG-CD1 3.95Å; L81-P149 PolarHBondContact N-O 2.74Å; L81-L150 HydrophobicContact CB-CB 4.15Å; L81-L150 HydrophobicContact CB-CD1 3.81Å; L81-L150 HydrophobicContact CB-CG 4.01Å; L81-L150 HydrophobicContact CD1-CD1 4.34Å; L81-L150 VanDerWaalsContact O-CA 3.31Å; L81-L150 WeakPolarHBondContact O-CA 3.44Å; L81-G151 PolarHBondContact O-N 2.65Å; L81-I201 HydrophobicContact CD1-CG2 4.31Å
82	A	94.3	Very high	85.3	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	137.2	169.4	0	0	0	0	0	111.4	V92 L93 G151 G450 A453 A454	A82-V92 CarbonylContact O-C 3.48Å; A82-V92 WeakPolarHBondContact O-CA 3.37Å; A82-L93 HydrophobicContact CB-CB 4.25Å; A82-L93 HydrophobicContact CB-CD1 4.22Å; A82-L93 PolarHBondContact N-O 2.86Å; A82-L93 WeakPolarHBondContact O-CD1 3.43Å; A82-L93 PolarHBondContact O-N 3.17Å; A82-G151 CarbonylContact C-O 3.6Å; A82-G151 VanDerWaalsContact CA-O 3.23Å; A82-G151 WeakPolarHBondContact CA-O 3.36Å; A82-G450 WeakPolarHBondContact CB-O 3.49Å; A82-A453 HydrophobicContact CB-CB 4.13Å; A82-A454 HydrophobicContact CB-CB 4.12Å
83	L	94.3	Very high	85.7	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	141.5	171.2	-57.9	-174.5	0	0	0	108.7	F90 V92 I130 L134 L150 G151 F152 T153 I189	L83-F90 HydrophobicContact CB-CE2 4.04Å; L83-F90 HydrophobicContact CB-CZ 4.25Å; L83-F90 HydrophobicContact CD1-CZ 4.37Å; L83-F90 HydrophobicContact CD2-CE2 4.4Å; L83-F90 HydrophobicContact CD2-CZ 3.78Å; L83-F90 HydrophobicContact CG-CZ 4.33Å; L83-V92 HydrophobicContact CD2-CB 4.37Å; L83-V92 HydrophobicContact CD2-CG1 3.93Å; L83-V92 HydrophobicContact CD2-CG2 4.01Å; L83-I130 HydrophobicContact CD1-CG2 4.2Å; L83-L134 HydrophobicContact CD2-CD1 4.1Å; L83-L150 HydrophobicContact CD1-CD1 4.03Å; L83-L150 HydrophobicContact CD1-CD2 3.87Å; L83-L150 HydrophobicContact CD2-CD1 4.15Å; L83-L150 HydrophobicContact CG-CD1 3.84Å; L83-L150 HydrophobicContact CG-CD2 3.89Å; L83-L150 HydrophobicContact CG-CG 4.21Å; L83-G151 PolarHBondContact N-O 3.04Å; L83-F152 HydrophobicContact CB-CB 4.44Å; L83-F152 HydrophobicContact CB-CD2 3.44Å; L83-F152 VanDerWaalsContact CB-CD2 3.44Å; L83-F152 HydrophobicContact CB-CE2 3.9Å; L83-F152 HydrophobicContact CB-CG 4.12Å; L83-F152 HydrophobicContact CD1-CD2 4.31Å; L83-F152 HydrophobicContact CD1-CG 4.41Å; L83-F152 HydrophobicContact CG-CD2 4.46Å; L83-T153 PolarHBondContact O-N 3.43Å; L83-I189 HydrophobicContact CD1-CD1 3.43Å; L83-I189 VanDerWaalsContact CD1-CD1 3.43Å
84	D	92.4	Very high	86.5	Confident	9 Å²	9	27.7 Å²	27.7	5%	0.048	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	113.4	175.3	174.6	44.9	0	0	0	111.4	F90 R91 L93 T153 S449	D84-F90 WeakPolarHBondContact O-CD2 3.35Å; D84-R91 HydrophobicContact CB-CB 4.22Å; D84-R91 PolarHBondContact N-O 3.48Å; D84-R91 PolarHBondContact O-N 2.93Å; D84-R91 IonicContact OD2-CZ 2.84Å; D84-R91 IonicContact OD2-NE 3.27Å; D84-R91 PolarHBondContact OD2-NE 3.3Å; D84-R91 IonicContact OD2-NH2 3.15Å; D84-R91 PolarHBondContact OD2-NH2 3.06Å; D84-L93 HydrophobicContact CB-CD1 4.47Å; D84-T153 WeakPolarHBondContact OD1-CB 3.1Å; D84-T153 VanDerWaalsContact OD1-CG2 3.32Å; D84-T153 WeakPolarHBondContact OD1-CG2 3.34Å; D84-S449 VanDerWaalsContact CG-OG 3.26Å; D84-S449 PolarHBondContact OD1-OG 2.98Å; D84-S449 PolarHBondContact OD2-OG 2.92Å
85	L	89	Confident	87.2	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	109	-177.9	-177.7	65.4	0	0	0	110.2	F90 I114 I130 F152 T153 F154 S155 F156 F175	L85-F90 HydrophobicContact CB-CD2 4.14Å; L85-F90 HydrophobicContact CB-CE2 4.46Å; L85-F90 HydrophobicContact CD1-CD2 4.21Å; L85-I114 HydrophobicContact CD1-CD1 3.29Å; L85-I130 HydrophobicContact CD2-CD1 3.77Å; L85-F152 HydrophobicContact CB-CE2 3.76Å; L85-F152 HydrophobicContact CB-CZ 4.25Å; L85-F152 HydrophobicContact CD2-CE2 4.49Å; L85-F152 HydrophobicContact CD2-CZ 4.14Å; L85-T153 PolarHBondContact N-O 3.11Å; L85-F154 HydrophobicContact CB-CD2 4.46Å; L85-F154 HydrophobicContact CD2-CD2 3.95Å; L85-F154 HydrophobicContact CD2-CE2 3.85Å; L85-F154 HydrophobicContact CG-CD2 4.46Å; L85-S155 PolarHBondContact O-N 3.49Å; L85-F156 HydrophobicContact CG-CE2 4.41Å; L85-F175 HydrophobicContact CD1-CE1 4.18Å; L85-F175 HydrophobicContact CD1-CZ 3.86Å
86	G	72.2	Confident	87.8	Confident	15 Å²	15	26.2 Å²	26.2	16%	0.155	15%	0.146	C	C	.	.	S	Bend	trans	-156	-0.7	177.9	0	0	0	0	0	116.3	K173	G86-K173 WeakPolarHBondContact O-CD 3.39Å; G86-K173 PolarHBondContact O-NZ 2.86Å; G86-K173 VanDerWaalsContact O-NZ 3.12Å
87	G	71.6	Confident	88	Confident	27 Å²	27	26.4 Å²	26.4	28%	0.278	15%	0.147	S	C	.	.	S	Bend	trans	-158.3	-155.4	-178.5	0	0	0	0	0	111.1	N89 F175	G87-N89 VanDerWaalsContact C-N 3.27Å; G87-N89 PolarHBondContact O-N 3.39Å; G87-F175 WeakPolarHBondContact O-CE2 3.19Å; G87-F175 WeakPolarHBondContact O-CZ 3.25Å
88	T	65.8	Low	87.5	Confident	89 Å²	89	24.7 Å²	24.7	55%	0.546	14%	0.142	S	C	.	.	S	Bend	trans	-75.7	-12.8	-178.3	50	0	0	0	0	114.5	I114 M119	T88-I114 PolarHBondContact O-N 3.34Å; T88-M119 HydrophobicContact CG2-CE 4.39Å; T88-M119 HydrophobicContact CG2-SD 4.21Å
89	N	81.5	Confident	86.4	Confident	92 Å²	92	28.6 Å²	28.6	49%	0.492	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	118.9	178.2	-67	-39.4	0	0	0	109.4	G87 I111	G87-N89 VanDerWaalsContact C-N 3.27Å; G87-N89 PolarHBondContact O-N 3.39Å; N89-I111 HydrophobicContact CB-CG2 3.79Å
90	F	89.5	Confident	84.5	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	133.6	168.9	176.9	-125.4	0	0	0	109.3	L83 D84 L85 V92 I111 Y112 I114 I130 C133	L83-F90 HydrophobicContact CB-CE2 4.04Å; L83-F90 HydrophobicContact CB-CZ 4.25Å; L83-F90 HydrophobicContact CD1-CZ 4.37Å; L83-F90 HydrophobicContact CD2-CE2 4.4Å; L83-F90 HydrophobicContact CD2-CZ 3.78Å; L83-F90 HydrophobicContact CG-CZ 4.33Å; D84-F90 WeakPolarHBondContact O-CD2 3.35Å; L85-F90 HydrophobicContact CB-CD2 4.14Å; L85-F90 HydrophobicContact CB-CE2 4.46Å; L85-F90 HydrophobicContact CD1-CD2 4.21Å; F90-V92 HydrophobicContact CD1-CG2 4.17Å; F90-V92 HydrophobicContact CE1-CG2 3.44Å; F90-V92 VanDerWaalsContact CE1-CG2 3.44Å; F90-V92 HydrophobicContact CZ-CG2 3.82Å; F90-I111 CarbonylContact O-C 3.51Å; F90-I111 WeakPolarHBondContact O-CA 3.11Å; F90-Y112 HydrophobicContact CD1-CD2 4.15Å; F90-Y112 HydrophobicContact CD1-CG 4.49Å; F90-Y112 PolarHBondContact N-O 2.97Å; F90-Y112 PolarHBondContact O-N 3.28Å; F90-I114 HydrophobicContact CB-CD1 3.95Å; F90-I114 HydrophobicContact CB-CG1 3.93Å; F90-I130 HydrophobicContact CE1-CG2 4.25Å; F90-I130 HydrophobicContact CE2-CG1 4.46Å; F90-I130 HydrophobicContact CE2-CG2 4.29Å; F90-I130 HydrophobicContact CZ-CB 4.4Å; F90-I130 HydrophobicContact CZ-CG1 4.36Å; F90-I130 HydrophobicContact CZ-CG2 3.7Å; F90-C133 HydrophobicContact CD1-CB 3.81Å; F90-C133 HydrophobicContact CE1-CB 3.59Å
91	R	91.7	Very high	82.6	Confident	57 Å²	57	34.4 Å²	34.4	22%	0.215	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	138.8	176.9	-51.7	-173.7	-80.1	172.1	-6.8	110.7	D84 L93 Q110 I111 D447	D84-R91 HydrophobicContact CB-CB 4.22Å; D84-R91 PolarHBondContact N-O 3.48Å; D84-R91 PolarHBondContact O-N 2.93Å; D84-R91 IonicContact OD2-CZ 2.84Å; D84-R91 IonicContact OD2-NE 3.27Å; D84-R91 PolarHBondContact OD2-NE 3.3Å; D84-R91 IonicContact OD2-NH2 3.15Å; D84-R91 PolarHBondContact OD2-NH2 3.06Å; R91-L93 HydrophobicContact CB-CD1 4.07Å; R91-Q110 WeakPolarHBondContact CA-O 3.26Å; R91-I111 HydrophobicContact CG-CG1 4.13Å; R91-D447 PolarHBondContact NH1-O 2.99Å; R91-D447 VanDerWaalsContact NH1-O 3.11Å
92	V	94	Very high	80.6	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.4	168.6	-171.6	0	0	0	0	107.5	A82 L83 F90 N109 Q110 Y112 L134 F137	A82-V92 CarbonylContact O-C 3.48Å; A82-V92 WeakPolarHBondContact O-CA 3.37Å; L83-V92 HydrophobicContact CD2-CB 4.37Å; L83-V92 HydrophobicContact CD2-CG1 3.93Å; L83-V92 HydrophobicContact CD2-CG2 4.01Å; F90-V92 HydrophobicContact CD1-CG2 4.17Å; F90-V92 HydrophobicContact CE1-CG2 3.44Å; F90-V92 VanDerWaalsContact CE1-CG2 3.44Å; F90-V92 HydrophobicContact CZ-CG2 3.82Å; V92-N109 CarbonylContact O-C 3.46Å; V92-N109 VanDerWaalsContact O-CA 3.26Å; V92-N109 WeakPolarHBondContact O-CA 3.45Å; V92-Q110 PolarHBondContact N-O 2.93Å; V92-Q110 PolarHBondContact O-N 3.18Å; V92-Y112 HydrophobicContact CB-CE2 4.3Å; V92-Y112 HydrophobicContact CG2-CD2 4.02Å; V92-Y112 HydrophobicContact CG2-CE2 3.76Å; V92-L134 HydrophobicContact CG1-CD1 3.75Å; V92-F137 HydrophobicContact CB-CB 4.29Å; V92-F137 HydrophobicContact CB-CD1 4.12Å; V92-F137 HydrophobicContact CB-CD2 4.39Å; V92-F137 HydrophobicContact CB-CG 4.02Å; V92-F137 HydrophobicContact CG1-CB 3.99Å; V92-F137 HydrophobicContact CG1-CD1 3.32Å; V92-F137 HydrophobicContact CG1-CD2 4.45Å; V92-F137 HydrophobicContact CG1-CE1 3.78Å; V92-F137 HydrophobicContact CG1-CG 3.68Å
93	L	93.8	Very high	79	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	144	-177.5	-50.2	88.7	0	0	0	110.2	L81 A82 D84 R91 V95 M107 E108 N109	L81-L93 CarbonylContact C-O 3.54Å; L81-L93 WeakPolarHBondContact CA-O 3.13Å; A82-L93 HydrophobicContact CB-CB 4.25Å; A82-L93 HydrophobicContact CB-CD1 4.22Å; A82-L93 PolarHBondContact N-O 2.86Å; A82-L93 WeakPolarHBondContact O-CD1 3.43Å; A82-L93 PolarHBondContact O-N 3.17Å; D84-L93 HydrophobicContact CB-CD1 4.47Å; R91-L93 HydrophobicContact CB-CD1 4.07Å; L93-V95 HydrophobicContact CB-CG2 4.2Å; L93-M107 HydrophobicContact CD2-CG 4.3Å; L93-M107 HydrophobicContact CD2-SD 3.57Å; L93-M107 VanDerWaalsContact CD2-SD 3.57Å; L93-E108 CarbonylContact C-O 3.46Å; L93-E108 VanDerWaalsContact CA-O 3.3Å; L93-E108 WeakPolarHBondContact CA-O 3.39Å; L93-N109 HydrophobicContact CB-CB 4.34Å; L93-N109 HydrophobicContact CD2-CB 4.11Å; L93-N109 HydrophobicContact CG-CB 3.83Å
94	W	93.9	Very high	77.8	Confident	28 Å²	28	51.7 Å²	51.7	11%	0.106	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	118.6	165	179.2	40.3	0	0	0	108	E79 F80 L81 K96 M107 E108 F137 L141 I143	E79-W94 VanDerWaalsContact OE2-CZ2 3.31Å; E79-W94 WeakPolarHBondContact OE2-CZ2 3.35Å; F80-W94 WeakPolarHBondContact O-CA 3.44Å; L81-W94 HydrophobicContact CD2-CB 4.25Å; W94-K96 VanDerWaalsContact CE2-CE 3.46Å; W94-K96 VanDerWaalsContact CH2-NZ 3.26Å; W94-K96 HydrophobicContact CZ2-CD 4.41Å; W94-M107 WeakPolarHBondContact O-CA 3.32Å; W94-E108 HydrophobicContact CE3-CB 4.47Å; W94-E108 HydrophobicContact CE3-CG 4.38Å; W94-E108 PolarHBondContact N-O 3.27Å; W94-E108 PolarHBondContact O-N 2.87Å; W94-F137 HydrophobicContact CB-CE1 3.89Å; W94-F137 HydrophobicContact CB-CZ 4.13Å; W94-L141 HydrophobicContact CB-CD1 4.11Å; W94-L141 HydrophobicContact CD2-CD1 4.33Å; W94-L141 HydrophobicContact CE3-CD1 3.76Å; W94-L141 HydrophobicContact CZ3-CD1 4.44Å; W94-I143 HydrophobicContact CD2-CD1 4.32Å; W94-I143 HydrophobicContact CG-CD1 4.29Å; W94-I143 HydrophobicContact CH2-CG2 3.96Å; W94-I143 HydrophobicContact CZ2-CG2 3.92Å
95	V	91.3	Very high	77.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.7	-171.2	-176.4	0	0	0	0	108.7	F80 L93 V97 V105 E106 M107 A454 M455	F80-V95 PolarHBondContact N-O 3.48Å; F80-V95 PolarHBondContact O-N 2.87Å; L93-V95 HydrophobicContact CB-CG2 4.2Å; V95-V97 HydrophobicContact CG1-CG2 4.22Å; V95-V105 HydrophobicContact CG1-CG1 3.42Å; V95-V105 VanDerWaalsContact CG1-CG1 3.42Å; V95-E106 WeakPolarHBondContact CA-O 3.25Å; V95-M107 HydrophobicContact CG2-CG 4.19Å; V95-A454 HydrophobicContact CB-CB 3.57Å; V95-A454 HydrophobicContact CG1-CB 3.86Å; V95-A454 HydrophobicContact CG2-CB 3.53Å; V95-M455 HydrophobicContact CG1-CE 3.72Å
96	K	90.3	Very high	77.1	Confident	55 Å²	55	57.5 Å²	57.5	24%	0.239	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.1	173.7	-53	-176.3	-179.4	167.2	0	109.4	G78 E79 W94 V105 E106	G78-K96 WeakPolarHBondContact O-CA 3.45Å; E79-K96 HydrophobicContact CG-CD 4.42Å; E79-K96 HydrophobicContact CG-CG 4.07Å; W94-K96 VanDerWaalsContact CE2-CE 3.46Å; W94-K96 VanDerWaalsContact CH2-NZ 3.26Å; W94-K96 HydrophobicContact CZ2-CD 4.41Å; K96-V105 WeakPolarHBondContact O-CA 3.29Å; K96-E106 HydrophobicContact CB-CB 4.27Å; K96-E106 PolarHBondContact N-O 2.56Å; K96-E106 PolarHBondContact O-N 2.98Å
97	V	85.8	Confident	77.8	Confident	5 Å²	5	59 Å²	59	3%	0.03	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	117.2	177.1	-166.8	0	0	0	0	107.6	E76 H77 G78 F80 V95 Y219 M455	E76-V97 HydrophobicContact CB-CG1 4.41Å; E76-V97 WeakPolarHBondContact O-CG1 3.3Å; H77-V97 CarbonylContact C-O 3.56Å; H77-V97 WeakPolarHBondContact CA-O 3.33Å; G78-V97 PolarHBondContact N-O 3.17Å; G78-V97 PolarHBondContact O-N 3.3Å; F80-V97 HydrophobicContact CD2-CG2 4.14Å; F80-V97 HydrophobicContact CE2-CB 4.39Å; F80-V97 HydrophobicContact CE2-CG2 4Å; V95-V97 HydrophobicContact CG1-CG2 4.22Å; V97-Y219 HydrophobicContact CG1-CE2 4.14Å; V97-M455 HydrophobicContact CG2-CE 3.49Å; V97-M455 VanDerWaalsContact CG2-CE 3.49Å; V97-M455 HydrophobicContact CG2-SD 4.33Å
98	T	78	Confident	78.8	Confident	45 Å²	45	63 Å²	63	28%	0.276	34%	0.335	S	S	.	.			trans	-105.5	137.6	-177.5	62.9	0	0	0	0	111.5	N100 K104	T98-N100 WeakPolarHBondContact CB-OD1 3.32Å; T98-N100 PolarHBondContact O-N 3.19Å; T98-K104 PolarHBondContact OG1-O 2.97Å
99	D	65.6	Low	80	Confident	111 Å²	111	62.4 Å²	62.4	59%	0.594	33%	0.328	S	S	*	.			trans	-77.4	28.7	-178.3	-167.9	20.8	0	0	0	113.8	H77 G101	H77-D99 HydrophobicContact CB-CB 4.14Å; D99-G101 PolarHBondContact O-N 2.62Å; D99-G101 VanDerWaalsContact O-N 3.15Å
100	N	52.6	Low	80.5	Confident	111 Å²	111	60.3 Å²	60.3	59%	0.594	32%	0.316	S	S	*	.	S	Bend	trans	-85.8	11.8	-164.1	-53.4	4.1	0	0	0	113.3	T98 L102	T98-N100 WeakPolarHBondContact CB-OD1 3.32Å; T98-N100 PolarHBondContact O-N 3.19Å; N100-L102 PolarHBondContact O-N 2.85Å
101	G	53.1	Low	80.6	Confident	78 Å²	78	64.9 Å²	64.9	80%	0.804	34%	0.339	S	S	*	.	S	Bend	trans	65.9	-2.9	-172.7	0	0	0	0	0	115.5	D99	D99-G101 PolarHBondContact O-N 2.62Å; D99-G101 VanDerWaalsContact O-N 3.15Å
102	L	52.4	Low	80.7	Confident	144 Å²	144	63.5 Å²	63.5	75%	0.754	33%	0.334	S	S	*	.	S	Bend	trans	-98.5	-1.8	-179.5	-71.3	169	0	0	0	113.6	N100 K104	N100-L102 PolarHBondContact O-N 2.85Å; L102-K104 PolarHBondContact O-N 3.32Å; L102-K104 VanDerWaalsContact O-N 3.08Å
103	Q	60.5	Low	80.4	Confident	85 Å²	85	66.9 Å²	66.9	40%	0.397	36%	0.362	S	S	.	.			trans	47.3	37.3	-178.2	-67.4	-178.4	-25	0	0	113.8	V105 Y219	Q103-V105 PolarHBondContact O-N 3.39Å; Q103-Y219 WeakPolarHBondContact CA-OH 3.32Å; Q103-Y219 HydrophobicContact CB-CE1 3.94Å
104	K	67.9	Low	80.2	Confident	134 Å²	134	67.3 Å²	67.3	58%	0.583	37%	0.365	S	S	*	.			trans	-88.3	115.1	-179.3	-161.9	-178.5	179.7	-165	0	109.3	T98 L102	T98-K104 PolarHBondContact OG1-O 2.97Å; L102-K104 PolarHBondContact O-N 3.32Å; L102-K104 VanDerWaalsContact O-N 3.08Å
105	V	80.1	Confident	79.9	Confident	32 Å²	32	68.7 Å²	68.7	19%	0.194	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	122.5	171.5	178.7	0	0	0	0	108.4	V95 K96 Q103 Y219 M455	V95-V105 HydrophobicContact CG1-CG1 3.42Å; V95-V105 VanDerWaalsContact CG1-CG1 3.42Å; K96-V105 WeakPolarHBondContact O-CA 3.29Å; Q103-V105 PolarHBondContact O-N 3.39Å; V105-Y219 HydrophobicContact CG2-CD1 4.2Å; V105-Y219 HydrophobicContact CG2-CE1 3.52Å; V105-M455 HydrophobicContact CG1-CE 4.4Å; V105-M455 HydrophobicContact CG2-CE 4.36Å
106	E	86.8	Confident	79.7	Confident	98 Å²	98	74 Å²	74	46%	0.458	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	132.7	169	-61.3	-176	168.1	0	0	108.9	V95 K96	V95-E106 WeakPolarHBondContact CA-O 3.25Å; K96-E106 HydrophobicContact CB-CB 4.27Å; K96-E106 PolarHBondContact N-O 2.56Å; K96-E106 PolarHBondContact O-N 2.98Å
107	M	88.1	Confident	79.6	Confident	47 Å²	47	77 Å²	77	23%	0.232	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	126.5	-173.7	-178	-178.6	64.3	0	0	111.1	L93 W94 V95 D447 K451	L93-M107 HydrophobicContact CD2-CG 4.3Å; L93-M107 HydrophobicContact CD2-SD 3.57Å; L93-M107 VanDerWaalsContact CD2-SD 3.57Å; W94-M107 WeakPolarHBondContact O-CA 3.32Å; V95-M107 HydrophobicContact CG2-CG 4.19Å; M107-D447 HydrophobicContact CE-CB 3.65Å; M107-D447 VanDerWaalsContact CE-OD1 3.27Å; M107-D447 WeakPolarHBondContact CE-OD1 3.47Å; M107-D447 HydrophobicContact SD-CB 4.14Å; M107-K451 HydrophobicContact SD-CB 4.47Å
108	E	91.2	Very high	79.9	Confident	110 Å²	110	78.1 Å²	78.1	51%	0.514	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	137.9	166	-70.9	-67.4	166.7	0	0	108.3	L93 W94 F137 L141	L93-E108 CarbonylContact C-O 3.46Å; L93-E108 VanDerWaalsContact CA-O 3.3Å; L93-E108 WeakPolarHBondContact CA-O 3.39Å; W94-E108 HydrophobicContact CE3-CB 4.47Å; W94-E108 HydrophobicContact CE3-CG 4.38Å; W94-E108 PolarHBondContact N-O 3.27Å; W94-E108 PolarHBondContact O-N 2.87Å; E108-F137 HydrophobicContact CB-CZ 4.49Å; E108-L141 HydrophobicContact CB-CD1 4.41Å
109	N	91.5	Very high	80.3	Confident	77 Å²	77	76.7 Å²	76.7	41%	0.412	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	157.9	177.1	72.5	69.1	0	0	0	113	V92 L93	V92-N109 CarbonylContact O-C 3.46Å; V92-N109 VanDerWaalsContact O-CA 3.26Å; V92-N109 WeakPolarHBondContact O-CA 3.45Å; L93-N109 HydrophobicContact CB-CB 4.34Å; L93-N109 HydrophobicContact CD2-CB 4.11Å; L93-N109 HydrophobicContact CG-CB 3.83Å
110	Q	93.3	Very high	81.4	Confident	49 Å²	49	78.1 Å²	78.1	23%	0.229	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	138	172.7	-172.9	164	-24	0	0	110.6	R91 V92 Y112 F137	R91-Q110 WeakPolarHBondContact CA-O 3.26Å; V92-Q110 PolarHBondContact N-O 2.93Å; V92-Q110 PolarHBondContact O-N 3.18Å; Q110-Y112 HydrophobicContact CB-CE2 3.98Å; Q110-Y112 VanDerWaalsContact CD-OH 3.26Å; Q110-Y112 HydrophobicContact CG-CD2 4.36Å; Q110-Y112 HydrophobicContact CG-CE1 4.4Å; Q110-Y112 HydrophobicContact CG-CE2 3.75Å; Q110-Y112 VanDerWaalsContact NE2-CZ 3.35Å; Q110-Y112 PolarHBondContact NE2-OH 2.86Å; Q110-Y112 VanDerWaalsContact NE2-OH 3.16Å; Q110-F137 HydrophobicContact CB-CD2 3.54Å; Q110-F137 HydrophobicContact CB-CE2 3.75Å
111	I	91.7	Very high	83.3	Confident	95 Å²	95	73.7 Å²	73.7	49%	0.487	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	132.5	177.8	-50.8	-176.9	0	0	0	109.1	N89 F90 R91	N89-I111 HydrophobicContact CB-CG2 3.79Å; F90-I111 CarbonylContact O-C 3.51Å; F90-I111 WeakPolarHBondContact O-CA 3.11Å; R91-I111 HydrophobicContact CG-CG1 4.13Å
112	Y	92.1	Very high	85.3	Confident	28 Å²	28	71.5 Å²	71.5	11%	0.11	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.2	175.1	-63.2	-87.6	0	0	0	109.2	F90 V92 Q110 C133 F137	F90-Y112 HydrophobicContact CD1-CD2 4.15Å; F90-Y112 HydrophobicContact CD1-CG 4.49Å; F90-Y112 PolarHBondContact N-O 2.97Å; F90-Y112 PolarHBondContact O-N 3.28Å; V92-Y112 HydrophobicContact CB-CE2 4.3Å; V92-Y112 HydrophobicContact CG2-CD2 4.02Å; V92-Y112 HydrophobicContact CG2-CE2 3.76Å; Q110-Y112 HydrophobicContact CB-CE2 3.98Å; Q110-Y112 VanDerWaalsContact CD-OH 3.26Å; Q110-Y112 HydrophobicContact CG-CD2 4.36Å; Q110-Y112 HydrophobicContact CG-CE1 4.4Å; Q110-Y112 HydrophobicContact CG-CE2 3.75Å; Q110-Y112 VanDerWaalsContact NE2-CZ 3.35Å; Q110-Y112 PolarHBondContact NE2-OH 2.86Å; Q110-Y112 VanDerWaalsContact NE2-OH 3.16Å; Y112-C133 HydrophobicContact CD1-CB 3.99Å; Y112-C133 VanDerWaalsContact CD1-SG 3.57Å; Y112-C133 HydrophobicContact CD2-CB 3.77Å; Y112-C133 HydrophobicContact CE1-CB 4.15Å; Y112-C133 HydrophobicContact CE2-CB 3.93Å; Y112-C133 HydrophobicContact CG-CB 3.79Å; Y112-C133 VanDerWaalsContact CG-SG 3.54Å; Y112-C133 PolarHBondContact OH-O 3.37Å; Y112-F137 PolarHBondContact OH-N 3.45Å
113	A	88.9	Confident	87.3	Confident	72 Å²	72	64.9 Å²	64.9	60%	0.595	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	142.9	171.6	0	0	0	0	0	109.9	H129	A113-H129 PolarHBondContact O-NE2 3.08Å
114	I	88.2	Confident	89	Confident	10 Å²	10	64.5 Å²	64.5	5%	0.051	34%	0.336	C	S	.	.			trans	-106.2	114.4	169.6	-47.4	-179.7	0	0	0	108.1	L85 T88 F90 I118 M119 L126 F175	L85-I114 HydrophobicContact CD1-CD1 3.29Å; T88-I114 PolarHBondContact O-N 3.34Å; F90-I114 HydrophobicContact CB-CD1 3.95Å; F90-I114 HydrophobicContact CB-CG1 3.93Å; I114-I118 HydrophobicContact CG2-CB 4.09Å; I114-I118 HydrophobicContact CG2-CG2 3.96Å; I114-M119 HydrophobicContact CB-CG 4.09Å; I114-M119 HydrophobicContact CG2-CG 3.61Å; I114-L126 HydrophobicContact CG2-CD1 4.36Å; I114-F175 HydrophobicContact CD1-CE1 4.28Å; I114-F175 HydrophobicContact CD1-CZ 4.07Å
115	P	89.6	Confident	90.3	Very high	56 Å²	56	63.1 Å²	63.1	36%	0.364	33%	0.332	S	S	.	.			trans	-56.3	144.8	173.2	-24.8	33.8	0	0	0	112.7	D117 I118 M119	P115-D117 VanDerWaalsContact C-N 3.26Å; P115-D117 WeakPolarHBondContact CB-OD1 3.29Å; P115-D117 PolarHBondContact O-N 2.96Å; P115-I118 HydrophobicContact CB-CD1 4.43Å; P115-I118 HydrophobicContact CB-CG1 4.18Å; P115-I118 HydrophobicContact CG-CD1 4.02Å; P115-I118 HydrophobicContact CG-CG1 4.31Å; P115-I118 WeakPolarHBondContact O-CB 3.44Å; P115-I118 PolarHBondContact O-N 2.89Å; P115-M119 PolarHBondContact O-N 3.45Å
116	E	85.6	Confident	91	Very high	112 Å²	112	61.6 Å²	61.6	52%	0.523	32%	0.323	S	S	.	.	H	α-helix	trans	-62.4	-33.7	-177.1	-171	178.1	-175.6	0	0	112.4	I118 M119 R120	E116-I118 VanDerWaalsContact C-N 3.31Å; E116-I118 PolarHBondContact O-N 3.47Å; E116-M119 PolarHBondContact O-N 2.95Å; E116-R120 PolarHBondContact O-N 2.85Å; E116-R120 IonicContact OE1-CZ 3.73Å; E116-R120 IonicContact OE1-NE 3.87Å; E116-R120 IonicContact OE1-NH1 3.58Å; E116-R120 PolarHBondContact OE1-NH1 2.78Å; E116-R120 IonicContact OE1-NH2 3.8Å; E116-R120 PolarHBondContact OE1-NH2 3.42Å
117	D	89.8	Confident	91.4	Very high	119 Å²	119	57 Å²	57	64%	0.636	30%	0.301	S	S	*	.	H	α-helix	trans	-65.7	-31.2	174.2	60.7	-58.8	0	0	0	112.5	P115 G121	P115-D117 VanDerWaalsContact C-N 3.26Å; P115-D117 WeakPolarHBondContact CB-OD1 3.29Å; P115-D117 PolarHBondContact O-N 2.96Å; D117-G121 VanDerWaalsContact O-CA 3.25Å; D117-G121 WeakPolarHBondContact O-CA 3.35Å; D117-G121 PolarHBondContact O-N 3.33Å
118	I	90.9	Very high	91.8	Very high	27 Å²	27	57.5 Å²	57.5	14%	0.138	30%	0.304	C	S	.	.	H	α-helix	trans	-74.8	-43.2	172	-61.3	-171.5	0	0	0	110.5	I114 P115 E116 R120 G121 L126 H129 S177	I114-I118 HydrophobicContact CG2-CB 4.09Å; I114-I118 HydrophobicContact CG2-CG2 3.96Å; P115-I118 HydrophobicContact CB-CD1 4.43Å; P115-I118 HydrophobicContact CB-CG1 4.18Å; P115-I118 HydrophobicContact CG-CD1 4.02Å; P115-I118 HydrophobicContact CG-CG1 4.31Å; P115-I118 WeakPolarHBondContact O-CB 3.44Å; P115-I118 PolarHBondContact O-N 2.89Å; E116-I118 VanDerWaalsContact C-N 3.31Å; E116-I118 PolarHBondContact O-N 3.47Å; I118-R120 PolarHBondContact O-N 2.83Å; I118-G121 PolarHBondContact O-N 2.82Å; I118-L126 HydrophobicContact CG2-CB 4.32Å; I118-L126 HydrophobicContact CG2-CD1 4.09Å; I118-H129 HydrophobicContact CD1-CB 4.19Å; I118-H129 HydrophobicContact CG2-CB 4.33Å; I118-S177 PolarHBondContact O-OG 3.29Å
119	M	87.3	Confident	92	Very high	15 Å²	15	53.9 Å²	53.9	7%	0.074	29%	0.287	C	S	.	.	H	α-helix	trans	-60	-26.9	177.6	-66.3	178.1	61.1	0	0	113.4	T88 I114 P115 E116 F175 K176 S177	T88-M119 HydrophobicContact CG2-CE 4.39Å; T88-M119 HydrophobicContact CG2-SD 4.21Å; I114-M119 HydrophobicContact CB-CG 4.09Å; I114-M119 HydrophobicContact CG2-CG 3.61Å; P115-M119 PolarHBondContact O-N 3.45Å; E116-M119 PolarHBondContact O-N 2.95Å; M119-F175 HydrophobicContact CB-CD1 4.3Å; M119-F175 HydrophobicContact CB-CE1 4.42Å; M119-F175 HydrophobicContact CE-CD1 4.42Å; M119-F175 HydrophobicContact CE-CD2 3.69Å; M119-F175 HydrophobicContact CE-CE1 4.28Å; M119-F175 HydrophobicContact CE-CE2 3.55Å; M119-F175 HydrophobicContact CE-CG 4.14Å; M119-F175 HydrophobicContact CE-CZ 3.86Å; M119-F175 HydrophobicContact CG-CD1 4.34Å; M119-F175 HydrophobicContact CG-CE1 3.98Å; M119-F175 HydrophobicContact CG-CZ 4.23Å; M119-K176 PolarHBondContact O-N 3.03Å; M119-S177 PolarHBondContact O-N 2.83Å; M119-S177 PolarHBondContact O-OG 3.49Å; M119-S177 VanDerWaalsContact O-OG 3.09Å
120	R	88.8	Confident	92.1	Very high	142 Å²	142	50.2 Å²	50.2	54%	0.536	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	5	179.1	-61.6	-175.2	-179.9	151.6	12.6	113.8	E116 I118	E116-R120 PolarHBondContact O-N 2.85Å; E116-R120 IonicContact OE1-CZ 3.73Å; E116-R120 IonicContact OE1-NE 3.87Å; E116-R120 IonicContact OE1-NH1 3.58Å; E116-R120 PolarHBondContact OE1-NH1 2.78Å; E116-R120 IonicContact OE1-NH2 3.8Å; E116-R120 PolarHBondContact OE1-NH2 3.42Å; I118-R120 PolarHBondContact O-N 2.83Å
121	G	91.4	Very high	92.2	Very high	17 Å²	17	48 Å²	48	18%	0.175	26%	0.258	C	S	.	.	S	Bend	trans	-83.8	-147.1	-178.6	0	0	0	0	0	113	D117 I118 S177 S178	D117-G121 VanDerWaalsContact O-CA 3.25Å; D117-G121 WeakPolarHBondContact O-CA 3.35Å; D117-G121 PolarHBondContact O-N 3.33Å; I118-G121 PolarHBondContact O-N 2.82Å; G121-S177 CarbonylContact O-C 3.59Å; G121-S177 WeakPolarHBondContact O-CA 3.37Å; G121-S178 PolarHBondContact O-N 2.97Å
122	S	95.8	Very high	92.4	Very high	33 Å²	33	48 Å²	48	23%	0.231	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-85.1	152.6	173.7	67.3	0	0	0	0	112.4	T124 Q125 L126	S122-T124 PolarHBondContact O-N 2.95Å; S122-Q125 PolarHBondContact O-N 2.69Å; S122-Q125 VanDerWaalsContact OG-CG 3.27Å; S122-Q125 WeakPolarHBondContact OG-CG 3.47Å; S122-Q125 PolarHBondContact OG-N 2.98Å; S122-Q125 PolarHBondContact OG-OE1 3.07Å; S122-L126 PolarHBondContact O-N 2.86Å; S122-L126 VanDerWaalsContact O-N 3.13Å
123	G	94.1	Very high	92.5	Very high	4 Å²	4	46.9 Å²	46.9	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-56.3	-39.9	171.9	0	0	0	0	0	112.4	Q125 L126 F127 S178	G123-Q125 PolarHBondContact O-N 3.09Å; G123-L126 PolarHBondContact O-N 3.05Å; G123-F127 WeakPolarHBondContact O-CD2 3.29Å; G123-F127 PolarHBondContact O-N 3.16Å; G123-S178 PolarHBondContact N-O 3.47Å
124	T	95.4	Very high	92.8	Very high	77 Å²	77	43.4 Å²	43.4	47%	0.472	22%	0.224	S	C	.	.	H	α-helix	trans	-56.4	-48.2	175.5	-58.2	0	0	0	0	111.7	S122 L126 F127 D128	S122-T124 PolarHBondContact O-N 2.95Å; T124-L126 PolarHBondContact O-N 3.21Å; T124-F127 PolarHBondContact O-N 2.95Å; T124-D128 WeakPolarHBondContact CG2-OD2 3.45Å; T124-D128 WeakPolarHBondContact O-CB 3.24Å; T124-D128 PolarHBondContact O-N 2.73Å
125	Q	95.6	Very high	93.1	Very high	106 Å²	106	43 Å²	43	50%	0.495	22%	0.221	S	C	.	.	H	α-helix	trans	-61.2	-42.6	177.5	-73.9	165.2	-54.7	0	0	112.3	S122 G123 H129	S122-Q125 PolarHBondContact O-N 2.69Å; S122-Q125 VanDerWaalsContact OG-CG 3.27Å; S122-Q125 WeakPolarHBondContact OG-CG 3.47Å; S122-Q125 PolarHBondContact OG-N 2.98Å; S122-Q125 PolarHBondContact OG-OE1 3.07Å; G123-Q125 PolarHBondContact O-N 3.09Å; Q125-H129 WeakPolarHBondContact O-CB 3.4Å; Q125-H129 PolarHBondContact O-N 3.44Å
126	L	95.3	Very high	93.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-49.4	178	176.3	63.9	0	0	0	111.8	I114 I118 S122 G123 T124 H129 I130 W171 F175	I114-L126 HydrophobicContact CG2-CD1 4.36Å; I118-L126 HydrophobicContact CG2-CB 4.32Å; I118-L126 HydrophobicContact CG2-CD1 4.09Å; S122-L126 PolarHBondContact O-N 2.86Å; S122-L126 VanDerWaalsContact O-N 3.13Å; G123-L126 PolarHBondContact O-N 3.05Å; T124-L126 PolarHBondContact O-N 3.21Å; L126-H129 WeakPolarHBondContact O-CB 3.26Å; L126-H129 PolarHBondContact O-N 2.82Å; L126-I130 HydrophobicContact CD1-CD1 4.29Å; L126-I130 HydrophobicContact CG-CD1 4.14Å; L126-I130 WeakPolarHBondContact O-CG1 3.22Å; L126-I130 PolarHBondContact O-N 3.41Å; L126-W171 HydrophobicContact CD2-CH2 3.95Å; L126-W171 HydrophobicContact CD2-CZ2 4.23Å; L126-F175 HydrophobicContact CD1-CE1 4.34Å
127	F	95.6	Very high	93.8	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-74.3	-29.5	-177.4	-74	-75.7	0	0	0	113.1	G123 T124 I130 A131 F152 V180 V185 L188 I189 A192	G123-F127 WeakPolarHBondContact O-CD2 3.29Å; G123-F127 PolarHBondContact O-N 3.16Å; T124-F127 PolarHBondContact O-N 2.95Å; F127-I130 HydrophobicContact CD1-CD1 4.02Å; F127-I130 HydrophobicContact CE1-CD1 4.31Å; F127-I130 PolarHBondContact O-N 2.97Å; F127-A131 WeakPolarHBondContact O-CB 3.26Å; F127-A131 PolarHBondContact O-N 3Å; F127-F152 HydrophobicContact CE1-CE1 4.42Å; F127-V180 HydrophobicContact CE2-CG1 3.9Å; F127-V180 HydrophobicContact CE2-CG2 3.96Å; F127-V180 HydrophobicContact CZ-CG1 4.27Å; F127-V185 HydrophobicContact CE1-CB 4.26Å; F127-V185 HydrophobicContact CZ-CB 3.92Å; F127-V185 HydrophobicContact CZ-CG1 4.11Å; F127-L188 HydrophobicContact CD1-CB 4.19Å; F127-L188 HydrophobicContact CD2-CB 3.61Å; F127-L188 HydrophobicContact CD2-CD1 3.95Å; F127-L188 HydrophobicContact CD2-CG 4.36Å; F127-L188 HydrophobicContact CE1-CB 4.2Å; F127-L188 HydrophobicContact CE2-CB 3.67Å; F127-L188 HydrophobicContact CE2-CD1 3.4Å; F127-L188 HydrophobicContact CE2-CG 4.17Å; F127-L188 HydrophobicContact CG-CB 3.9Å; F127-L188 HydrophobicContact CZ-CB 3.96Å; F127-L188 HydrophobicContact CZ-CD1 4.01Å; F127-I189 HydrophobicContact CD1-CB 3.85Å; F127-I189 HydrophobicContact CD1-CG1 4.49Å; F127-I189 HydrophobicContact CE1-CB 4.28Å; F127-A192 HydrophobicContact CB-CB 3.97Å; F127-A192 VanDerWaalsContact O-CB 3.29Å; F127-A192 WeakPolarHBondContact O-CB 3.45Å
128	D	95.6	Very high	94	Very high	57 Å²	57	32.7 Å²	32.7	31%	0.305	17%	0.167	S	C	.	.	H	α-helix	trans	-65.9	-41.2	170.8	-72.4	-17.5	0	0	0	111.1	T124 I130 A131 E132 A192 R195	T124-D128 WeakPolarHBondContact CG2-OD2 3.45Å; T124-D128 WeakPolarHBondContact O-CB 3.24Å; T124-D128 PolarHBondContact O-N 2.73Å; D128-I130 PolarHBondContact O-N 3.46Å; D128-A131 PolarHBondContact O-N 3.03Å; D128-E132 WeakPolarHBondContact O-CB 3.44Å; D128-E132 PolarHBondContact O-N 3.4Å; D128-A192 WeakPolarHBondContact OD1-CB 3.49Å; D128-R195 IonicContact OD1-CZ 2.76Å; D128-R195 VanDerWaalsContact OD1-CZ 3.25Å; D128-R195 IonicContact OD1-NE 3.62Å; D128-R195 PolarHBondContact OD1-NE 2.82Å; D128-R195 IonicContact OD1-NH2 3.03Å; D128-R195 PolarHBondContact OD1-NH2 3.32Å; D128-R195 IonicContact OD2-NE 2.95Å; D128-R195 IonicContact OD2-NH2 3.98Å
129	H	94.9	Very high	94.2	Very high	34 Å²	34	34.5 Å²	34.5	16%	0.157	18%	0.177	C	C	.	.	H	α-helix	trans	-61.3	-42.6	173.3	-177.3	79.1	0	0	0	112.2	A113 I118 Q125 L126 E132 C133	A113-H129 PolarHBondContact O-NE2 3.08Å; I118-H129 HydrophobicContact CD1-CB 4.19Å; I118-H129 HydrophobicContact CG2-CB 4.33Å; Q125-H129 WeakPolarHBondContact O-CB 3.4Å; Q125-H129 PolarHBondContact O-N 3.44Å; L126-H129 WeakPolarHBondContact O-CB 3.26Å; L126-H129 PolarHBondContact O-N 2.82Å; H129-E132 PolarHBondContact O-N 3.03Å; H129-C133 PolarHBondContact O-N 2.84Å; H129-C133 PolarHBondContact O-SG 3.45Å
130	I	94.6	Very high	94.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.5	-46.7	175.2	-70.7	166.2	0	0	0	110.9	L83 L85 F90 L126 F127 D128 E132 C133 L134 I189	L83-I130 HydrophobicContact CD1-CG2 4.2Å; L85-I130 HydrophobicContact CD2-CD1 3.77Å; F90-I130 HydrophobicContact CE1-CG2 4.25Å; F90-I130 HydrophobicContact CE2-CG1 4.46Å; F90-I130 HydrophobicContact CE2-CG2 4.29Å; F90-I130 HydrophobicContact CZ-CB 4.4Å; F90-I130 HydrophobicContact CZ-CG1 4.36Å; F90-I130 HydrophobicContact CZ-CG2 3.7Å; L126-I130 HydrophobicContact CD1-CD1 4.29Å; L126-I130 HydrophobicContact CG-CD1 4.14Å; L126-I130 WeakPolarHBondContact O-CG1 3.22Å; L126-I130 PolarHBondContact O-N 3.41Å; F127-I130 HydrophobicContact CD1-CD1 4.02Å; F127-I130 HydrophobicContact CE1-CD1 4.31Å; F127-I130 PolarHBondContact O-N 2.97Å; D128-I130 PolarHBondContact O-N 3.46Å; I130-E132 VanDerWaalsContact C-N 3.31Å; I130-E132 PolarHBondContact O-N 3.29Å; I130-C133 PolarHBondContact O-N 2.81Å; I130-L134 WeakPolarHBondContact O-CB 3.24Å; I130-L134 PolarHBondContact O-N 3.24Å; I130-I189 HydrophobicContact CG2-CD1 3.67Å; I130-I189 HydrophobicContact CG2-CG1 4.31Å
131	A	95	Very high	94.7	Very high	2 Å²	2	36.2 Å²	36.2	2%	0.017	19%	0.19	C	C	.	.	H	α-helix	trans	-62.9	-37.5	178.1	0	0	0	0	0	111.9	F127 D128 L134 A135 A192 I193	F127-A131 WeakPolarHBondContact O-CB 3.26Å; F127-A131 PolarHBondContact O-N 3Å; D128-A131 PolarHBondContact O-N 3.03Å; A131-L134 PolarHBondContact O-N 3.15Å; A131-A135 WeakPolarHBondContact O-CB 3.13Å; A131-A135 PolarHBondContact O-N 2.87Å; A131-A192 HydrophobicContact CB-CB 3.92Å; A131-I193 HydrophobicContact CB-CG1 3.97Å
132	E	95.6	Very high	94.8	Very high	95 Å²	95	43 Å²	43	44%	0.444	22%	0.217	S	C	.	.	H	α-helix	trans	-65.1	-46.4	174.1	179.1	175	-172.5	0	0	112.8	D128 H129 I130 L134 A135 N136 R196	D128-E132 WeakPolarHBondContact O-CB 3.44Å; D128-E132 PolarHBondContact O-N 3.4Å; H129-E132 PolarHBondContact O-N 3.03Å; I130-E132 VanDerWaalsContact C-N 3.31Å; I130-E132 PolarHBondContact O-N 3.29Å; E132-L134 VanDerWaalsContact C-N 3.29Å; E132-L134 PolarHBondContact O-N 3.27Å; E132-A135 PolarHBondContact O-N 2.92Å; E132-N136 WeakPolarHBondContact O-CB 3.3Å; E132-N136 PolarHBondContact O-N 3.11Å; E132-N136 PolarHBondContact O-ND2 2.76Å; E132-R196 VanDerWaalsContact CA-NH1 3.31Å
133	C	95.4	Very high	94.6	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.034	21%	0.207	C	C	.	.	H	α-helix	trans	-59.7	-41.4	176.2	-68.9	0	0	0	0	111.7	F90 Y112 H129 I130 F137	F90-C133 HydrophobicContact CD1-CB 3.81Å; F90-C133 HydrophobicContact CE1-CB 3.59Å; Y112-C133 HydrophobicContact CD1-CB 3.99Å; Y112-C133 VanDerWaalsContact CD1-SG 3.57Å; Y112-C133 HydrophobicContact CD2-CB 3.77Å; Y112-C133 HydrophobicContact CE1-CB 4.15Å; Y112-C133 HydrophobicContact CE2-CB 3.93Å; Y112-C133 HydrophobicContact CG-CB 3.79Å; Y112-C133 VanDerWaalsContact CG-SG 3.54Å; Y112-C133 PolarHBondContact OH-O 3.37Å; H129-C133 PolarHBondContact O-N 2.84Å; H129-C133 PolarHBondContact O-SG 3.45Å; I130-C133 PolarHBondContact O-N 2.81Å; C133-F137 WeakPolarHBondContact O-CB 3.43Å; C133-F137 PolarHBondContact O-N 2.77Å; C133-F137 VanDerWaalsContact O-N 3.12Å
134	L	94.4	Very high	94.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.4	-47.1	176.3	179.3	55.9	0	0	0	111.6	L81 L83 V92 I130 A131 E132 N136 F137 M138 L150 I193 F199 I201	L81-L134 HydrophobicContact CD1-CD1 4.37Å; L83-L134 HydrophobicContact CD2-CD1 4.1Å; V92-L134 HydrophobicContact CG1-CD1 3.75Å; I130-L134 WeakPolarHBondContact O-CB 3.24Å; I130-L134 PolarHBondContact O-N 3.24Å; A131-L134 PolarHBondContact O-N 3.15Å; E132-L134 VanDerWaalsContact C-N 3.29Å; E132-L134 PolarHBondContact O-N 3.27Å; L134-N136 PolarHBondContact O-N 2.98Å; L134-F137 WeakPolarHBondContact O-CB 3.38Å; L134-F137 PolarHBondContact O-N 3.39Å; L134-M138 HydrophobicContact CD1-CG 4.09Å; L134-M138 HydrophobicContact CD1-SD 4.04Å; L134-M138 HydrophobicContact CG-SD 4.05Å; L134-M138 WeakPolarHBondContact O-CG 3.48Å; L134-M138 PolarHBondContact O-N 3.26Å; L134-L150 HydrophobicContact CD1-CD1 4.4Å; L134-L150 HydrophobicContact CD2-CD1 3.88Å; L134-I193 HydrophobicContact CD2-CD1 4.27Å; L134-F199 HydrophobicContact CB-CZ 4.31Å; L134-F199 HydrophobicContact CD2-CE2 3.66Å; L134-F199 HydrophobicContact CD2-CZ 3.96Å; L134-F199 HydrophobicContact CG-CE2 3.92Å; L134-F199 HydrophobicContact CG-CZ 3.99Å; L134-I201 HydrophobicContact CD2-CD1 4.02Å; L134-I201 HydrophobicContact CD2-CG2 4.38Å
135	A	94.4	Very high	94	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.1	-47.5	177.8	0	0	0	0	0	112.2	A131 E132 F137 M138 D139 K144 R196 F199	A131-A135 WeakPolarHBondContact O-CB 3.13Å; A131-A135 PolarHBondContact O-N 2.87Å; E132-A135 PolarHBondContact O-N 2.92Å; A135-F137 VanDerWaalsContact C-N 3.27Å; A135-F137 PolarHBondContact O-N 3.12Å; A135-M138 PolarHBondContact O-N 3.24Å; A135-D139 PolarHBondContact O-N 3.43Å; A135-K144 VanDerWaalsContact O-CE 3.32Å; A135-K144 WeakPolarHBondContact O-CE 3.28Å; A135-R196 VanDerWaalsContact CB-NE 3.26Å; A135-R196 VanDerWaalsContact CB-NH2 3.28Å; A135-F199 HydrophobicContact CB-CD1 3.99Å; A135-F199 HydrophobicContact CB-CE1 3.56Å; A135-F199 HydrophobicContact CB-CZ 4.41Å
136	N	95.3	Very high	93.6	Very high	66 Å²	66	46.4 Å²	46.4	35%	0.353	23%	0.226	S	C	.	.	H	α-helix	trans	-60.9	-38.4	179.6	-70	-18.3	0	0	0	111.5	E132 L134 K140	E132-N136 WeakPolarHBondContact O-CB 3.3Å; E132-N136 PolarHBondContact O-N 3.11Å; E132-N136 PolarHBondContact O-ND2 2.76Å; L134-N136 PolarHBondContact O-N 2.98Å; N136-K140 WeakPolarHBondContact O-CB 3.21Å; N136-K140 PolarHBondContact O-N 2.9Å; N136-K140 VanDerWaalsContact O-N 3.16Å
137	F	95.2	Very high	93.3	Very high	5 Å²	5	52.4 Å²	52.4	2%	0.022	25%	0.252	C	S	.	.	H	α-helix	trans	-67.3	-45.3	175.6	-176.3	-105.2	0	0	0	111.9	L81 V92 W94 E108 Q110 Y112 C133 L134 A135 D139 K140 L141	L81-F137 HydrophobicContact CD2-CE1 4.31Å; V92-F137 HydrophobicContact CB-CB 4.29Å; V92-F137 HydrophobicContact CB-CD1 4.12Å; V92-F137 HydrophobicContact CB-CD2 4.39Å; V92-F137 HydrophobicContact CB-CG 4.02Å; V92-F137 HydrophobicContact CG1-CB 3.99Å; V92-F137 HydrophobicContact CG1-CD1 3.32Å; V92-F137 HydrophobicContact CG1-CD2 4.45Å; V92-F137 HydrophobicContact CG1-CE1 3.78Å; V92-F137 HydrophobicContact CG1-CG 3.68Å; W94-F137 HydrophobicContact CB-CE1 3.89Å; W94-F137 HydrophobicContact CB-CZ 4.13Å; E108-F137 HydrophobicContact CB-CZ 4.49Å; Q110-F137 HydrophobicContact CB-CD2 3.54Å; Q110-F137 HydrophobicContact CB-CE2 3.75Å; Y112-F137 PolarHBondContact OH-N 3.45Å; C133-F137 WeakPolarHBondContact O-CB 3.43Å; C133-F137 PolarHBondContact O-N 2.77Å; C133-F137 VanDerWaalsContact O-N 3.12Å; L134-F137 WeakPolarHBondContact O-CB 3.38Å; L134-F137 PolarHBondContact O-N 3.39Å; A135-F137 VanDerWaalsContact C-N 3.27Å; A135-F137 PolarHBondContact O-N 3.12Å; F137-D139 PolarHBondContact O-N 2.81Å; F137-K140 PolarHBondContact O-N 2.72Å; F137-L141 HydrophobicContact CD1-CD1 4.04Å; F137-L141 HydrophobicContact CD2-CD1 4.44Å; F137-L141 HydrophobicContact CE1-CD1 3.47Å; F137-L141 VanDerWaalsContact CE1-CD1 3.47Å; F137-L141 HydrophobicContact CE2-CD1 3.91Å; F137-L141 HydrophobicContact CZ-CD1 3.4Å; F137-L141 PolarHBondContact O-N 2.95Å
138	M	93.9	Very high	93	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66	-36.6	178.9	-67.2	179	79.5	0	0	112.6	L81 L134 A135 L141 Q142 I143 K144 F199 I201	L81-M138 HydrophobicContact CD1-CE 4.06Å; L81-M138 HydrophobicContact CD1-CG 4.48Å; L81-M138 HydrophobicContact CD1-SD 4.12Å; L134-M138 HydrophobicContact CD1-CG 4.09Å; L134-M138 HydrophobicContact CD1-SD 4.04Å; L134-M138 HydrophobicContact CG-SD 4.05Å; L134-M138 WeakPolarHBondContact O-CG 3.48Å; L134-M138 PolarHBondContact O-N 3.26Å; A135-M138 PolarHBondContact O-N 3.24Å; M138-L141 PolarHBondContact O-N 3.44Å; M138-Q142 PolarHBondContact O-N 3.24Å; M138-I143 HydrophobicContact CB-CG1 3.94Å; M138-I143 HydrophobicContact CE-CG1 4.5Å; M138-I143 HydrophobicContact CG-CD1 4.29Å; M138-I143 HydrophobicContact CG-CG1 4.06Å; M138-I143 PolarHBondContact O-N 2.94Å; M138-K144 HydrophobicContact CB-CG 3.64Å; M138-F199 HydrophobicContact CE-CD2 4.29Å; M138-F199 HydrophobicContact SD-CD2 3.62Å; M138-F199 HydrophobicContact SD-CE2 3.96Å; M138-F199 HydrophobicContact SD-CG 4.13Å; M138-I201 HydrophobicContact CE-CG2 4.44Å; M138-I201 HydrophobicContact SD-CG2 4.36Å
139	D	94	Very high	92.9	Very high	65 Å²	65	51.1 Å²	51.1	35%	0.348	25%	0.246	S	C	.	.	H	α-helix	trans	-62.2	-47.5	173.2	-81.2	-34.6	0	0	0	111.4	A135 F137 L141 Q142 K144	A135-D139 PolarHBondContact O-N 3.43Å; F137-D139 PolarHBondContact O-N 2.81Å; D139-L141 PolarHBondContact O-N 2.85Å; D139-Q142 PolarHBondContact O-N 3.49Å; D139-Q142 VanDerWaalsContact O-N 3.09Å; D139-Q142 PolarHBondContact O-NE2 2.85Å; D139-K144 WeakPolarHBondContact OD1-CD 3.35Å; D139-K144 WeakPolarHBondContact OD1-CE 3.49Å; D139-K144 IonicContact OD1-NZ 3.71Å; D139-K144 PolarHBondContact OD1-NZ 3.32Å; D139-K144 VanDerWaalsContact OD2-CE 3.29Å; D139-K144 WeakPolarHBondContact OD2-CE 3.24Å; D139-K144 IonicContact OD2-NZ 3.03Å; D139-K144 PolarHBondContact OD2-NZ 3.48Å
140	K	94.6	Very high	92.8	Very high	148 Å²	148	49.5 Å²	49.5	64%	0.643	24%	0.239	S	C	*	.	H	α-helix	trans	-59.3	-36.4	-179.4	-176.2	-178	175	-170.1	0	112.1	N136 F137	N136-K140 WeakPolarHBondContact O-CB 3.21Å; N136-K140 PolarHBondContact O-N 2.9Å; N136-K140 VanDerWaalsContact O-N 3.16Å; F137-K140 PolarHBondContact O-N 2.72Å
141	L	93.3	Very high	92.8	Very high	46 Å²	46	49.5 Å²	49.5	24%	0.241	24%	0.239	C	C	.	.	H	α-helix	trans	-91.6	-4.6	179.6	-64.5	177.3	0	0	0	113.8	W94 E108 F137 M138 D139 I143	W94-L141 HydrophobicContact CB-CD1 4.11Å; W94-L141 HydrophobicContact CD2-CD1 4.33Å; W94-L141 HydrophobicContact CE3-CD1 3.76Å; W94-L141 HydrophobicContact CZ3-CD1 4.44Å; E108-L141 HydrophobicContact CB-CD1 4.41Å; F137-L141 HydrophobicContact CD1-CD1 4.04Å; F137-L141 HydrophobicContact CD2-CD1 4.44Å; F137-L141 HydrophobicContact CE1-CD1 3.47Å; F137-L141 VanDerWaalsContact CE1-CD1 3.47Å; F137-L141 HydrophobicContact CE2-CD1 3.91Å; F137-L141 HydrophobicContact CZ-CD1 3.4Å; F137-L141 PolarHBondContact O-N 2.95Å; M138-L141 PolarHBondContact O-N 3.44Å; D139-L141 PolarHBondContact O-N 2.85Å; L141-I143 HydrophobicContact CB-CD1 4.07Å; L141-I143 HydrophobicContact CB-CG1 4.05Å; L141-I143 HydrophobicContact CB-CG2 4.2Å; L141-I143 HydrophobicContact CD1-CD1 4.12Å
142	Q	92.9	Very high	92.8	Very high	160 Å²	160	49.4 Å²	49.4	75%	0.748	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	46.3	-177.2	-57.8	-67.9	-41.1	0	0	112.6	M138 D139	M138-Q142 PolarHBondContact O-N 3.24Å; D139-Q142 PolarHBondContact O-N 3.49Å; D139-Q142 VanDerWaalsContact O-N 3.09Å; D139-Q142 PolarHBondContact O-NE2 2.85Å
143	I	92.1	Very high	92.7	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	22%	0.217	C	C	.	.			trans	-119	10.8	-177.2	61.5	177.3	0	0	0	114	L81 W94 M138 L141 D145 K146 L148	L81-I143 HydrophobicContact CD2-CD1 4.06Å; W94-I143 HydrophobicContact CD2-CD1 4.32Å; W94-I143 HydrophobicContact CG-CD1 4.29Å; W94-I143 HydrophobicContact CH2-CG2 3.96Å; W94-I143 HydrophobicContact CZ2-CG2 3.92Å; M138-I143 HydrophobicContact CB-CG1 3.94Å; M138-I143 HydrophobicContact CE-CG1 4.5Å; M138-I143 HydrophobicContact CG-CD1 4.29Å; M138-I143 HydrophobicContact CG-CG1 4.06Å; M138-I143 PolarHBondContact O-N 2.94Å; L141-I143 HydrophobicContact CB-CD1 4.07Å; L141-I143 HydrophobicContact CB-CG1 4.05Å; L141-I143 HydrophobicContact CB-CG2 4.2Å; L141-I143 HydrophobicContact CD1-CD1 4.12Å; I143-D145 VanDerWaalsContact C-N 3.26Å; I143-D145 PolarHBondContact O-N 3.49Å; I143-K146 PolarHBondContact O-N 3.32Å; I143-K146 VanDerWaalsContact O-N 3.11Å; I143-L148 HydrophobicContact CD1-CD1 4.06Å
144	K	89.8	Confident	92.6	Very high	36 Å²	36	44.8 Å²	44.8	16%	0.157	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-29.7	178.8	-79.8	-164.7	175.8	168.5	0	114.3	A135 M138 D139 K146 D198 F199	A135-K144 VanDerWaalsContact O-CE 3.32Å; A135-K144 WeakPolarHBondContact O-CE 3.28Å; M138-K144 HydrophobicContact CB-CG 3.64Å; D139-K144 WeakPolarHBondContact OD1-CD 3.35Å; D139-K144 WeakPolarHBondContact OD1-CE 3.49Å; D139-K144 IonicContact OD1-NZ 3.71Å; D139-K144 PolarHBondContact OD1-NZ 3.32Å; D139-K144 VanDerWaalsContact OD2-CE 3.29Å; D139-K144 WeakPolarHBondContact OD2-CE 3.24Å; D139-K144 IonicContact OD2-NZ 3.03Å; D139-K144 PolarHBondContact OD2-NZ 3.48Å; K144-K146 PolarHBondContact O-N 2.97Å; K144-D198 IonicContact NZ-OD2 3.81Å; K144-D198 PolarHBondContact NZ-OD2 3.24Å; K144-F199 HydrophobicContact CB-CB 4.45Å; K144-F199 HydrophobicContact CD-CB 4.22Å; K144-F199 HydrophobicContact CG-CB 4.16Å
145	D	87.4	Confident	92.3	Very high	165 Å²	165	45 Å²	45	88%	0.882	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-10.6	178.2	-58	-41.6	0	0	0	112.9	I143	I143-D145 VanDerWaalsContact C-N 3.26Å; I143-D145 PolarHBondContact O-N 3.49Å
146	K	86.9	Confident	92	Very high	85 Å²	85	45 Å²	45	37%	0.37	22%	0.217	S	C	.	.	S	Bend	trans	-94.1	122.2	177.6	-61	-169.9	-177.2	-167	0	110.1	E79 I143 K144 L148	E79-K146 IonicContact OE1-NZ 2.75Å; E79-K146 PolarHBondContact OE1-NZ 3.14Å; E79-K146 IonicContact OE2-NZ 3.64Å; E79-K146 PolarHBondContact OE2-NZ 3.34Å; I143-K146 PolarHBondContact O-N 3.32Å; I143-K146 VanDerWaalsContact O-N 3.11Å; K144-K146 PolarHBondContact O-N 2.97Å; K146-L148 VanDerWaalsContact C-N 3.29Å; K146-L148 HydrophobicContact CB-CD1 4.42Å; K146-L148 HydrophobicContact CB-CD2 3.96Å; K146-L148 HydrophobicContact CB-CG 3.8Å; K146-L148 HydrophobicContact CD-CD2 4.07Å; K146-L148 HydrophobicContact CD-CG 4.5Å; K146-L148 PolarHBondContact O-N 3.06Å
147	K	88.3	Confident	91.6	Very high	127 Å²	127	42.5 Å²	42.5	55%	0.552	21%	0.205	S	C	*	.			trans	-78.2	80.4	167.2	-171.3	167.7	-178.4	153.2	0	110.1	D200	K147-D200 WeakPolarHBondContact CE-OD2 3.42Å; K147-D200 IonicContact NZ-OD2 3.88Å; K147-D200 PolarHBondContact NZ-OD2 2.79Å
148	L	90.1	Very high	91.3	Very high	12 Å²	12	42.7 Å²	42.7	6%	0.063	21%	0.207	C	C	.	.			trans	-81.4	139.6	-179	-63.8	177.6	0	0	0	111.1	E79 L81 I143 K146 D202	E79-L148 HydrophobicContact CB-CD2 3.95Å; L81-L148 HydrophobicContact CD1-CB 3.97Å; L81-L148 HydrophobicContact CD1-CD1 4.21Å; L81-L148 HydrophobicContact CD2-CD1 4.35Å; L81-L148 HydrophobicContact CG-CB 4.03Å; L81-L148 HydrophobicContact CG-CD1 3.95Å; I143-L148 HydrophobicContact CD1-CD1 4.06Å; K146-L148 VanDerWaalsContact C-N 3.29Å; K146-L148 HydrophobicContact CB-CD1 4.42Å; K146-L148 HydrophobicContact CB-CD2 3.96Å; K146-L148 HydrophobicContact CB-CG 3.8Å; K146-L148 HydrophobicContact CD-CD2 4.07Å; K146-L148 HydrophobicContact CD-CG 4.5Å; K146-L148 PolarHBondContact O-N 3.06Å; L148-D202 PolarHBondContact O-N 3.38Å
149	P	92.5	Very high	91.1	Very high	19 Å²	19	47 Å²	47	12%	0.123	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	137.9	169	-15.8	28.9	0	0	0	110.5	F80 L81 D202 V204 T457 Y461	F80-P149 WeakPolarHBondContact CA-O 3.46Å; F80-P149 HydrophobicContact CD1-CB 4.07Å; F80-P149 HydrophobicContact CD1-CG 4.16Å; F80-P149 HydrophobicContact CE1-CG 4.36Å; L81-P149 PolarHBondContact N-O 2.74Å; P149-D202 CarbonylContact C-O 3.57Å; P149-D202 WeakPolarHBondContact CA-O 3.19Å; P149-V204 HydrophobicContact CB-CG1 4.03Å; P149-V204 HydrophobicContact CB-CG2 4.19Å; P149-T457 HydrophobicContact CB-CG2 3.68Å; P149-Y461 HydrophobicContact CG-CD2 4.47Å
150	L	93.5	Very high	90.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	125.8	-175.5	-172.9	143.6	0	0	0	111	L81 L83 L134 F152 I201 D202 I203 V204	L81-L150 HydrophobicContact CB-CB 4.15Å; L81-L150 HydrophobicContact CB-CD1 3.81Å; L81-L150 HydrophobicContact CB-CG 4.01Å; L81-L150 HydrophobicContact CD1-CD1 4.34Å; L81-L150 VanDerWaalsContact O-CA 3.31Å; L81-L150 WeakPolarHBondContact O-CA 3.44Å; L83-L150 HydrophobicContact CD1-CD1 4.03Å; L83-L150 HydrophobicContact CD1-CD2 3.87Å; L83-L150 HydrophobicContact CD2-CD1 4.15Å; L83-L150 HydrophobicContact CG-CD1 3.84Å; L83-L150 HydrophobicContact CG-CD2 3.89Å; L83-L150 HydrophobicContact CG-CG 4.21Å; L134-L150 HydrophobicContact CD1-CD1 4.4Å; L134-L150 HydrophobicContact CD2-CD1 3.88Å; L150-F152 HydrophobicContact CD2-CB 4.2Å; L150-I201 HydrophobicContact CB-CD1 4.39Å; L150-I201 HydrophobicContact CD1-CD1 3.75Å; L150-I201 HydrophobicContact CG-CD1 4.44Å; L150-D202 PolarHBondContact N-O 2.87Å; L150-I203 HydrophobicContact CB-CG1 4.49Å; L150-I203 HydrophobicContact CD2-CG1 4.08Å; L150-I203 HydrophobicContact CD2-CG2 4.37Å; L150-V204 PolarHBondContact O-N 2.82Å
151	G	94.5	Very high	90.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	142.2	165.3	0	0	0	0	0	111	L81 A82 L83 A205 T457	L81-G151 PolarHBondContact O-N 2.65Å; A82-G151 CarbonylContact C-O 3.6Å; A82-G151 VanDerWaalsContact CA-O 3.23Å; A82-G151 WeakPolarHBondContact CA-O 3.36Å; L83-G151 PolarHBondContact N-O 3.04Å; G151-A205 CarbonylContact C-O 3.06Å; G151-A205 WeakPolarHBondContact CA-O 3.33Å; G151-T457 WeakPolarHBondContact CA-OG1 3.35Å; G151-T457 PolarHBondContact N-OG1 2.99Å
152	F	94.6	Very high	90.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	105.8	178.6	-171.6	-171.2	0	0	0	110.6	L83 L85 F127 L150 F154 I189 A205 V206 V207	L83-F152 HydrophobicContact CB-CB 4.44Å; L83-F152 HydrophobicContact CB-CD2 3.44Å; L83-F152 VanDerWaalsContact CB-CD2 3.44Å; L83-F152 HydrophobicContact CB-CE2 3.9Å; L83-F152 HydrophobicContact CB-CG 4.12Å; L83-F152 HydrophobicContact CD1-CD2 4.31Å; L83-F152 HydrophobicContact CD1-CG 4.41Å; L83-F152 HydrophobicContact CG-CD2 4.46Å; L85-F152 HydrophobicContact CB-CE2 3.76Å; L85-F152 HydrophobicContact CB-CZ 4.25Å; L85-F152 HydrophobicContact CD2-CE2 4.49Å; L85-F152 HydrophobicContact CD2-CZ 4.14Å; F127-F152 HydrophobicContact CE1-CE1 4.42Å; L150-F152 HydrophobicContact CD2-CB 4.2Å; F152-F154 HydrophobicContact CD2-CB 4.39Å; F152-F154 HydrophobicContact CE1-CD2 4.23Å; F152-F154 HydrophobicContact CE2-CB 4.31Å; F152-F154 HydrophobicContact CE2-CD2 4.25Å; F152-F154 HydrophobicContact CZ-CB 4.38Å; F152-F154 AromaticContact CZ-CD2 3.77Å; F152-F154 HydrophobicContact CZ-CD2 3.77Å; F152-F154 HydrophobicContact CZ-CG 4.45Å; F152-F154 PolarHBondContact O-N 3.27Å; F152-I189 HydrophobicContact CE1-CD1 4.48Å; F152-A205 PolarHBondContact N-O 3.25Å; F152-V206 HydrophobicContact CB-CG2 4.28Å; F152-V206 CarbonylContact O-C 3.19Å; F152-V206 VanDerWaalsContact O-CA 3.28Å; F152-V206 WeakPolarHBondContact O-CA 3.39Å; F152-V207 PolarHBondContact O-N 2.91Å
153	T	94.1	Very high	89.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	113.3	162.7	-55.9	0	0	0	0	109.5	L83 D84 L85 V207 D209 S449 A453	L83-T153 PolarHBondContact O-N 3.43Å; D84-T153 WeakPolarHBondContact OD1-CB 3.1Å; D84-T153 VanDerWaalsContact OD1-CG2 3.32Å; D84-T153 WeakPolarHBondContact OD1-CG2 3.34Å; L85-T153 PolarHBondContact N-O 3.11Å; T153-V207 CarbonylContact C-O 3.4Å; T153-V207 VanDerWaalsContact CA-O 3.26Å; T153-V207 WeakPolarHBondContact CA-O 3.36Å; T153-D209 HydrophobicContact CG2-CB 3.93Å; T153-S449 PolarHBondContact OG1-O 2.82Å; T153-A453 VanDerWaalsContact OG1-CB 3.28Å; T153-A453 WeakPolarHBondContact OG1-CB 3.36Å
154	F	93	Very high	89.7	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.009	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	97.9	177.5	-173.1	-109.9	0	0	0	108.9	L85 F152 F156 C158 L168 W171 V185 V206 V207	L85-F154 HydrophobicContact CB-CD2 4.46Å; L85-F154 HydrophobicContact CD2-CD2 3.95Å; L85-F154 HydrophobicContact CD2-CE2 3.85Å; L85-F154 HydrophobicContact CG-CD2 4.46Å; F152-F154 HydrophobicContact CD2-CB 4.39Å; F152-F154 HydrophobicContact CE1-CD2 4.23Å; F152-F154 HydrophobicContact CE2-CB 4.31Å; F152-F154 HydrophobicContact CE2-CD2 4.25Å; F152-F154 HydrophobicContact CZ-CB 4.38Å; F152-F154 AromaticContact CZ-CD2 3.77Å; F152-F154 HydrophobicContact CZ-CD2 3.77Å; F152-F154 HydrophobicContact CZ-CG 4.45Å; F152-F154 PolarHBondContact O-N 3.27Å; F154-F156 HydrophobicContact CD1-CB 4.2Å; F154-F156 AromaticContact CD1-CD2 3.9Å; F154-F156 HydrophobicContact CD1-CD2 3.9Å; F154-F156 AromaticContact CD2-CD2 3.76Å; F154-F156 HydrophobicContact CD2-CD2 3.76Å; F154-F156 HydrophobicContact CD2-CE2 4.06Å; F154-F156 HydrophobicContact CE1-CB 3.8Å; F154-F156 AromaticContact CE1-CD2 3.61Å; F154-F156 HydrophobicContact CE1-CD2 3.61Å; F154-F156 HydrophobicContact CE1-CG 4.09Å; F154-F156 AromaticContact CE2-CD2 3.44Å; F154-F156 HydrophobicContact CE2-CD2 3.44Å; F154-F156 VanDerWaalsContact CE2-CD2 3.44Å; F154-F156 AromaticContact CE2-CE2 3.7Å; F154-F156 HydrophobicContact CE2-CE2 3.7Å; F154-F156 AromaticContact CG-CD2 3.97Å; F154-F156 HydrophobicContact CG-CD2 3.97Å; F154-F156 HydrophobicContact CZ-CB 4.26Å; F154-F156 AromaticContact CZ-CD2 3.36Å; F154-F156 HydrophobicContact CZ-CD2 3.36Å; F154-F156 HydrophobicContact CZ-CE2 4.01Å; F154-F156 HydrophobicContact CZ-CG 4.07Å; F154-F156 PolarHBondContact O-N 3.3Å; F154-C158 WeakPolarHBondContact CD1-SG 3.44Å; F154-C158 VanDerWaalsContact CE1-SG 3.59Å; F154-L168 HydrophobicContact CE1-CB 4.45Å; F154-L168 HydrophobicContact CE1-CD1 3.84Å; F154-L168 HydrophobicContact CZ-CD1 4.2Å; F154-W171 HydrophobicContact CE2-CH2 4.09Å; F154-W171 HydrophobicContact CE2-CZ3 4.09Å; F154-W171 AromaticContact CZ-CH2 3.75Å; F154-W171 HydrophobicContact CZ-CH2 3.75Å; F154-W171 AromaticContact CZ-CZ3 3.69Å; F154-W171 HydrophobicContact CZ-CZ3 3.69Å; F154-V185 HydrophobicContact CD1-CG1 4.34Å; F154-V185 HydrophobicContact CD1-CG2 4.35Å; F154-V185 HydrophobicContact CE1-CG1 3.75Å; F154-V185 HydrophobicContact CZ-CG1 3.88Å; F154-V206 HydrophobicContact CB-CG1 3.88Å; F154-V207 PolarHBondContact N-O 2.86Å
155	S	88.9	Confident	89.7	Confident	4 Å²	4	38.8 Å²	38.8	3%	0.028	19%	0.193	C	C	.	.			trans	-81.8	53.2	-168.1	-49.7	0	0	0	0	113.7	L85 K173 D209	L85-S155 PolarHBondContact O-N 3.49Å; S155-K173 VanDerWaalsContact CB-NZ 3.29Å; S155-K173 PolarHBondContact O-NZ 3.07Å; S155-D209 VanDerWaalsContact CB-CG 3.48Å; S155-D209 WeakPolarHBondContact CB-OD2 3.18Å; S155-D209 VanDerWaalsContact OG-CB 3.23Å; S155-D209 WeakPolarHBondContact OG-CB 3.41Å; S155-D209 PolarHBondContact OG-OD2 2.94Å
156	F	87.8	Confident	90	Very high	2 Å²	2	31 Å²	31	1%	0.009	15%	0.151	C	C	.	.	S	Bend	trans	-133.7	155.6	177.1	-56.8	-84.1	0	0	0	110.1	L85 F154 C158 L168 W171 K173 F175	L85-F156 HydrophobicContact CG-CE2 4.41Å; F154-F156 HydrophobicContact CD1-CB 4.2Å; F154-F156 AromaticContact CD1-CD2 3.9Å; F154-F156 HydrophobicContact CD1-CD2 3.9Å; F154-F156 AromaticContact CD2-CD2 3.76Å; F154-F156 HydrophobicContact CD2-CD2 3.76Å; F154-F156 HydrophobicContact CD2-CE2 4.06Å; F154-F156 HydrophobicContact CE1-CB 3.8Å; F154-F156 AromaticContact CE1-CD2 3.61Å; F154-F156 HydrophobicContact CE1-CD2 3.61Å; F154-F156 HydrophobicContact CE1-CG 4.09Å; F154-F156 AromaticContact CE2-CD2 3.44Å; F154-F156 HydrophobicContact CE2-CD2 3.44Å; F154-F156 VanDerWaalsContact CE2-CD2 3.44Å; F154-F156 AromaticContact CE2-CE2 3.7Å; F154-F156 HydrophobicContact CE2-CE2 3.7Å; F154-F156 AromaticContact CG-CD2 3.97Å; F154-F156 HydrophobicContact CG-CD2 3.97Å; F154-F156 HydrophobicContact CZ-CB 4.26Å; F154-F156 AromaticContact CZ-CD2 3.36Å; F154-F156 HydrophobicContact CZ-CD2 3.36Å; F154-F156 HydrophobicContact CZ-CE2 4.01Å; F154-F156 HydrophobicContact CZ-CG 4.07Å; F154-F156 PolarHBondContact O-N 3.3Å; F156-C158 PolarHBondContact O-N 3.45Å; F156-C158 VanDerWaalsContact O-N 3.12Å; F156-C158 PolarHBondContact O-SG 3.41Å; F156-L168 HydrophobicContact CB-CD1 3.58Å; F156-L168 HydrophobicContact CG-CD1 4.3Å; F156-W171 AromaticContact CD1-CE3 3.62Å; F156-W171 HydrophobicContact CD1-CE3 3.62Å; F156-W171 AromaticContact CD1-CZ3 3.92Å; F156-W171 HydrophobicContact CD1-CZ3 3.92Å; F156-W171 HydrophobicContact CD2-CE3 4.31Å; F156-W171 AromaticContact CD2-CZ3 3.77Å; F156-W171 HydrophobicContact CD2-CZ3 3.77Å; F156-W171 AromaticContact CE1-CE3 3.6Å; F156-W171 HydrophobicContact CE1-CE3 3.6Å; F156-W171 AromaticContact CE1-CZ3 3.78Å; F156-W171 HydrophobicContact CE1-CZ3 3.78Å; F156-W171 HydrophobicContact CE2-CE3 4.3Å; F156-W171 AromaticContact CE2-CZ3 3.64Å; F156-W171 HydrophobicContact CE2-CZ3 3.64Å; F156-W171 AromaticContact CG-CE3 3.97Å; F156-W171 HydrophobicContact CG-CE3 3.97Å; F156-W171 AromaticContact CG-CZ3 3.9Å; F156-W171 HydrophobicContact CG-CZ3 3.9Å; F156-W171 AromaticContact CZ-CE3 3.95Å; F156-W171 HydrophobicContact CZ-CE3 3.95Å; F156-W171 AromaticContact CZ-CZ3 3.63Å; F156-W171 HydrophobicContact CZ-CZ3 3.63Å; F156-K173 HydrophobicContact CE1-CD 4.49Å; F156-F175 HydrophobicContact CE1-CB 4.07Å; F156-F175 AromaticContact CE1-CD2 3.81Å; F156-F175 HydrophobicContact CE1-CD2 3.81Å; F156-F175 HydrophobicContact CE1-CG 4.06Å; F156-F175 HydrophobicContact CZ-CB 4.23Å; F156-F175 HydrophobicContact CZ-CD1 4.32Å; F156-F175 AromaticContact CZ-CD2 3.45Å; F156-F175 HydrophobicContact CZ-CD2 3.45Å; F156-F175 VanDerWaalsContact CZ-CD2 3.45Å; F156-F175 AromaticContact CZ-CE2 3.78Å; F156-F175 HydrophobicContact CZ-CE2 3.78Å; F156-F175 AromaticContact CZ-CG 3.75Å; F156-F175 HydrophobicContact CZ-CG 3.75Å; F156-F175 HydrophobicContact CZ-CZ 4.35Å
157	P	85.8	Confident	90.4	Very high	13 Å²	13	30.1 Å²	30.1	8%	0.084	15%	0.148	C	C	.	.			trans	-60.7	117.3	175.6	-19.9	31.4	0	0	0	110	V169 T172 E260	P157-V169 HydrophobicContact CB-CB 4.29Å; P157-V169 WeakPolarHBondContact O-CB 3.47Å; P157-V169 PolarHBondContact O-N 3.12Å; P157-T172 HydrophobicContact CG-CG2 3.95Å; P157-E260 HydrophobicContact CB-CG 4.36Å
158	C	89.8	Confident	90.6	Very high	9 Å²	9	24.1 Å²	24.1	6%	0.061	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	139.4	-179.1	-63.3	0	0	0	0	111.1	F154 F156 S166 F167	F154-C158 WeakPolarHBondContact CD1-SG 3.44Å; F154-C158 VanDerWaalsContact CE1-SG 3.59Å; F156-C158 PolarHBondContact O-N 3.45Å; F156-C158 VanDerWaalsContact O-N 3.12Å; F156-C158 PolarHBondContact O-SG 3.41Å; C158-S166 WeakPolarHBondContact CB-OG 3.42Å; C158-S166 PolarHBondContact SG-OG 3.41Å; C158-S166 VanDerWaalsContact SG-OG 3.33Å; C158-F167 CarbonylContact C-O 3.02Å; C158-F167 VanDerWaalsContact CA-O 3.24Å; C158-F167 WeakPolarHBondContact CA-O 3.49Å
159	H	89.8	Confident	90.5	Very high	89 Å²	89	27.5 Å²	27.5	41%	0.412	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	130.8	167	179.4	67.7	0	0	0	108.7	F167 V169	H159-F167 HydrophobicContact CB-CB 4.44Å; H159-F167 PolarHBondContact N-O 2.78Å; H159-F167 WeakPolarHBondContact O-CD2 3.19Å; H159-F167 PolarHBondContact O-N 3.33Å; H159-V169 HydrophobicContact CB-CG2 4.2Å
160	Q	89.7	Confident	90.2	Very high	16 Å²	16	28.9 Å²	28.9	8%	0.075	15%	0.153	C	C	.	.			trans	-123.5	146.2	178.6	-56.3	-169.9	-99.5	0	0	109.3	F67 E165 V206	F67-Q160 HydrophobicContact CD2-CB 3.94Å; F67-Q160 HydrophobicContact CE2-CB 4.08Å; F67-Q160 VanDerWaalsContact CE2-O 3.22Å; F67-Q160 WeakPolarHBondContact CE2-O 3.36Å; Q160-E165 WeakPolarHBondContact CG-O 3.48Å; Q160-E165 PolarHBondContact NE2-O 2.77Å; Q160-E165 VanDerWaalsContact NE2-O 3.1Å; Q160-V206 PolarHBondContact NE2-O 2.98Å
161	T	85.4	Confident	89.9	Confident	69 Å²	69	30.1 Å²	30.1	42%	0.423	16%	0.157	S	C	.	.	S	Bend	trans	-114.7	-17.3	173.9	44.7	0	0	0	0	111.5	F67 E165	F67-T161 WeakPolarHBondContact CE1-O 3.26Å; F67-T161 VanDerWaalsContact CE2-C 3.49Å; F67-T161 WeakPolarHBondContact CZ-O 3.27Å; T161-E165 PolarHBondContact OG1-OE2 3.48Å
162	K	87	Confident	89.1	Confident	84 Å²	84	31 Å²	31	37%	0.365	16%	0.163	S	C	.	.	S	Bend	trans	-163.9	172.7	174.6	55.3	179.5	177.2	166.3	0	108.7	D164 E165	K162-D164 VanDerWaalsContact C-N 3.34Å; K162-D164 WeakPolarHBondContact CD-OD1 3.12Å; K162-D164 WeakPolarHBondContact CE-OD1 3.32Å; K162-D164 VanDerWaalsContact CG-OD1 3.31Å; K162-D164 WeakPolarHBondContact CG-OD1 3.35Å; K162-D164 IonicContact NZ-OD1 3.35Å; K162-D164 PolarHBondContact NZ-OD1 3.33Å; K162-D164 IonicContact NZ-OD2 3.79Å; K162-D164 PolarHBondContact O-N 3.1Å; K162-E165 WeakPolarHBondContact CE-OE1 3.23Å; K162-E165 WeakPolarHBondContact CE-OE2 3.38Å; K162-E165 HydrophobicContact CG-CB 4.04Å; K162-E165 HydrophobicContact CG-CG 4.29Å; K162-E165 IonicContact NZ-OE1 3.91Å; K162-E165 PolarHBondContact NZ-OE1 2.97Å; K162-E165 PolarHBondContact O-N 2.86Å
163	L	87.3	Confident	88.2	Confident	30 Å²	30	32.6 Å²	32.6	16%	0.157	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-32.1	-171	-164.1	66.5	0	0	0	113.7	F67 V68 A205 V206 V456 A460	F67-L163 HydrophobicContact CB-CB 4.31Å; F67-L163 HydrophobicContact CB-CD1 4.34Å; V68-L163 HydrophobicContact CG2-CD1 3.78Å; L163-A205 HydrophobicContact CD1-CB 4.26Å; L163-A205 HydrophobicContact CD2-CB 3.86Å; L163-A205 HydrophobicContact CG-CB 3.71Å; L163-A205 CarbonylContact O-C 3.52Å; L163-A205 WeakPolarHBondContact O-CA 3.46Å; L163-V206 PolarHBondContact O-N 3.46Å; L163-V456 HydrophobicContact CD1-CG1 4.12Å; L163-V456 HydrophobicContact CD2-CG1 4.24Å; L163-A460 HydrophobicContact CD2-CB 3.52Å
164	D	87.4	Confident	87.3	Confident	40 Å²	40	33.9 Å²	33.9	21%	0.214	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	17.9	-178.4	77.8	-41.9	0	0	0	114	K162 V186 R190	K162-D164 VanDerWaalsContact C-N 3.34Å; K162-D164 WeakPolarHBondContact CD-OD1 3.12Å; K162-D164 WeakPolarHBondContact CE-OD1 3.32Å; K162-D164 VanDerWaalsContact CG-OD1 3.31Å; K162-D164 WeakPolarHBondContact CG-OD1 3.35Å; K162-D164 IonicContact NZ-OD1 3.35Å; K162-D164 PolarHBondContact NZ-OD1 3.33Å; K162-D164 IonicContact NZ-OD2 3.79Å; K162-D164 PolarHBondContact O-N 3.1Å; D164-V186 WeakPolarHBondContact O-CG1 3.5Å; D164-V186 WeakPolarHBondContact O-CG2 3.38Å; D164-R190 IonicContact OD2-NH2 2.98Å
165	E	91.1	Very high	87	Confident	49 Å²	49	34.3 Å²	34.3	23%	0.229	19%	0.185	C	C	.	.			trans	-130.5	140.3	172.7	-85.8	175.3	-163	0	0	110.3	Q160 T161 K162 F167	Q160-E165 WeakPolarHBondContact CG-O 3.48Å; Q160-E165 PolarHBondContact NE2-O 2.77Å; Q160-E165 VanDerWaalsContact NE2-O 3.1Å; T161-E165 PolarHBondContact OG1-OE2 3.48Å; K162-E165 WeakPolarHBondContact CE-OE1 3.23Å; K162-E165 WeakPolarHBondContact CE-OE2 3.38Å; K162-E165 HydrophobicContact CG-CB 4.04Å; K162-E165 HydrophobicContact CG-CG 4.29Å; K162-E165 IonicContact NZ-OE1 3.91Å; K162-E165 PolarHBondContact NZ-OE1 2.97Å; K162-E165 PolarHBondContact O-N 2.86Å; E165-F167 HydrophobicContact CB-CE2 4.26Å
166	S	93	Very high	86.8	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.007	22%	0.216	C	C	.	.			trans	-155	106.4	178.7	-179.9	0	0	0	0	111.6	C158 D184 V185	C158-S166 WeakPolarHBondContact CB-OG 3.42Å; C158-S166 PolarHBondContact SG-OG 3.41Å; C158-S166 VanDerWaalsContact SG-OG 3.33Å; S166-D184 PolarHBondContact N-OD1 3.03Å; S166-D184 CarbonylContact O-C 3.53Å; S166-D184 WeakPolarHBondContact O-CA 3.5Å; S166-V185 WeakPolarHBondContact O-CG2 3.36Å; S166-V185 PolarHBondContact O-N 3.35Å
167	F	94.7	Very high	87	Confident	67 Å²	67	41.5 Å²	41.5	29%	0.294	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	114.2	-179.3	-61.2	-94.6	0	0	0	109.6	C158 H159 E165 V169 R183 D184	C158-F167 CarbonylContact C-O 3.02Å; C158-F167 VanDerWaalsContact CA-O 3.24Å; C158-F167 WeakPolarHBondContact CA-O 3.49Å; H159-F167 HydrophobicContact CB-CB 4.44Å; H159-F167 PolarHBondContact N-O 2.78Å; H159-F167 WeakPolarHBondContact O-CD2 3.19Å; H159-F167 PolarHBondContact O-N 3.33Å; E165-F167 HydrophobicContact CB-CE2 4.26Å; F167-V169 PolarHBondContact O-N 3.41Å; F167-R183 WeakPolarHBondContact CA-O 3.49Å; F167-D184 HydrophobicContact CD1-CB 3.97Å; F167-D184 HydrophobicContact CE1-CB 3.73Å; F167-D184 HydrophobicContact CG-CB 4.48Å; F167-D184 HydrophobicContact CZ-CB 4.05Å
168	L	93.6	Very high	87.3	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	121.1	178.4	175.7	67.9	0	0	0	109.8	F154 F156 S170 W171 V180 E181 G182 R183 V185	F154-L168 HydrophobicContact CE1-CB 4.45Å; F154-L168 HydrophobicContact CE1-CD1 3.84Å; F154-L168 HydrophobicContact CZ-CD1 4.2Å; F156-L168 HydrophobicContact CB-CD1 3.58Å; F156-L168 HydrophobicContact CG-CD1 4.3Å; L168-S170 WeakPolarHBondContact CD1-O 3.47Å; L168-W171 HydrophobicContact CD1-CE3 4.35Å; L168-W171 HydrophobicContact CD2-CD2 3.55Å; L168-W171 HydrophobicContact CD2-CE3 3.94Å; L168-W171 HydrophobicContact CD2-CG 4.06Å; L168-W171 HydrophobicContact CD2-CH2 4.01Å; L168-W171 HydrophobicContact CD2-CZ2 3.63Å; L168-W171 HydrophobicContact CD2-CZ3 4.14Å; L168-V180 HydrophobicContact CB-CG1 4.33Å; L168-V180 HydrophobicContact CD2-CB 4Å; L168-V180 HydrophobicContact CD2-CG1 3.6Å; L168-E181 HydrophobicContact CD2-CB 4.49Å; L168-E181 HydrophobicContact CD2-CG 3.79Å; L168-E181 HydrophobicContact CG-CG 4.26Å; L168-G182 PolarHBondContact O-N 3.43Å; L168-R183 PolarHBondContact N-O 3.27Å; L168-V185 HydrophobicContact CB-CG1 4.3Å
169	V	88.3	Confident	87.4	Confident	83 Å²	83	47.1 Å²	47.1	50%	0.503	27%	0.265	S	S	.	.			trans	-76.9	-52.5	177.4	176	0	0	0	0	110	P157 H159 F167	P157-V169 HydrophobicContact CB-CB 4.29Å; P157-V169 WeakPolarHBondContact O-CB 3.47Å; P157-V169 PolarHBondContact O-N 3.12Å; H159-V169 HydrophobicContact CB-CG2 4.2Å; F167-V169 PolarHBondContact O-N 3.41Å
170	S	85.6	Confident	87.6	Confident	47 Å²	47	42.9 Å²	42.9	33%	0.329	25%	0.245	S	C	.	.			trans	-159.2	150.4	177.5	55.7	0	0	0	0	110.7	L168 E181	L168-S170 WeakPolarHBondContact CD1-O 3.47Å; S170-E181 WeakPolarHBondContact CA-OE1 3.46Å
171	W	86.4	Confident	87.8	Confident	26 Å²	26	47.1 Å²	47.1	10%	0.098	27%	0.265	C	S	.	.			trans	-70	145.4	169.2	-72	117	0	0	0	111.6	L126 F154 F156 L168 F175 S177 V180 E181	L126-W171 HydrophobicContact CD2-CH2 3.95Å; L126-W171 HydrophobicContact CD2-CZ2 4.23Å; F154-W171 HydrophobicContact CE2-CH2 4.09Å; F154-W171 HydrophobicContact CE2-CZ3 4.09Å; F154-W171 AromaticContact CZ-CH2 3.75Å; F154-W171 HydrophobicContact CZ-CH2 3.75Å; F154-W171 AromaticContact CZ-CZ3 3.69Å; F154-W171 HydrophobicContact CZ-CZ3 3.69Å; F156-W171 AromaticContact CD1-CE3 3.62Å; F156-W171 HydrophobicContact CD1-CE3 3.62Å; F156-W171 AromaticContact CD1-CZ3 3.92Å; F156-W171 HydrophobicContact CD1-CZ3 3.92Å; F156-W171 HydrophobicContact CD2-CE3 4.31Å; F156-W171 AromaticContact CD2-CZ3 3.77Å; F156-W171 HydrophobicContact CD2-CZ3 3.77Å; F156-W171 AromaticContact CE1-CE3 3.6Å; F156-W171 HydrophobicContact CE1-CE3 3.6Å; F156-W171 AromaticContact CE1-CZ3 3.78Å; F156-W171 HydrophobicContact CE1-CZ3 3.78Å; F156-W171 HydrophobicContact CE2-CE3 4.3Å; F156-W171 AromaticContact CE2-CZ3 3.64Å; F156-W171 HydrophobicContact CE2-CZ3 3.64Å; F156-W171 AromaticContact CG-CE3 3.97Å; F156-W171 HydrophobicContact CG-CE3 3.97Å; F156-W171 AromaticContact CG-CZ3 3.9Å; F156-W171 HydrophobicContact CG-CZ3 3.9Å; F156-W171 AromaticContact CZ-CE3 3.95Å; F156-W171 HydrophobicContact CZ-CE3 3.95Å; F156-W171 AromaticContact CZ-CZ3 3.63Å; F156-W171 HydrophobicContact CZ-CZ3 3.63Å; L168-W171 HydrophobicContact CD1-CE3 4.35Å; L168-W171 HydrophobicContact CD2-CD2 3.55Å; L168-W171 HydrophobicContact CD2-CE3 3.94Å; L168-W171 HydrophobicContact CD2-CG 4.06Å; L168-W171 HydrophobicContact CD2-CH2 4.01Å; L168-W171 HydrophobicContact CD2-CZ2 3.63Å; L168-W171 HydrophobicContact CD2-CZ3 4.14Å; W171-F175 WeakPolarHBondContact CB-O 3.44Å; W171-F175 HydrophobicContact CD2-CB 3.9Å; W171-F175 HydrophobicContact CE3-CB 3.5Å; W171-F175 VanDerWaalsContact CE3-CB 3.5Å; W171-F175 HydrophobicContact CE3-CG 4.23Å; W171-F175 HydrophobicContact CG-CB 4.42Å; W171-F175 HydrophobicContact CH2-CD1 4.47Å; W171-F175 HydrophobicContact CZ3-CB 3.93Å; W171-F175 HydrophobicContact CZ3-CD1 4.2Å; W171-F175 HydrophobicContact CZ3-CG 4.2Å; W171-S177 PolarHBondContact NE1-O 3.15Å; W171-V180 HydrophobicContact CH2-CG1 4.19Å; W171-V180 HydrophobicContact CZ2-CB 3.65Å; W171-V180 HydrophobicContact CZ2-CG1 3.63Å; W171-V180 HydrophobicContact CZ2-CG2 3.9Å; W171-E181 HydrophobicContact CG-CG 4.42Å; W171-E181 PolarHBondContact N-OE1 3.28Å
172	T	77.4	Confident	88.2	Confident	18 Å²	18	46.5 Å²	46.5	11%	0.11	27%	0.273	C	S	.	.			trans	-131.9	175.5	172.5	64.1	0	0	0	0	110	P157 G174 F175	P157-T172 HydrophobicContact CG-CG2 3.95Å; T172-G174 PolarHBondContact O-N 3.42Å; T172-F175 PolarHBondContact O-N 3.43Å
173	K	77.4	Confident	88.6	Confident	34 Å²	34	50.2 Å²	50.2	15%	0.148	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	-122.4	178.7	-50.3	157.9	-176.7	169.7	0	110.8	G86 S155 F156	G86-K173 WeakPolarHBondContact O-CD 3.39Å; G86-K173 PolarHBondContact O-NZ 2.86Å; G86-K173 VanDerWaalsContact O-NZ 3.12Å; S155-K173 VanDerWaalsContact CB-NZ 3.29Å; S155-K173 PolarHBondContact O-NZ 3.07Å; F156-K173 HydrophobicContact CE1-CD 4.49Å
174	G	74.9	Confident	89	Confident	28 Å²	28	49.4 Å²	49.4	29%	0.289	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	1.7	-176.9	0	0	0	0	0	115.8	T172	T172-G174 PolarHBondContact O-N 3.42Å
175	F	85.1	Confident	89.3	Confident	10 Å²	10	47.5 Å²	47.5	4%	0.044	27%	0.27	C	S	.	.			trans	-88.1	146	-177.6	-76.3	-100.9	0	0	0	111.7	L85 G87 I114 M119 L126 F156 W171 T172	L85-F175 HydrophobicContact CD1-CE1 4.18Å; L85-F175 HydrophobicContact CD1-CZ 3.86Å; G87-F175 WeakPolarHBondContact O-CE2 3.19Å; G87-F175 WeakPolarHBondContact O-CZ 3.25Å; I114-F175 HydrophobicContact CD1-CE1 4.28Å; I114-F175 HydrophobicContact CD1-CZ 4.07Å; M119-F175 HydrophobicContact CB-CD1 4.3Å; M119-F175 HydrophobicContact CB-CE1 4.42Å; M119-F175 HydrophobicContact CE-CD1 4.42Å; M119-F175 HydrophobicContact CE-CD2 3.69Å; M119-F175 HydrophobicContact CE-CE1 4.28Å; M119-F175 HydrophobicContact CE-CE2 3.55Å; M119-F175 HydrophobicContact CE-CG 4.14Å; M119-F175 HydrophobicContact CE-CZ 3.86Å; M119-F175 HydrophobicContact CG-CD1 4.34Å; M119-F175 HydrophobicContact CG-CE1 3.98Å; M119-F175 HydrophobicContact CG-CZ 4.23Å; L126-F175 HydrophobicContact CD1-CE1 4.34Å; F156-F175 HydrophobicContact CE1-CB 4.07Å; F156-F175 AromaticContact CE1-CD2 3.81Å; F156-F175 HydrophobicContact CE1-CD2 3.81Å; F156-F175 HydrophobicContact CE1-CG 4.06Å; F156-F175 HydrophobicContact CZ-CB 4.23Å; F156-F175 HydrophobicContact CZ-CD1 4.32Å; F156-F175 AromaticContact CZ-CD2 3.45Å; F156-F175 HydrophobicContact CZ-CD2 3.45Å; F156-F175 VanDerWaalsContact CZ-CD2 3.45Å; F156-F175 AromaticContact CZ-CE2 3.78Å; F156-F175 HydrophobicContact CZ-CE2 3.78Å; F156-F175 AromaticContact CZ-CG 3.75Å; F156-F175 HydrophobicContact CZ-CG 3.75Å; F156-F175 HydrophobicContact CZ-CZ 4.35Å; W171-F175 WeakPolarHBondContact CB-O 3.44Å; W171-F175 HydrophobicContact CD2-CB 3.9Å; W171-F175 HydrophobicContact CE3-CB 3.5Å; W171-F175 VanDerWaalsContact CE3-CB 3.5Å; W171-F175 HydrophobicContact CE3-CG 4.23Å; W171-F175 HydrophobicContact CG-CB 4.42Å; W171-F175 HydrophobicContact CH2-CD1 4.47Å; W171-F175 HydrophobicContact CZ3-CB 3.93Å; W171-F175 HydrophobicContact CZ3-CD1 4.2Å; W171-F175 HydrophobicContact CZ3-CG 4.2Å; T172-F175 PolarHBondContact O-N 3.43Å
176	K	86.4	Confident	89.4	Confident	157 Å²	157	45.1 Å²	45.1	68%	0.683	26%	0.259	S	S	*	.			trans	-156.1	38.3	173.9	-156.6	170	-178.3	171	0	112.6	M119 S178	M119-K176 PolarHBondContact O-N 3.03Å; K176-S178 PolarHBondContact O-N 2.96Å
177	S	90.1	Very high	89.4	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.007	28%	0.275	C	S	.	.			trans	-68.5	124.8	-176.6	-55.2	0	0	0	0	111.7	I118 M119 G121 W171	I118-S177 PolarHBondContact O-OG 3.29Å; M119-S177 PolarHBondContact O-N 2.83Å; M119-S177 PolarHBondContact O-OG 3.49Å; M119-S177 VanDerWaalsContact O-OG 3.09Å; G121-S177 CarbonylContact O-C 3.59Å; G121-S177 WeakPolarHBondContact O-CA 3.37Å; W171-S177 PolarHBondContact NE1-O 3.15Å
178	S	92.6	Very high	89.4	Confident	78 Å²	78	46.1 Å²	46.1	55%	0.545	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-71.5	142.6	-174.7	67.5	0	0	0	0	112.5	G121 G123 K176	G121-S178 PolarHBondContact O-N 2.97Å; G123-S178 PolarHBondContact N-O 3.47Å; K176-S178 PolarHBondContact O-N 2.96Å
179	G	92.9	Very high	89.4	Confident	61 Å²	61	46 Å²	46	63%	0.629	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	83	15.6	174.5	0	0	0	0	0	115.2	R183	G179-R183 WeakPolarHBondContact O-CG 3.5Å
180	V	94.5	Very high	89.6	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.26	C	S	.	.			trans	-106.2	-38.8	176.2	-172.2	0	0	0	0	112.3	F127 L168 W171 G182 R183 V185 L188	F127-V180 HydrophobicContact CE2-CG1 3.9Å; F127-V180 HydrophobicContact CE2-CG2 3.96Å; F127-V180 HydrophobicContact CZ-CG1 4.27Å; L168-V180 HydrophobicContact CB-CG1 4.33Å; L168-V180 HydrophobicContact CD2-CB 4Å; L168-V180 HydrophobicContact CD2-CG1 3.6Å; W171-V180 HydrophobicContact CH2-CG1 4.19Å; W171-V180 HydrophobicContact CZ2-CB 3.65Å; W171-V180 HydrophobicContact CZ2-CG1 3.63Å; W171-V180 HydrophobicContact CZ2-CG2 3.9Å; V180-G182 PolarHBondContact O-N 3.3Å; V180-R183 VanDerWaalsContact O-CB 3.28Å; V180-R183 WeakPolarHBondContact O-CB 3.41Å; V180-R183 PolarHBondContact O-N 3.44Å; V180-V185 HydrophobicContact CG1-CG1 4.2Å; V180-L188 HydrophobicContact CB-CD1 4.32Å; V180-L188 HydrophobicContact CG1-CD1 3.84Å; V180-L188 HydrophobicContact CG2-CD1 4.25Å
181	E	93.8	Very high	90.1	Very high	105 Å²	105	48.9 Å²	48.9	49%	0.491	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	134.8	177.5	-64.5	179.6	157	0	0	110.9	L168 S170 W171 R183	L168-E181 HydrophobicContact CD2-CB 4.49Å; L168-E181 HydrophobicContact CD2-CG 3.79Å; L168-E181 HydrophobicContact CG-CG 4.26Å; S170-E181 WeakPolarHBondContact CA-OE1 3.46Å; W171-E181 HydrophobicContact CG-CG 4.42Å; W171-E181 PolarHBondContact N-OE1 3.28Å; E181-R183 PolarHBondContact O-N 2.9Å
182	G	92.9	Very high	90.5	Very high	57 Å²	57	47.7 Å²	47.7	59%	0.588	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	4.2	-173.1	0	0	0	0	0	115.1	L168 V180	L168-G182 PolarHBondContact O-N 3.43Å; V180-G182 PolarHBondContact O-N 3.3Å
183	R	95.1	Very high	91.2	Very high	162 Å²	162	47.3 Å²	47.3	61%	0.611	26%	0.259	S	S	*	.	S	Bend	trans	-108.3	149.1	176.5	-56.7	-61	-160.2	-172.9	1.5	111	F167 L168 G179 V180 E181 V185 L188	F167-R183 WeakPolarHBondContact CA-O 3.49Å; L168-R183 PolarHBondContact N-O 3.27Å; G179-R183 WeakPolarHBondContact O-CG 3.5Å; V180-R183 VanDerWaalsContact O-CB 3.28Å; V180-R183 WeakPolarHBondContact O-CB 3.41Å; V180-R183 PolarHBondContact O-N 3.44Å; E181-R183 PolarHBondContact O-N 2.9Å; R183-V185 PolarHBondContact O-N 3.43Å; R183-L188 HydrophobicContact CB-CD1 4.03Å; R183-L188 HydrophobicContact CB-CG 4.48Å
184	D	95.1	Very high	92	Very high	12 Å²	12	52.7 Å²	52.7	6%	0.064	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-71.4	117.1	171	169.2	35.9	0	0	0	110.9	S166 F167 V186 T187 L188	S166-D184 PolarHBondContact N-OD1 3.03Å; S166-D184 CarbonylContact O-C 3.53Å; S166-D184 WeakPolarHBondContact O-CA 3.5Å; F167-D184 HydrophobicContact CD1-CB 3.97Å; F167-D184 HydrophobicContact CE1-CB 3.73Å; F167-D184 HydrophobicContact CG-CB 4.48Å; F167-D184 HydrophobicContact CZ-CB 4.05Å; D184-V186 VanDerWaalsContact C-N 3.25Å; D184-V186 PolarHBondContact O-N 3.5Å; D184-V186 WeakPolarHBondContact OD1-CB 3.28Å; D184-V186 PolarHBondContact OD1-N 2.89Å; D184-T187 PolarHBondContact O-N 2.88Å; D184-T187 VanDerWaalsContact OD2-CB 3.26Å; D184-T187 WeakPolarHBondContact OD2-CB 3.34Å; D184-T187 PolarHBondContact OD2-N 3.01Å; D184-T187 PolarHBondContact OD2-OG1 2.97Å; D184-L188 WeakPolarHBondContact O-CG 3.44Å; D184-L188 PolarHBondContact O-N 2.94Å; D184-L188 VanDerWaalsContact O-N 3.17Å
185	V	94	Very high	92.9	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-67.6	-26.7	-178.6	-57	0	0	0	0	112.2	F127 F154 S166 L168 V180 R183 L188 I189 V206	F127-V185 HydrophobicContact CE1-CB 4.26Å; F127-V185 HydrophobicContact CZ-CB 3.92Å; F127-V185 HydrophobicContact CZ-CG1 4.11Å; F154-V185 HydrophobicContact CD1-CG1 4.34Å; F154-V185 HydrophobicContact CD1-CG2 4.35Å; F154-V185 HydrophobicContact CE1-CG1 3.75Å; F154-V185 HydrophobicContact CZ-CG1 3.88Å; S166-V185 WeakPolarHBondContact O-CG2 3.36Å; S166-V185 PolarHBondContact O-N 3.35Å; L168-V185 HydrophobicContact CB-CG1 4.3Å; V180-V185 HydrophobicContact CG1-CG1 4.2Å; R183-V185 PolarHBondContact O-N 3.43Å; V185-L188 PolarHBondContact O-N 2.97Å; V185-I189 WeakPolarHBondContact O-CG2 3.5Å; V185-I189 PolarHBondContact O-N 3.15Å; V185-V206 HydrophobicContact CG2-CG1 4.36Å
186	V	93.1	Very high	93.3	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-67.1	-45.2	175.6	-179.3	0	0	0	0	110.2	D164 D184 L188 I189 R190 I203 V206	D164-V186 WeakPolarHBondContact O-CG1 3.5Å; D164-V186 WeakPolarHBondContact O-CG2 3.38Å; D184-V186 VanDerWaalsContact C-N 3.25Å; D184-V186 PolarHBondContact O-N 3.5Å; D184-V186 WeakPolarHBondContact OD1-CB 3.28Å; D184-V186 PolarHBondContact OD1-N 2.89Å; V186-L188 VanDerWaalsContact C-N 3.29Å; V186-L188 PolarHBondContact O-N 3.24Å; V186-I189 WeakPolarHBondContact O-CG2 3.48Å; V186-I189 PolarHBondContact O-N 3.03Å; V186-R190 HydrophobicContact CG1-CG 4.41Å; V186-R190 VanDerWaalsContact CG1-CZ 3.42Å; V186-R190 WeakPolarHBondContact O-CB 3.18Å; V186-R190 VanDerWaalsContact O-CG 3.29Å; V186-R190 WeakPolarHBondContact O-CG 3.29Å; V186-R190 PolarHBondContact O-N 3.23Å; V186-I203 HydrophobicContact CG1-CB 4.04Å; V186-I203 HydrophobicContact CG1-CD1 4.11Å; V186-I203 HydrophobicContact CG1-CG2 3.9Å; V186-I203 HydrophobicContact CG2-CG2 4.22Å; V186-V206 HydrophobicContact CG2-CG2 3.18Å
187	T	93.4	Very high	93.5	Very high	56 Å²	56	57 Å²	57	34%	0.344	31%	0.308	S	S	.	.	H	α-helix	trans	-59.9	-39.3	172.6	-66.1	0	0	0	0	112	D184 K191	D184-T187 PolarHBondContact O-N 2.88Å; D184-T187 VanDerWaalsContact OD2-CB 3.26Å; D184-T187 WeakPolarHBondContact OD2-CB 3.34Å; D184-T187 PolarHBondContact OD2-N 3.01Å; D184-T187 PolarHBondContact OD2-OG1 2.97Å; T187-K191 HydrophobicContact CG2-CD 4.17Å; T187-K191 WeakPolarHBondContact O-CB 3.48Å; T187-K191 VanDerWaalsContact O-CG 3.28Å; T187-K191 WeakPolarHBondContact O-CG 3.45Å; T187-K191 PolarHBondContact O-N 3.1Å
188	L	95.3	Very high	93.4	Very high	32 Å²	32	59.8 Å²	59.8	17%	0.168	32%	0.323	C	S	.	.	H	α-helix	trans	-67.1	-44.9	-179.7	-67.3	175.8	0	0	0	112.7	F127 V180 R183 D184 V185 V186 K191 A192	F127-L188 HydrophobicContact CD1-CB 4.19Å; F127-L188 HydrophobicContact CD2-CB 3.61Å; F127-L188 HydrophobicContact CD2-CD1 3.95Å; F127-L188 HydrophobicContact CD2-CG 4.36Å; F127-L188 HydrophobicContact CE1-CB 4.2Å; F127-L188 HydrophobicContact CE2-CB 3.67Å; F127-L188 HydrophobicContact CE2-CD1 3.4Å; F127-L188 HydrophobicContact CE2-CG 4.17Å; F127-L188 HydrophobicContact CG-CB 3.9Å; F127-L188 HydrophobicContact CZ-CB 3.96Å; F127-L188 HydrophobicContact CZ-CD1 4.01Å; V180-L188 HydrophobicContact CB-CD1 4.32Å; V180-L188 HydrophobicContact CG1-CD1 3.84Å; V180-L188 HydrophobicContact CG2-CD1 4.25Å; R183-L188 HydrophobicContact CB-CD1 4.03Å; R183-L188 HydrophobicContact CB-CG 4.48Å; D184-L188 WeakPolarHBondContact O-CG 3.44Å; D184-L188 PolarHBondContact O-N 2.94Å; D184-L188 VanDerWaalsContact O-N 3.17Å; V185-L188 PolarHBondContact O-N 2.97Å; V186-L188 VanDerWaalsContact C-N 3.29Å; V186-L188 PolarHBondContact O-N 3.24Å; L188-K191 PolarHBondContact O-N 2.97Å; L188-A192 PolarHBondContact O-N 2.94Å
189	I	93.3	Very high	93.3	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-69	-39.6	176.2	-168	173.3	0	0	0	111.7	L83 F127 I130 F152 V185 V186 K191 A192 I193 I203	L83-I189 HydrophobicContact CD1-CD1 3.43Å; L83-I189 VanDerWaalsContact CD1-CD1 3.43Å; F127-I189 HydrophobicContact CD1-CB 3.85Å; F127-I189 HydrophobicContact CD1-CG1 4.49Å; F127-I189 HydrophobicContact CE1-CB 4.28Å; I130-I189 HydrophobicContact CG2-CD1 3.67Å; I130-I189 HydrophobicContact CG2-CG1 4.31Å; F152-I189 HydrophobicContact CE1-CD1 4.48Å; V185-I189 WeakPolarHBondContact O-CG2 3.5Å; V185-I189 PolarHBondContact O-N 3.15Å; V186-I189 WeakPolarHBondContact O-CG2 3.48Å; V186-I189 PolarHBondContact O-N 3.03Å; I189-K191 VanDerWaalsContact C-N 3.29Å; I189-K191 PolarHBondContact O-N 3.26Å; I189-A192 WeakPolarHBondContact O-CB 3.47Å; I189-A192 PolarHBondContact O-N 2.95Å; I189-A192 VanDerWaalsContact O-N 3.09Å; I189-I193 HydrophobicContact CG1-CD1 4.07Å; I189-I193 HydrophobicContact CG1-CG1 4.47Å; I189-I193 WeakPolarHBondContact O-CG1 3.47Å; I189-I193 PolarHBondContact O-N 3.32Å; I189-I203 HydrophobicContact CB-CD1 4.49Å; I189-I203 HydrophobicContact CG2-CD1 3.21Å
190	R	92.9	Very high	93	Very high	83 Å²	83	58.2 Å²	58.2	31%	0.313	29%	0.293	S	S	.	.	H	α-helix	trans	-57.4	-43.2	173.4	-77.2	177.2	180	151.6	1	110.9	D164 V186 I193 Q194 I203	D164-R190 IonicContact OD2-NH2 2.98Å; V186-R190 HydrophobicContact CG1-CG 4.41Å; V186-R190 VanDerWaalsContact CG1-CZ 3.42Å; V186-R190 WeakPolarHBondContact O-CB 3.18Å; V186-R190 VanDerWaalsContact O-CG 3.29Å; V186-R190 WeakPolarHBondContact O-CG 3.29Å; V186-R190 PolarHBondContact O-N 3.23Å; R190-I193 PolarHBondContact O-N 3.38Å; R190-Q194 WeakPolarHBondContact O-CB 3.16Å; R190-Q194 VanDerWaalsContact O-CG 3.26Å; R190-Q194 WeakPolarHBondContact O-CG 3.17Å; R190-Q194 PolarHBondContact O-N 2.95Å; R190-I203 HydrophobicContact CG-CD1 4.19Å; R190-I203 PolarHBondContact NH2-O 2.98Å
191	K	94.5	Very high	92.5	Very high	107 Å²	107	58.8 Å²	58.8	47%	0.465	30%	0.296	S	S	.	.	H	α-helix	trans	-64.5	-37.7	175.2	-76.4	176.1	179.1	177.4	0	113	T187 L188 I189 R195	T187-K191 HydrophobicContact CG2-CD 4.17Å; T187-K191 WeakPolarHBondContact O-CB 3.48Å; T187-K191 VanDerWaalsContact O-CG 3.28Å; T187-K191 WeakPolarHBondContact O-CG 3.45Å; T187-K191 PolarHBondContact O-N 3.1Å; L188-K191 PolarHBondContact O-N 2.97Å; I189-K191 VanDerWaalsContact C-N 3.29Å; I189-K191 PolarHBondContact O-N 3.26Å; K191-R195 WeakPolarHBondContact O-CB 3.3Å; K191-R195 WeakPolarHBondContact O-CG 3.3Å; K191-R195 PolarHBondContact O-N 2.97Å; K191-R195 PolarHBondContact O-NH1 3.49Å
192	A	95.3	Very high	92.1	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-65.9	-43.6	176.6	0	0	0	0	0	111.7	F127 D128 A131 L188 I189 R195 R196	F127-A192 HydrophobicContact CB-CB 3.97Å; F127-A192 VanDerWaalsContact O-CB 3.29Å; F127-A192 WeakPolarHBondContact O-CB 3.45Å; D128-A192 WeakPolarHBondContact OD1-CB 3.49Å; A131-A192 HydrophobicContact CB-CB 3.92Å; L188-A192 PolarHBondContact O-N 2.94Å; I189-A192 WeakPolarHBondContact O-CB 3.47Å; I189-A192 PolarHBondContact O-N 2.95Å; I189-A192 VanDerWaalsContact O-N 3.09Å; A192-R195 PolarHBondContact O-N 3.08Å; A192-R196 PolarHBondContact O-N 3.3Å; A192-R196 VanDerWaalsContact O-N 3.15Å
193	I	92.7	Very high	91.7	Very high	9 Å²	9	54.6 Å²	54.6	5%	0.046	26%	0.263	C	S	.	.	H	α-helix	trans	-65	-43.1	176.3	-64.5	172.5	0	0	0	110.8	A131 L134 I189 R190 R195 R196 G197 F199 I201	A131-I193 HydrophobicContact CB-CG1 3.97Å; L134-I193 HydrophobicContact CD2-CD1 4.27Å; I189-I193 HydrophobicContact CG1-CD1 4.07Å; I189-I193 HydrophobicContact CG1-CG1 4.47Å; I189-I193 WeakPolarHBondContact O-CG1 3.47Å; I189-I193 PolarHBondContact O-N 3.32Å; R190-I193 PolarHBondContact O-N 3.38Å; I193-R195 PolarHBondContact O-N 3.18Å; I193-R196 WeakPolarHBondContact O-CB 3.27Å; I193-R196 PolarHBondContact O-N 3.16Å; I193-R196 VanDerWaalsContact O-N 3.11Å; I193-G197 PolarHBondContact O-N 3.36Å; I193-F199 HydrophobicContact CB-CZ 4.4Å; I193-F199 HydrophobicContact CD1-CE2 3.89Å; I193-F199 HydrophobicContact CD1-CZ 4.09Å; I193-F199 HydrophobicContact CG1-CE2 4.04Å; I193-F199 HydrophobicContact CG1-CZ 3.79Å; I193-F199 HydrophobicContact CG2-CD2 4.17Å; I193-F199 HydrophobicContact CG2-CE1 4.38Å; I193-F199 HydrophobicContact CG2-CE2 3.8Å; I193-F199 HydrophobicContact CG2-CZ 3.92Å; I193-F199 WeakPolarHBondContact CG2-O 3.49Å; I193-I201 HydrophobicContact CD1-CD1 3.19Å; I193-I201 HydrophobicContact CD1-CG1 3.56Å
194	Q	93.3	Very high	91.3	Very high	148 Å²	148	48.3 Å²	48.3	69%	0.692	24%	0.243	S	C	*	.	H	α-helix	trans	-62	-40.4	174.5	-76.4	174.7	-4.4	0	0	113.2	R190 R196	R190-Q194 WeakPolarHBondContact O-CB 3.16Å; R190-Q194 VanDerWaalsContact O-CG 3.26Å; R190-Q194 WeakPolarHBondContact O-CG 3.17Å; R190-Q194 PolarHBondContact O-N 2.95Å; Q194-R196 PolarHBondContact O-N 3.1Å
195	R	94.8	Very high	91.2	Very high	127 Å²	127	47.8 Å²	47.8	48%	0.479	24%	0.24	S	C	.	.	H	α-helix	trans	-60.5	-33.4	174.3	-81.7	-169.8	-63.1	-83	4.4	111.9	D128 K191 A192 I193	D128-R195 IonicContact OD1-CZ 2.76Å; D128-R195 VanDerWaalsContact OD1-CZ 3.25Å; D128-R195 IonicContact OD1-NE 3.62Å; D128-R195 PolarHBondContact OD1-NE 2.82Å; D128-R195 IonicContact OD1-NH2 3.03Å; D128-R195 PolarHBondContact OD1-NH2 3.32Å; D128-R195 IonicContact OD2-NE 2.95Å; D128-R195 IonicContact OD2-NH2 3.98Å; K191-R195 WeakPolarHBondContact O-CB 3.3Å; K191-R195 WeakPolarHBondContact O-CG 3.3Å; K191-R195 PolarHBondContact O-N 2.97Å; K191-R195 PolarHBondContact O-NH1 3.49Å; A192-R195 PolarHBondContact O-N 3.08Å; I193-R195 PolarHBondContact O-N 3.18Å
196	R	92.7	Very high	91.1	Very high	93 Å²	93	47.9 Å²	47.9	35%	0.351	24%	0.24	S	C	.	.	H	α-helix	trans	-78.7	-48	180	-163.1	-173.6	167.2	99.5	-0.8	112.4	E132 A135 A192 I193 Q194 D198	E132-R196 VanDerWaalsContact CA-NH1 3.31Å; A135-R196 VanDerWaalsContact CB-NE 3.26Å; A135-R196 VanDerWaalsContact CB-NH2 3.28Å; A192-R196 PolarHBondContact O-N 3.3Å; A192-R196 VanDerWaalsContact O-N 3.15Å; I193-R196 WeakPolarHBondContact O-CB 3.27Å; I193-R196 PolarHBondContact O-N 3.16Å; I193-R196 VanDerWaalsContact O-N 3.11Å; Q194-R196 PolarHBondContact O-N 3.1Å; R196-D198 WeakPolarHBondContact CD-OD1 3.5Å; R196-D198 WeakPolarHBondContact CG-OD1 3.42Å; R196-D198 IonicContact CZ-OD2 2.76Å; R196-D198 VanDerWaalsContact NE-CG 3.27Å; R196-D198 IonicContact NE-OD1 3.36Å; R196-D198 PolarHBondContact NE-OD1 3.23Å; R196-D198 IonicContact NE-OD2 3.94Å; R196-D198 PolarHBondContact NE-OD2 2.91Å; R196-D198 IonicContact NH2-OD2 3.58Å; R196-D198 PolarHBondContact NH2-OD2 3.34Å; R196-D198 PolarHBondContact O-N 3.15Å
197	G	91.5	Very high	91.2	Very high	64 Å²	64	48 Å²	48	66%	0.66	24%	0.241	S	C	*	.			trans	76.4	9.3	169	0	0	0	0	0	117	I193	I193-G197 PolarHBondContact O-N 3.36Å
198	D	87.8	Confident	91.1	Very high	60 Å²	60	45.8 Å²	45.8	32%	0.321	23%	0.227	S	C	.	.	S	Bend	trans	-102.9	-2.1	-175.4	66.1	-31.6	0	0	0	115	K144 R196	K144-D198 IonicContact NZ-OD2 3.81Å; K144-D198 PolarHBondContact NZ-OD2 3.24Å; R196-D198 WeakPolarHBondContact CD-OD1 3.5Å; R196-D198 WeakPolarHBondContact CG-OD1 3.42Å; R196-D198 IonicContact CZ-OD2 2.76Å; R196-D198 VanDerWaalsContact NE-CG 3.27Å; R196-D198 IonicContact NE-OD1 3.36Å; R196-D198 PolarHBondContact NE-OD1 3.23Å; R196-D198 IonicContact NE-OD2 3.94Å; R196-D198 PolarHBondContact NE-OD2 2.91Å; R196-D198 IonicContact NH2-OD2 3.58Å; R196-D198 PolarHBondContact NH2-OD2 3.34Å; R196-D198 PolarHBondContact O-N 3.15Å
199	F	90	Very high	91	Very high	21 Å²	21	45.2 Å²	45.2	9%	0.092	22%	0.224	C	C	.	.			trans	-159.4	166.8	172.2	66.7	-81.8	0	0	0	111.7	L134 A135 M138 K144 I193 I201	L134-F199 HydrophobicContact CB-CZ 4.31Å; L134-F199 HydrophobicContact CD2-CE2 3.66Å; L134-F199 HydrophobicContact CD2-CZ 3.96Å; L134-F199 HydrophobicContact CG-CE2 3.92Å; L134-F199 HydrophobicContact CG-CZ 3.99Å; A135-F199 HydrophobicContact CB-CD1 3.99Å; A135-F199 HydrophobicContact CB-CE1 3.56Å; A135-F199 HydrophobicContact CB-CZ 4.41Å; M138-F199 HydrophobicContact CE-CD2 4.29Å; M138-F199 HydrophobicContact SD-CD2 3.62Å; M138-F199 HydrophobicContact SD-CE2 3.96Å; M138-F199 HydrophobicContact SD-CG 4.13Å; K144-F199 HydrophobicContact CB-CB 4.45Å; K144-F199 HydrophobicContact CD-CB 4.22Å; K144-F199 HydrophobicContact CG-CB 4.16Å; I193-F199 HydrophobicContact CB-CZ 4.4Å; I193-F199 HydrophobicContact CD1-CE2 3.89Å; I193-F199 HydrophobicContact CD1-CZ 4.09Å; I193-F199 HydrophobicContact CG1-CE2 4.04Å; I193-F199 HydrophobicContact CG1-CZ 3.79Å; I193-F199 HydrophobicContact CG2-CD2 4.17Å; I193-F199 HydrophobicContact CG2-CE1 4.38Å; I193-F199 HydrophobicContact CG2-CE2 3.8Å; I193-F199 HydrophobicContact CG2-CZ 3.92Å; I193-F199 WeakPolarHBondContact CG2-O 3.49Å; F199-I201 HydrophobicContact CD2-CG2 3.84Å; F199-I201 HydrophobicContact CE2-CG2 3.87Å
200	D	86.7	Confident	91.1	Very high	85 Å²	85	45.2 Å²	45.2	46%	0.455	22%	0.224	S	C	.	.			trans	-128.4	144.7	175.7	-171.7	24.3	0	0	0	110.4	K147	K147-D200 WeakPolarHBondContact CE-OD2 3.42Å; K147-D200 IonicContact NZ-OD2 3.88Å; K147-D200 PolarHBondContact NZ-OD2 2.79Å
201	I	84.1	Confident	91.2	Very high	13 Å²	13	41.2 Å²	41.2	7%	0.067	21%	0.209	C	C	.	.			trans	-137.7	154.4	178.4	58.2	165.3	0	0	0	110.6	L81 L134 M138 L150 I193 F199 I203	L81-I201 HydrophobicContact CD1-CG2 4.31Å; L134-I201 HydrophobicContact CD2-CD1 4.02Å; L134-I201 HydrophobicContact CD2-CG2 4.38Å; M138-I201 HydrophobicContact CE-CG2 4.44Å; M138-I201 HydrophobicContact SD-CG2 4.36Å; L150-I201 HydrophobicContact CB-CD1 4.39Å; L150-I201 HydrophobicContact CD1-CD1 3.75Å; L150-I201 HydrophobicContact CG-CD1 4.44Å; I193-I201 HydrophobicContact CD1-CD1 3.19Å; I193-I201 HydrophobicContact CD1-CG1 3.56Å; F199-I201 HydrophobicContact CD2-CG2 3.84Å; F199-I201 HydrophobicContact CE2-CG2 3.87Å; I201-I203 HydrophobicContact CD1-CD1 3.88Å; I201-I203 HydrophobicContact CD1-CG1 3.6Å; I201-I203 HydrophobicContact CG1-CG1 4.18Å
202	D	85.4	Confident	91.1	Very high	73 Å²	73	36.1 Å²	36.1	39%	0.39	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	100	172.1	-168.9	15.4	0	0	0	110.2	L148 P149 L150 V204	L148-D202 PolarHBondContact O-N 3.38Å; P149-D202 CarbonylContact C-O 3.57Å; P149-D202 WeakPolarHBondContact CA-O 3.19Å; L150-D202 PolarHBondContact N-O 2.87Å; D202-V204 PolarHBondContact O-N 3.04Å
203	I	85.6	Confident	91.1	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	109.3	177	-54.9	-179.8	0	0	0	108.1	L150 V186 I189 R190 I201	L150-I203 HydrophobicContact CB-CG1 4.49Å; L150-I203 HydrophobicContact CD2-CG1 4.08Å; L150-I203 HydrophobicContact CD2-CG2 4.37Å; V186-I203 HydrophobicContact CG1-CB 4.04Å; V186-I203 HydrophobicContact CG1-CD1 4.11Å; V186-I203 HydrophobicContact CG1-CG2 3.9Å; V186-I203 HydrophobicContact CG2-CG2 4.22Å; I189-I203 HydrophobicContact CB-CD1 4.49Å; I189-I203 HydrophobicContact CG2-CD1 3.21Å; R190-I203 HydrophobicContact CG-CD1 4.19Å; R190-I203 PolarHBondContact NH2-O 2.98Å; I201-I203 HydrophobicContact CD1-CD1 3.88Å; I201-I203 HydrophobicContact CD1-CG1 3.6Å; I201-I203 HydrophobicContact CG1-CG1 4.18Å
204	V	86.8	Confident	91.3	Very high	30 Å²	30	35.7 Å²	35.7	18%	0.182	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-20.3	-175.1	-58.8	0	0	0	0	113	P149 L150 D202 T457	P149-V204 HydrophobicContact CB-CG1 4.03Å; P149-V204 HydrophobicContact CB-CG2 4.19Å; L150-V204 PolarHBondContact O-N 2.82Å; D202-V204 PolarHBondContact O-N 3.04Å; V204-T457 HydrophobicContact CG2-CG2 3.24Å
205	A	91.4	Very high	91.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	138.1	-177.3	0	0	0	0	0	113.6	G151 F152 L163 V456	G151-A205 CarbonylContact C-O 3.06Å; G151-A205 WeakPolarHBondContact CA-O 3.33Å; F152-A205 PolarHBondContact N-O 3.25Å; L163-A205 HydrophobicContact CD1-CB 4.26Å; L163-A205 HydrophobicContact CD2-CB 3.86Å; L163-A205 HydrophobicContact CG-CB 3.71Å; L163-A205 CarbonylContact O-C 3.52Å; L163-A205 WeakPolarHBondContact O-CA 3.46Å; A205-V456 HydrophobicContact CB-CG1 3.88Å
206	V	93.1	Very high	91.1	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.012	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131	161.4	-174	0	0	0	0	109	F152 F154 Q160 L163 V185 V186	F152-V206 HydrophobicContact CB-CG2 4.28Å; F152-V206 CarbonylContact O-C 3.19Å; F152-V206 VanDerWaalsContact O-CA 3.28Å; F152-V206 WeakPolarHBondContact O-CA 3.39Å; F154-V206 HydrophobicContact CB-CG1 3.88Å; Q160-V206 PolarHBondContact NE2-O 2.98Å; L163-V206 PolarHBondContact O-N 3.46Å; V185-V206 HydrophobicContact CG2-CG1 4.36Å; V186-V206 HydrophobicContact CG2-CG2 3.18Å
207	V	93.9	Very high	91.1	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.012	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	154.2	-177	-64.3	0	0	0	0	112.5	V68 F152 T153 F154 V211 A453 V456	V68-V207 HydrophobicContact CG2-CG1 4.03Å; F152-V207 PolarHBondContact O-N 2.91Å; T153-V207 CarbonylContact C-O 3.4Å; T153-V207 VanDerWaalsContact CA-O 3.26Å; T153-V207 WeakPolarHBondContact CA-O 3.36Å; F154-V207 PolarHBondContact N-O 2.86Å; V207-V211 HydrophobicContact CB-CB 4.18Å; V207-V211 HydrophobicContact CB-CG1 4.13Å; V207-V211 HydrophobicContact CG1-CG1 4.12Å; V207-A453 HydrophobicContact CG2-CB 3.94Å; V207-V456 HydrophobicContact CG1-CB 4.19Å; V207-V456 HydrophobicContact CG1-CG1 3.77Å; V207-V456 HydrophobicContact CG1-CG2 3.99Å
208	N	93.1	Very high	91	Very high	10 Å²	10	15.2 Å²	15.2	5%	0.053	8%	0.082	C	C	.	.			trans	-74.1	158.7	168.8	-171.2	-98.4	0	0	0	110.8	T210 V211 G212 N235	N208-T210 VanDerWaalsContact C-N 3.3Å; N208-T210 PolarHBondContact O-N 2.89Å; N208-T210 WeakPolarHBondContact OD1-CB 3.47Å; N208-T210 WeakPolarHBondContact OD1-CG2 3.45Å; N208-T210 PolarHBondContact OD1-N 3.01Å; N208-T210 VanDerWaalsContact OD1-N 3.12Å; N208-T210 PolarHBondContact OD1-OG1 3.49Å; N208-V211 HydrophobicContact CB-CG2 4.18Å; N208-V211 WeakPolarHBondContact O-CB 3.36Å; N208-V211 PolarHBondContact O-N 3.47Å; N208-G212 PolarHBondContact O-N 3.41Å; N208-N235 PolarHBondContact OD1-ND2 2.75Å
209	D	92.1	Very high	90.9	Very high	20 Å²	20	12.5 Å²	12.5	11%	0.107	7%	0.067	C	C	.	.	H	α-helix	trans	-65.3	-30.8	177.4	48.6	6.3	0	0	0	113.5	T153 S155 G212 T213 I229	T153-D209 HydrophobicContact CG2-CB 3.93Å; S155-D209 VanDerWaalsContact CB-CG 3.48Å; S155-D209 WeakPolarHBondContact CB-OD2 3.18Å; S155-D209 VanDerWaalsContact OG-CB 3.23Å; S155-D209 WeakPolarHBondContact OG-CB 3.41Å; S155-D209 PolarHBondContact OG-OD2 2.94Å; D209-G212 PolarHBondContact O-N 3.07Å; D209-T213 WeakPolarHBondContact O-CB 3.12Å; D209-T213 PolarHBondContact O-N 3.21Å; D209-T213 PolarHBondContact O-OG1 3.28Å; D209-I229 HydrophobicContact CB-CD1 4.22Å; D209-I229 HydrophobicContact CB-CG1 4.29Å
210	T	94.8	Very high	90.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58.7	-48.7	170.4	55.2	0	0	0	0	111.2	N208 T213 M214 I229 N235 C237	N208-T210 VanDerWaalsContact C-N 3.3Å; N208-T210 PolarHBondContact O-N 2.89Å; N208-T210 WeakPolarHBondContact OD1-CB 3.47Å; N208-T210 WeakPolarHBondContact OD1-CG2 3.45Å; N208-T210 PolarHBondContact OD1-N 3.01Å; N208-T210 VanDerWaalsContact OD1-N 3.12Å; N208-T210 PolarHBondContact OD1-OG1 3.49Å; T210-T213 WeakPolarHBondContact O-CB 3.4Å; T210-T213 PolarHBondContact O-N 3.11Å; T210-M214 PolarHBondContact O-N 3.44Å; T210-I229 HydrophobicContact CG2-CB 4.15Å; T210-I229 HydrophobicContact CG2-CG1 3.6Å; T210-N235 VanDerWaalsContact CG2-C 3.45Å; T210-N235 HydrophobicContact CG2-CB 3.66Å; T210-N235 WeakPolarHBondContact CG2-O 3.41Å; T210-C237 PolarHBondContact O-SG 3.48Å; T210-C237 VanDerWaalsContact O-SG 3.39Å; T210-C237 WeakPolarHBondContact OG1-CB 3.36Å
211	V	95.1	Very high	90.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.5	-46.9	177.5	-178.6	0	0	0	0	110.2	T66 V68 V207 N208 T213 M214 M215 C237 V456	T66-V211 HydrophobicContact CG2-CG2 3.69Å; V68-V211 HydrophobicContact CB-CG1 4.32Å; V68-V211 HydrophobicContact CG2-CG1 3.81Å; V207-V211 HydrophobicContact CB-CB 4.18Å; V207-V211 HydrophobicContact CB-CG1 4.13Å; V207-V211 HydrophobicContact CG1-CG1 4.12Å; N208-V211 HydrophobicContact CB-CG2 4.18Å; N208-V211 WeakPolarHBondContact O-CB 3.36Å; N208-V211 PolarHBondContact O-N 3.47Å; V211-T213 VanDerWaalsContact C-N 3.29Å; V211-T213 PolarHBondContact O-N 3.13Å; V211-M214 WeakPolarHBondContact O-CB 3.44Å; V211-M214 PolarHBondContact O-N 3.09Å; V211-M215 HydrophobicContact CG1-CG 4.29Å; V211-M215 WeakPolarHBondContact O-CB 3.5Å; V211-M215 WeakPolarHBondContact O-CG 3.35Å; V211-M215 PolarHBondContact O-N 3.37Å; V211-C237 HydrophobicContact CG2-CB 4.15Å; V211-C237 PolarHBondContact N-SG 3.01Å; V211-C237 VanDerWaalsContact N-SG 3.44Å; V211-V456 HydrophobicContact CG1-CG2 4.39Å
212	G	93.9	Very high	90.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-56.1	-44.3	173.9	0	0	0	0	0	112.1	N208 D209 M215 T216 G452	N208-G212 PolarHBondContact O-N 3.41Å; D209-G212 PolarHBondContact O-N 3.07Å; G212-M215 PolarHBondContact O-N 2.88Å; G212-T216 WeakPolarHBondContact O-CB 3.3Å; G212-T216 PolarHBondContact O-N 2.66Å; G212-T216 PolarHBondContact O-OG1 3.4Å; G212-T216 VanDerWaalsContact O-OG1 3.14Å; G212-G452 WeakPolarHBondContact O-CA 3.23Å
213	T	94.5	Very high	91.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.2	-44.6	177.9	-60.6	0	0	0	0	112	D209 T210 V211 M215 T216 C217 I229 D413	D209-T213 WeakPolarHBondContact O-CB 3.12Å; D209-T213 PolarHBondContact O-N 3.21Å; D209-T213 PolarHBondContact O-OG1 3.28Å; T210-T213 WeakPolarHBondContact O-CB 3.4Å; T210-T213 PolarHBondContact O-N 3.11Å; V211-T213 VanDerWaalsContact C-N 3.29Å; V211-T213 PolarHBondContact O-N 3.13Å; T213-M215 VanDerWaalsContact C-N 3.3Å; T213-M215 PolarHBondContact O-N 3.09Å; T213-T216 PolarHBondContact O-N 2.99Å; T213-C217 WeakPolarHBondContact O-CB 3.49Å; T213-C217 PolarHBondContact O-N 3.27Å; T213-C217 PolarHBondContact O-SG 3.43Å; T213-I229 VanDerWaalsContact OG1-CD1 3.26Å; T213-I229 WeakPolarHBondContact OG1-CD1 3.19Å; T213-D413 HydrophobicContact CG2-CB 3.94Å
214	M	95.9	Very high	91.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-58.8	-43.5	175.4	-170.3	-176.6	70.9	0	0	111.1	T71 T210 V211 C217 G218 M239 C256	T71-M214 HydrophobicContact CG2-CE 4.45Å; T210-M214 PolarHBondContact O-N 3.44Å; V211-M214 WeakPolarHBondContact O-CB 3.44Å; V211-M214 PolarHBondContact O-N 3.09Å; M214-C217 PolarHBondContact O-N 2.98Å; M214-G218 WeakPolarHBondContact O-CA 3.04Å; M214-G218 PolarHBondContact O-N 2.85Å; M214-M239 HydrophobicContact CE-CG 4.22Å; M214-M239 HydrophobicContact CE-SD 3.72Å; M214-M239 HydrophobicContact SD-CG 4.17Å; M214-M239 HydrophobicContact SD-SD 4.4Å; M214-C256 HydrophobicContact CE-CB 3.84Å; M214-C256 WeakPolarHBondContact CE-SG 3.34Å
215	M	93.1	Very high	91.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-74.7	-37.4	-176.3	-64.4	-68.3	-70.1	0	0	112.4	V68 S70 T71 P72 V211 G212 T213 G218 Y219 M455 V456 V459	V68-M215 HydrophobicContact CG1-CE 4.05Å; V68-M215 HydrophobicContact CG1-SD 3.93Å; S70-M215 WeakPolarHBondContact O-CE 3.25Å; T71-M215 HydrophobicContact CG2-SD 4.47Å; P72-M215 HydrophobicContact CG-CE 3.96Å; V211-M215 HydrophobicContact CG1-CG 4.29Å; V211-M215 WeakPolarHBondContact O-CB 3.5Å; V211-M215 WeakPolarHBondContact O-CG 3.35Å; V211-M215 PolarHBondContact O-N 3.37Å; G212-M215 PolarHBondContact O-N 2.88Å; T213-M215 VanDerWaalsContact C-N 3.3Å; T213-M215 PolarHBondContact O-N 3.09Å; M215-G218 PolarHBondContact O-N 2.98Å; M215-Y219 PolarHBondContact O-N 2.86Å; M215-Y219 VanDerWaalsContact O-N 3.12Å; M215-M455 HydrophobicContact CB-CB 4.29Å; M215-V456 HydrophobicContact CB-CG2 4.02Å; M215-V456 HydrophobicContact CE-CG2 3.86Å; M215-V456 HydrophobicContact CG-CG2 3.54Å; M215-V456 HydrophobicContact SD-CG2 4.4Å; M215-V459 HydrophobicContact CE-CB 4.35Å; M215-V459 HydrophobicContact CE-CG2 3.83Å
216	T	91.2	Very high	92.2	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.012	8%	0.075	C	C	.	.	H	α-helix	trans	-58.2	-50.2	170.6	-67.6	0	0	0	0	110.8	G212 T213 S445 G448 K451 G452	G212-T216 WeakPolarHBondContact O-CB 3.3Å; G212-T216 PolarHBondContact O-N 2.66Å; G212-T216 PolarHBondContact O-OG1 3.4Å; G212-T216 VanDerWaalsContact O-OG1 3.14Å; T213-T216 PolarHBondContact O-N 2.99Å; T216-S445 VanDerWaalsContact CG2-OG 3.28Å; T216-S445 WeakPolarHBondContact CG2-OG 3.29Å; T216-G448 PolarHBondContact OG1-O 2.89Å; T216-G448 VanDerWaalsContact OG1-O 3.12Å; T216-K451 HydrophobicContact CG2-CB 4.32Å; T216-K451 HydrophobicContact CG2-CD 3.83Å; T216-K451 HydrophobicContact CG2-CG 4.21Å; T216-G452 WeakPolarHBondContact OG1-CA 3.36Å; T216-G452 PolarHBondContact OG1-N 2.9Å
217	C	92.3	Very high	92.4	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.007	8%	0.075	C	C	.	.	H	α-helix	trans	-72.9	-30.9	-178.9	-70.1	0	0	0	0	112.4	T213 M214 Y219 D220 D221 C224 G411 L443	T213-C217 WeakPolarHBondContact O-CB 3.49Å; T213-C217 PolarHBondContact O-N 3.27Å; T213-C217 PolarHBondContact O-SG 3.43Å; M214-C217 PolarHBondContact O-N 2.98Å; C217-Y219 VanDerWaalsContact C-N 3.28Å; C217-Y219 PolarHBondContact O-N 3.13Å; C217-D220 PolarHBondContact O-N 3.33Å; C217-D221 PolarHBondContact O-N 2.75Å; C217-C224 HydrophobicContact CB-CB 4.44Å; C217-G411 VanDerWaalsContact SG-CA 3.51Å; C217-L443 HydrophobicContact CB-CB 4.41Å; C217-L443 HydrophobicContact CB-CD2 3.92Å; C217-L443 HydrophobicContact CB-CG 4.3Å; C217-L443 PolarHBondContact SG-O 3.43Å
218	G	90.1	Very high	92.6	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-68.6	-25.5	177	0	0	0	0	0	114	M214 M215 D221 H222	M214-G218 WeakPolarHBondContact O-CA 3.04Å; M214-G218 PolarHBondContact O-N 2.85Å; M215-G218 PolarHBondContact O-N 2.98Å; G218-D221 WeakPolarHBondContact CA-O 3.4Å; G218-D221 CarbonylContact O-C 3.13Å; G218-H222 PolarHBondContact O-ND1 2.83Å
219	Y	86.2	Confident	92.7	Very high	3 Å²	3	14.7 Å²	14.7	1%	0.012	8%	0.075	C	C	.	.	H	α-helix	trans	-66.1	-40.7	169.5	-172.5	-94.8	0	0	0	112	P72 V97 Q103 V105 M215 C217 M455	P72-Y219 HydrophobicContact CB-CD2 3.94Å; V97-Y219 HydrophobicContact CG1-CE2 4.14Å; Q103-Y219 WeakPolarHBondContact CA-OH 3.32Å; Q103-Y219 HydrophobicContact CB-CE1 3.94Å; V105-Y219 HydrophobicContact CG2-CD1 4.2Å; V105-Y219 HydrophobicContact CG2-CE1 3.52Å; M215-Y219 PolarHBondContact O-N 2.86Å; M215-Y219 VanDerWaalsContact O-N 3.12Å; C217-Y219 VanDerWaalsContact C-N 3.28Å; C217-Y219 PolarHBondContact O-N 3.13Å; Y219-M455 HydrophobicContact CD2-SD 3.58Å; Y219-M455 VanDerWaalsContact CD2-SD 3.58Å; Y219-M455 HydrophobicContact CE2-SD 4.04Å; Y219-M455 HydrophobicContact CG-SD 3.95Å
220	D	85.5	Confident	92.8	Very high	89 Å²	89	13.7 Å²	13.7	48%	0.476	7%	0.07	S	C	.	.	H	α-helix	trans	-85.5	-24.1	-178.7	-55.9	-29.2	0	0	0	112.5	C217 L443 K451	C217-D220 PolarHBondContact O-N 3.33Å; D220-L443 HydrophobicContact CB-CD2 4.17Å; D220-K451 IonicContact OD1-NZ 3.63Å; D220-K451 PolarHBondContact OD1-NZ 3.32Å; D220-K451 IonicContact OD2-NZ 2.75Å
221	D	87.8	Confident	92.7	Very high	14 Å²	14	13.9 Å²	13.9	8%	0.075	7%	0.071	C	C	.	.			trans	-145.7	104.7	177.5	-173.4	-12.3	0	0	0	111.3	C217 G218 N223 C224 T409 R441 L443	C217-D221 PolarHBondContact O-N 2.75Å; G218-D221 WeakPolarHBondContact CA-O 3.4Å; G218-D221 CarbonylContact O-C 3.13Å; D221-N223 PolarHBondContact O-N 3.05Å; D221-N223 WeakPolarHBondContact OD1-CB 3.37Å; D221-N223 PolarHBondContact OD1-N 3.49Å; D221-N223 PolarHBondContact OD1-ND2 2.78Å; D221-C224 VanDerWaalsContact O-CB 3.26Å; D221-C224 WeakPolarHBondContact O-CB 3.46Å; D221-C224 PolarHBondContact O-N 3.5Å; D221-T409 HydrophobicContact CB-CG2 4.39Å; D221-T409 PolarHBondContact OD2-OG1 3.29Å; D221-R441 WeakPolarHBondContact OD2-CD 3.41Å; D221-R441 IonicContact OD2-CZ 2.76Å; D221-R441 IonicContact OD2-NE 2.75Å; D221-R441 IonicContact OD2-NH1 3.68Å; D221-R441 PolarHBondContact OD2-NH1 3.2Å; D221-L443 HydrophobicContact CB-CD2 4.04Å
222	H	85.9	Confident	92.3	Very high	90 Å²	90	17.3 Å²	17.3	42%	0.417	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-5.1	-179.1	-58	-55.7	0	0	0	115	P72 G218 C224	P72-H222 PolarHBondContact O-CE1 2.79Å; P72-H222 PolarHBondContact O-ND1 3Å; G218-H222 PolarHBondContact O-ND1 2.83Å; H222-C224 VanDerWaalsContact C-N 3.29Å
223	N	90.1	Very high	92.1	Very high	62 Å²	62	17.7 Å²	17.7	33%	0.332	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	1.8	170.2	-53.8	-72.2	0	0	0	113	D221 E225 T409	D221-N223 PolarHBondContact O-N 3.05Å; D221-N223 WeakPolarHBondContact OD1-CB 3.37Å; D221-N223 PolarHBondContact OD1-N 3.49Å; D221-N223 PolarHBondContact OD1-ND2 2.78Å; N223-E225 PolarHBondContact O-N 3.32Å; N223-T409 PolarHBondContact O-N 2.93Å
224	C	94.1	Very high	92	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.007	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	110	-178.7	-166.9	0	0	0	0	111.4	C217 D221 H222 T409 G411	C217-C224 HydrophobicContact CB-CB 4.44Å; D221-C224 VanDerWaalsContact O-CB 3.26Å; D221-C224 WeakPolarHBondContact O-CB 3.46Å; D221-C224 PolarHBondContact O-N 3.5Å; H222-C224 VanDerWaalsContact C-N 3.29Å; C224-T409 WeakPolarHBondContact CA-O 3.25Å; C224-T409 HydrophobicContact CB-CG2 4.15Å; C224-G411 PolarHBondContact SG-N 3.3Å
225	E	94.9	Very high	92	Very high	12 Å²	12	18.2 Å²	18.2	6%	0.056	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	-0.5	-177.4	-65.9	177.1	128.2	0	0	112.9	N223 Y238 M239 R254 I397 K401 S408 T409	N223-E225 PolarHBondContact O-N 3.32Å; E225-Y238 CarbonylContact O-C 3.08Å; E225-Y238 WeakPolarHBondContact O-CA 3.39Å; E225-Y238 WeakPolarHBondContact O-CB 3Å; E225-M239 PolarHBondContact O-N 3.14Å; E225-R254 IonicContact OE1-NH1 3.16Å; E225-R254 PolarHBondContact OE1-NH1 2.91Å; E225-I397 HydrophobicContact CB-CD1 4.29Å; E225-K401 WeakPolarHBondContact OE1-CE 3.43Å; E225-K401 IonicContact OE1-NZ 2.8Å; E225-K401 PolarHBondContact OE1-NZ 3.44Å; E225-K401 IonicContact OE2-NZ 3.78Å; E225-K401 PolarHBondContact OE2-NZ 3.26Å; E225-S408 PolarHBondContact OE2-OG 2.98Å; E225-T409 PolarHBondContact N-O 3.49Å
226	I	98.2	Very high	92.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	131.6	179.3	-55.3	176.5	0	0	0	109.2	C237 L390 V393 L394 I397 I410 G411	I226-C237 WeakPolarHBondContact CA-O 3.37Å; I226-C237 WeakPolarHBondContact CG2-O 3.5Å; I226-L390 HydrophobicContact CG2-CD2 4.11Å; I226-V393 HydrophobicContact CD1-CB 4.42Å; I226-V393 HydrophobicContact CD1-CG1 3.72Å; I226-V393 HydrophobicContact CG1-CG1 4.08Å; I226-L394 HydrophobicContact CD1-CD2 3.7Å; I226-L394 HydrophobicContact CD1-CG 4Å; I226-I397 HydrophobicContact CD1-CD1 3.83Å; I226-I397 HydrophobicContact CG1-CD1 3.7Å; I226-I410 HydrophobicContact CB-CB 4.43Å; I226-I410 HydrophobicContact CB-CG1 4.11Å; I226-I410 HydrophobicContact CB-CG2 4.17Å; I226-I410 HydrophobicContact CD1-CD1 4.21Å; I226-I410 HydrophobicContact CD1-CG1 4.06Å; I226-I410 HydrophobicContact CG2-CG1 4.48Å; I226-I410 HydrophobicContact CG2-CG2 3.94Å; I226-G411 PolarHBondContact O-N 2.9Å
227	G	97.6	Very high	92.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.3	167.8	0	0	0	0	0	110.5	A236 C237 G411	G227-A236 CarbonylContact O-C 3.39Å; G227-A236 WeakPolarHBondContact O-CA 3.32Å; G227-A236 VanDerWaalsContact O-CB 3.32Å; G227-A236 WeakPolarHBondContact O-CB 3.46Å; G227-C237 PolarHBondContact N-O 3.17Å; G227-C237 PolarHBondContact O-N 3.22Å; G227-G411 CarbonylContact C-O 3.51Å
228	L	97.8	Very high	92.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.3	-176.7	174.6	64.6	0	0	0	110.8	V230 A236 W261 L390 I410 G411 V412 D413 L427	L228-V230 HydrophobicContact CD1-CG2 3.9Å; L228-V230 HydrophobicContact CD2-CG2 4.15Å; L228-V230 HydrophobicContact CG-CG2 3.93Å; L228-A236 HydrophobicContact CD1-CB 4.09Å; L228-W261 HydrophobicContact CD1-CH2 3.38Å; L228-W261 HydrophobicContact CD1-CZ2 3.37Å; L228-L390 HydrophobicContact CD1-CD2 4.46Å; L228-L390 HydrophobicContact CD2-CD1 3.85Å; L228-I410 HydrophobicContact CB-CG2 3.9Å; L228-I410 HydrophobicContact CD2-CG2 4.41Å; L228-G411 PolarHBondContact N-O 2.81Å; L228-V412 HydrophobicContact CB-CG1 4.27Å; L228-V412 HydrophobicContact CB-CG2 4.26Å; L228-V412 HydrophobicContact CD2-CG1 3.89Å; L228-V412 HydrophobicContact CD2-CG2 4.06Å; L228-V412 HydrophobicContact CG-CG1 4.06Å; L228-V412 WeakPolarHBondContact O-CA 3.49Å; L228-D413 PolarHBondContact O-N 3.2Å; L228-L427 HydrophobicContact CD2-CD2 3.95Å
229	I	95	Very high	93.2	Very high	14 Å²	14	18.2 Å²	18.2	7%	0.072	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.2	170.3	-61.6	-61.2	0	0	0	109	D209 T210 T213 S234 N235 D413	D209-I229 HydrophobicContact CB-CD1 4.22Å; D209-I229 HydrophobicContact CB-CG1 4.29Å; T210-I229 HydrophobicContact CG2-CB 4.15Å; T210-I229 HydrophobicContact CG2-CG1 3.6Å; T213-I229 VanDerWaalsContact OG1-CD1 3.26Å; T213-I229 WeakPolarHBondContact OG1-CD1 3.19Å; I229-S234 VanDerWaalsContact O-CA 3.28Å; I229-S234 WeakPolarHBondContact O-CA 3.39Å; I229-N235 PolarHBondContact N-O 2.87Å; I229-N235 PolarHBondContact O-N 3.11Å; I229-N235 VanDerWaalsContact O-N 3.1Å; I229-D413 WeakPolarHBondContact CA-O 3.2Å; I229-D413 HydrophobicContact CD1-CB 3.75Å
230	V	95.1	Very high	93.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	86.8	166.4	-164.8	0	0	0	0	109.3	L228 I297 D413 G414 S415 V416 Y417 F423	L228-V230 HydrophobicContact CD1-CG2 3.9Å; L228-V230 HydrophobicContact CD2-CG2 4.15Å; L228-V230 HydrophobicContact CG-CG2 3.93Å; V230-I297 HydrophobicContact CG1-CG2 4.21Å; V230-D413 PolarHBondContact N-O 2.76Å; V230-G414 CarbonylContact O-C 3.49Å; V230-G414 WeakPolarHBondContact O-CA 3.31Å; V230-S415 PolarHBondContact O-N 3.3Å; V230-V416 HydrophobicContact CG1-CB 4.06Å; V230-V416 HydrophobicContact CG1-CG1 4.16Å; V230-V416 WeakPolarHBondContact O-CB 3.48Å; V230-V416 PolarHBondContact O-N 2.82Å; V230-Y417 PolarHBondContact O-N 3.4Å; V230-F423 HydrophobicContact CB-CE1 4.3Å; V230-F423 HydrophobicContact CG1-CE1 3.86Å; V230-F423 HydrophobicContact CG1-CZ 3.74Å; V230-F423 HydrophobicContact CG2-CE1 4.33Å
231	G	91.6	Very high	93.8	Very high	3 Å²	3	15.4 Å²	15.4	3%	0.031	8%	0.083	C	C	.	.	S	Bend	trans	-135.4	-127.6	-175.1	0	0	0	0	0	111.4	G233 G299 S415	G231-G233 VanDerWaalsContact C-N 3.28Å; G231-G233 CarbonylContact C-O 3.53Å; G231-G233 PolarHBondContact N-O 3.47Å; G231-G299 WeakPolarHBondContact O-CA 3.44Å; G231-G299 PolarHBondContact O-N 2.91Å; G231-S415 WeakPolarHBondContact CA-OG 3.13Å
232	T	87.3	Confident	93.8	Very high	73 Å²	73	14.9 Å²	14.9	45%	0.448	8%	0.08	S	C	.	.	S	Bend	trans	-58.1	-44.8	171.7	-54	0	0	0	0	110.9	S298 M300	T232-S298 WeakPolarHBondContact O-CB 3.32Å; T232-S298 PolarHBondContact O-OG 2.88Å; T232-M300 HydrophobicContact CG2-CB 4.1Å; T232-M300 HydrophobicContact CG2-SD 4.4Å; T232-M300 WeakPolarHBondContact O-CB 3.43Å; T232-M300 PolarHBondContact O-N 3.16Å
233	G	90	Very high	93.7	Very high	7 Å²	7	15.8 Å²	15.8	7%	0.072	8%	0.08	C	C	.	.	S	Bend	trans	-109.3	-175.9	168.2	0	0	0	0	0	112	G231 E294	G231-G233 VanDerWaalsContact C-N 3.28Å; G231-G233 CarbonylContact C-O 3.53Å; G231-G233 PolarHBondContact N-O 3.47Å; G233-E294 WeakPolarHBondContact CA-OE2 3.14Å
234	S	93.3	Very high	93.8	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.007	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	124.4	174	-179.8	0	0	0	0	110.2	I229 W261 E294	I229-S234 VanDerWaalsContact O-CA 3.28Å; I229-S234 WeakPolarHBondContact O-CA 3.39Å; S234-W261 VanDerWaalsContact O-CD1 3.23Å; S234-W261 PolarHBondContact O-NE1 3.08Å; S234-W261 VanDerWaalsContact O-NE1 3.1Å; S234-W261 PolarHBondContact OG-NE1 3.33Å; S234-W261 VanDerWaalsContact OG-NE1 3.08Å; S234-E294 PolarHBondContact N-OE2 2.74Å
235	N	95.6	Very high	93.8	Very high	10 Å²	10	15.4 Å²	15.4	5%	0.053	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	163.1	176	-165.4	23.2	0	0	0	111.2	N208 T210 I229 N258 E260 W261	N208-N235 PolarHBondContact OD1-ND2 2.75Å; T210-N235 VanDerWaalsContact CG2-C 3.45Å; T210-N235 HydrophobicContact CG2-CB 3.66Å; T210-N235 WeakPolarHBondContact CG2-O 3.41Å; I229-N235 PolarHBondContact N-O 2.87Å; I229-N235 PolarHBondContact O-N 3.11Å; I229-N235 VanDerWaalsContact O-N 3.1Å; N235-N258 PolarHBondContact ND2-OD1 2.87Å; N235-E260 VanDerWaalsContact OD1-CA 3.27Å; N235-E260 WeakPolarHBondContact OD1-CA 3.34Å; N235-E260 PolarHBondContact OD1-N 3.47Å; N235-W261 VanDerWaalsContact CA-CD1 3.44Å; N235-W261 PolarHBondContact OD1-N 3.05Å
236	A	97.9	Very high	93.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	155.8	167.9	0	0	0	0	0	112.8	G227 L228 M259 W261	G227-A236 CarbonylContact O-C 3.39Å; G227-A236 WeakPolarHBondContact O-CA 3.32Å; G227-A236 VanDerWaalsContact O-CB 3.32Å; G227-A236 WeakPolarHBondContact O-CB 3.46Å; L228-A236 HydrophobicContact CD1-CB 4.09Å; A236-M259 VanDerWaalsContact C-CE 3.44Å; A236-M259 HydrophobicContact CB-CE 3.24Å; A236-M259 WeakPolarHBondContact O-CB 3.44Å; A236-M259 VanDerWaalsContact O-CE 3.26Å; A236-M259 WeakPolarHBondContact O-CE 3.49Å; A236-M259 WeakPolarHBondContact O-CG 3.49Å; A236-M259 PolarHBondContact O-N 3.35Å; A236-M259 VanDerWaalsContact O-N 3.08Å; A236-W261 HydrophobicContact CB-CD2 4.08Å; A236-W261 HydrophobicContact CB-CE3 3.82Å; A236-W261 HydrophobicContact CB-CH2 3.59Å; A236-W261 HydrophobicContact CB-CZ2 3.84Å; A236-W261 HydrophobicContact CB-CZ3 3.57Å
237	C	98.1	Very high	93	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	160.7	171.8	73.2	0	0	0	0	110.4	T210 V211 I226 G227 C256 I257	T210-C237 PolarHBondContact O-SG 3.48Å; T210-C237 VanDerWaalsContact O-SG 3.39Å; T210-C237 WeakPolarHBondContact OG1-CB 3.36Å; V211-C237 HydrophobicContact CG2-CB 4.15Å; V211-C237 PolarHBondContact N-SG 3.01Å; V211-C237 VanDerWaalsContact N-SG 3.44Å; I226-C237 WeakPolarHBondContact CA-O 3.37Å; I226-C237 WeakPolarHBondContact CG2-O 3.5Å; G227-C237 PolarHBondContact N-O 3.17Å; G227-C237 PolarHBondContact O-N 3.22Å; C237-C256 VanDerWaalsContact SG-SG 3.61Å; C237-I257 CarbonylContact C-O 3.59Å; C237-I257 WeakPolarHBondContact CA-O 3.46Å; C237-I257 WeakPolarHBondContact CB-O 3.32Å
238	Y	98.3	Very high	92.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	164.8	173.2	75.7	-73.1	0	0	0	112.5	M47 M63 E225 E240 C256 I257 M259 V393 R396 I397	M47-Y238 HydrophobicContact CE-CD1 4.41Å; M47-Y238 HydrophobicContact CE-CE1 3.58Å; M47-Y238 HydrophobicContact CE-CE2 4.39Å; M47-Y238 WeakPolarHBondContact CE-OH 3.47Å; M63-Y238 HydrophobicContact CE-CE1 3.65Å; M63-Y238 WeakPolarHBondContact CE-OH 3.22Å; E225-Y238 CarbonylContact O-C 3.08Å; E225-Y238 WeakPolarHBondContact O-CA 3.39Å; E225-Y238 WeakPolarHBondContact O-CB 3Å; Y238-E240 HydrophobicContact CD2-CB 4.48Å; Y238-E240 HydrophobicContact CE2-CB 3.71Å; Y238-E240 HydrophobicContact CE2-CG 4.3Å; Y238-E240 WeakPolarHBondContact CE2-OE2 3.26Å; Y238-E240 PolarHBondContact OH-OE2 3.18Å; Y238-C256 CarbonylContact O-C 3.53Å; Y238-C256 VanDerWaalsContact O-CA 3.3Å; Y238-C256 WeakPolarHBondContact O-CA 3.35Å; Y238-I257 HydrophobicContact CE1-CB 4.16Å; Y238-I257 HydrophobicContact CE1-CG2 4.34Å; Y238-I257 PolarHBondContact N-O 2.86Å; Y238-I257 VanDerWaalsContact N-O 3.09Å; Y238-I257 PolarHBondContact O-N 3.47Å; Y238-M259 HydrophobicContact CD1-CG 4.02Å; Y238-M259 HydrophobicContact CD1-SD 3.9Å; Y238-M259 HydrophobicContact CE1-CG 4.06Å; Y238-M259 HydrophobicContact CE1-SD 4.05Å; Y238-V393 HydrophobicContact CD1-CG1 4.03Å; Y238-V393 HydrophobicContact CD2-CG1 4.12Å; Y238-V393 HydrophobicContact CG-CG1 3.68Å; Y238-R396 HydrophobicContact CE2-CG 4.23Å; Y238-I397 HydrophobicContact CD2-CD1 4.15Å; Y238-I397 HydrophobicContact CD2-CG1 3.89Å
239	M	96.5	Very high	91.1	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.02	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	115	173.3	-64.9	-60.4	-64.5	0	0	111.4	T71 M214 E225 R254 C256	T71-M239 HydrophobicContact CG2-CG 4.26Å; T71-M239 HydrophobicContact CG2-SD 4.35Å; M214-M239 HydrophobicContact CE-CG 4.22Å; M214-M239 HydrophobicContact CE-SD 3.72Å; M214-M239 HydrophobicContact SD-CG 4.17Å; M214-M239 HydrophobicContact SD-SD 4.4Å; E225-M239 PolarHBondContact O-N 3.14Å; M239-R254 HydrophobicContact CE-CB 3.68Å; M239-C256 HydrophobicContact SD-CB 3.68Å
240	E	96.2	Very high	89.6	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	153.9	175.5	-177.2	55.2	-93.6	0	0	110.7	L51 Y238 H244 I245 R254 M255 I257 R396 N400	L51-E240 HydrophobicContact CD1-CG 4.17Å; L51-E240 HydrophobicContact CD2-CG 4.4Å; Y238-E240 HydrophobicContact CD2-CB 4.48Å; Y238-E240 HydrophobicContact CE2-CB 3.71Å; Y238-E240 HydrophobicContact CE2-CG 4.3Å; Y238-E240 WeakPolarHBondContact CE2-OE2 3.26Å; Y238-E240 PolarHBondContact OH-OE2 3.18Å; E240-H244 HydrophobicContact CG-CB 4.22Å; E240-H244 IonicContact OE1-CE1 3.23Å; E240-H244 IonicContact OE1-CG 3.41Å; E240-H244 IonicContact OE1-ND1 2.69Å; E240-H244 PolarHBondContact OE1-ND1 3.42Å; E240-I245 HydrophobicContact CB-CD1 4.27Å; E240-I245 HydrophobicContact CB-CG1 4.46Å; E240-I245 HydrophobicContact CG-CD1 4.28Å; E240-I245 HydrophobicContact CG-CG1 3.95Å; E240-R254 CarbonylContact O-C 3.6Å; E240-R254 WeakPolarHBondContact O-CA 3.16Å; E240-R254 VanDerWaalsContact O-CB 3.29Å; E240-R254 WeakPolarHBondContact O-CB 3.39Å; E240-M255 PolarHBondContact N-O 2.83Å; E240-M255 PolarHBondContact O-N 2.86Å; E240-I257 HydrophobicContact CB-CG1 3.69Å; E240-I257 HydrophobicContact CG-CG1 4.36Å; E240-R396 IonicContact OE1-NE 2.97Å; E240-R396 IonicContact OE1-NH2 3.31Å; E240-R396 IonicContact OE2-CZ 3.53Å; E240-R396 IonicContact OE2-NE 3.17Å; E240-R396 PolarHBondContact OE2-NE 2.91Å; E240-R396 IonicContact OE2-NH2 3.17Å; E240-R396 PolarHBondContact OE2-NH2 3.13Å; E240-N400 PolarHBondContact OE1-ND2 2.87Å
241	E	89.4	Confident	88.4	Confident	33 Å²	33	39 Å²	39	15%	0.154	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	133.4	174.5	-60.6	-63.9	143.1	0	0	110.2	R243 H244 R254 N400	E241-R243 VanDerWaalsContact C-N 3.25Å; E241-R243 HydrophobicContact CB-CG 3.97Å; E241-R243 PolarHBondContact O-N 2.76Å; E241-H244 WeakPolarHBondContact O-CB 3.43Å; E241-H244 PolarHBondContact O-N 3.19Å; E241-R254 VanDerWaalsContact OE1-CD 3.27Å; E241-R254 WeakPolarHBondContact OE1-CD 3.37Å; E241-R254 WeakPolarHBondContact OE1-CG 3.27Å; E241-N400 HydrophobicContact CG-CB 3.96Å
242	M	86	Confident	87	Confident	2 Å²	2	41.9 Å²	41.9	1%	0.01	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-57.3	-37.3	-176.4	-79.8	-75.7	-60.7	0	0	113.2	H244 I245 V248 G250 E252 G253 M255	M242-H244 PolarHBondContact O-N 3.4Å; M242-I245 PolarHBondContact O-N 3.35Å; M242-I245 HydrophobicContact SD-CD1 4.01Å; M242-V248 HydrophobicContact CE-CB 4.32Å; M242-V248 HydrophobicContact CE-CG1 3.75Å; M242-G250 WeakPolarHBondContact CE-O 3.28Å; M242-E252 VanDerWaalsContact CG-O 3.23Å; M242-E252 WeakPolarHBondContact CG-O 3.34Å; M242-G253 WeakPolarHBondContact CB-O 3.47Å; M242-G253 WeakPolarHBondContact CG-O 3.32Å; M242-G253 PolarHBondContact N-O 3.03Å; M242-M255 HydrophobicContact CE-CE 4.3Å; M242-M255 HydrophobicContact CG-CB 4.43Å; M242-M255 HydrophobicContact SD-CB 3.64Å; M242-M255 HydrophobicContact SD-CE 3.68Å
243	R	83.8	Confident	86.4	Confident	110 Å²	110	38.8 Å²	38.8	42%	0.415	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-57	-12.9	173.6	66.4	172.5	-179.5	-172.4	-7.1	115.5	E241 D251 L798	E241-R243 VanDerWaalsContact C-N 3.25Å; E241-R243 HydrophobicContact CB-CG 3.97Å; E241-R243 PolarHBondContact O-N 2.76Å; R243-D251 HydrophobicContact CB-CB 4.11Å; R243-L798 VanDerWaalsContact NH1-CD1 3.26Å
244	H	92.8	Very high	86.3	Confident	51 Å²	51	41.8 Å²	41.8	24%	0.236	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-105.3	3.6	177	-57.7	150.9	0	0	0	112.9	L51 E240 E241 M242 R396 N400	L51-H244 WeakPolarHBondContact CB-O 3.32Å; E240-H244 HydrophobicContact CG-CB 4.22Å; E240-H244 IonicContact OE1-CE1 3.23Å; E240-H244 IonicContact OE1-CG 3.41Å; E240-H244 IonicContact OE1-ND1 2.69Å; E240-H244 PolarHBondContact OE1-ND1 3.42Å; E241-H244 WeakPolarHBondContact O-CB 3.43Å; E241-H244 PolarHBondContact O-N 3.19Å; M242-H244 PolarHBondContact O-N 3.4Å; H244-R396 PolarHBondContact ND1-NH2 3.2Å; H244-N400 PolarHBondContact CE1-OD1 3.1Å; H244-N400 PolarHBondContact ND1-OD1 2.84Å
245	I	93.4	Very high	86.4	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.021	21%	0.21	C	C	.	.			trans	-110.8	79	-175.5	-50	170.1	0	0	0	108.3	L51 P65 E240 M242 M247 V248 M255 I257	L51-I245 HydrophobicContact CD2-CG1 4.18Å; P65-I245 HydrophobicContact CG-CG2 4.18Å; E240-I245 HydrophobicContact CB-CD1 4.27Å; E240-I245 HydrophobicContact CB-CG1 4.46Å; E240-I245 HydrophobicContact CG-CD1 4.28Å; E240-I245 HydrophobicContact CG-CG1 3.95Å; M242-I245 PolarHBondContact O-N 3.35Å; M242-I245 HydrophobicContact SD-CD1 4.01Å; I245-M247 PolarHBondContact O-N 2.92Å; I245-V248 HydrophobicContact CG2-CB 4.18Å; I245-V248 HydrophobicContact CG2-CG2 3.85Å; I245-V248 PolarHBondContact O-N 3.43Å; I245-M255 HydrophobicContact CD1-CB 3.79Å; I245-I257 HydrophobicContact CD1-CD1 3.76Å; I245-I257 HydrophobicContact CD1-CG1 4.15Å; I245-I257 HydrophobicContact CG1-CD1 4.15Å; I245-I257 HydrophobicContact CG2-CD1 4.18Å
246	D	90.8	Very high	86.4	Confident	100 Å²	100	41.3 Å²	41.3	54%	0.535	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.9	-175.2	-61.1	-3.3	0	0	0	113.5	L51 G52 A53 V248	L51-D246 PolarHBondContact O-N 3.4Å; G52-D246 WeakPolarHBondContact CA-OD2 3.49Å; A53-D246 HydrophobicContact CB-CB 3.56Å; A53-D246 PolarHBondContact N-OD2 2.97Å; D246-V248 VanDerWaalsContact C-N 3.26Å; D246-V248 PolarHBondContact O-N 2.76Å
247	M	87.4	Confident	86.4	Confident	84 Å²	84	41.3 Å²	41.3	41%	0.414	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-7.8	-179.4	-63.4	-61.2	-64.6	0	0	113.9	A53 H56 P65 I245	A53-M247 HydrophobicContact CB-SD 3.96Å; H56-M247 HydrophobicContact CB-CG 4.37Å; H56-M247 HydrophobicContact CB-SD 4Å; P65-M247 HydrophobicContact CG-CB 4.46Å; I245-M247 PolarHBondContact O-N 2.92Å
248	V	83.3	Confident	86.3	Confident	19 Å²	19	41.6 Å²	41.6	12%	0.115	21%	0.21	C	C	.	.	S	Bend	trans	-125.2	129.5	179.5	-176.3	0	0	0	0	108.9	P65 F67 M242 I245 D246 G250 M255	P65-V248 HydrophobicContact CB-CG2 3.6Å; P65-V248 HydrophobicContact CG-CG2 3.54Å; F67-V248 HydrophobicContact CE1-CG1 4.43Å; F67-V248 HydrophobicContact CZ-CG2 4.47Å; M242-V248 HydrophobicContact CE-CB 4.32Å; M242-V248 HydrophobicContact CE-CG1 3.75Å; I245-V248 HydrophobicContact CG2-CB 4.18Å; I245-V248 HydrophobicContact CG2-CG2 3.85Å; I245-V248 PolarHBondContact O-N 3.43Å; D246-V248 VanDerWaalsContact C-N 3.26Å; D246-V248 PolarHBondContact O-N 2.76Å; V248-G250 PolarHBondContact O-N 2.74Å; V248-M255 HydrophobicContact CG1-CE 4.02Å; V248-M255 HydrophobicContact CG2-CE 4.43Å; V248-M255 HydrophobicContact CG2-SD 4.44Å
249	E	71.6	Confident	86.3	Confident	188 Å²	188	41.6 Å²	41.6	88%	0.879	21%	0.21	S	C	*	.	S	Bend	trans	-65.8	131.9	173.6	-70.3	-175.9	172.4	0	0	111.1
250	G	62.6	Low	86.2	Confident	46 Å²	46	42.2 Å²	42.2	47%	0.474	21%	0.212	S	C	.	.			trans	115.4	140.2	179.5	0	0	0	0	0	112.5	M242 V248	M242-G250 WeakPolarHBondContact CE-O 3.28Å; V248-G250 PolarHBondContact O-N 2.74Å
251	D	69.6	Low	86.2	Confident	83 Å²	83	42.2 Å²	42.2	44%	0.444	21%	0.212	S	C	.	.			trans	-105.9	3.8	176.6	62.5	-22.7	0	0	0	112.3	R243 L797	R243-D251 HydrophobicContact CB-CB 4.11Å; D251-L797 WeakPolarHBondContact OD1-CD1 3.35Å
252	E	62	Low	86.5	Confident	64 Å²	64	40.7 Å²	40.7	30%	0.299	21%	0.205	S	C	.	.	S	Bend	trans	-93.1	120.5	-167.7	-78.7	-179.8	178.1	0	0	114.4	M242 L797 I817	M242-E252 VanDerWaalsContact CG-O 3.23Å; M242-E252 WeakPolarHBondContact CG-O 3.34Å; E252-L797 HydrophobicContact CB-CD1 4.47Å; E252-L797 HydrophobicContact CG-CD1 3.12Å; E252-L797 HydrophobicContact CG-CD2 3.68Å; E252-L797 HydrophobicContact CG-CG 3.9Å; E252-L797 VanDerWaalsContact OE1-CD1 3.27Å; E252-L797 WeakPolarHBondContact OE1-CD1 3.41Å; E252-L797 VanDerWaalsContact OE1-CD2 3.23Å; E252-L797 WeakPolarHBondContact OE1-CD2 3.36Å; E252-I817 HydrophobicContact CB-CD1 3.68Å; E252-I817 HydrophobicContact CB-CG1 4.43Å; E252-I817 VanDerWaalsContact CD-CG1 3.43Å; E252-I817 HydrophobicContact CG-CD1 3.79Å; E252-I817 HydrophobicContact CG-CG1 3.99Å; E252-I817 WeakPolarHBondContact OE2-CD1 3.39Å; E252-I817 WeakPolarHBondContact OE2-CG1 3.41Å
253	G	75.9	Confident	86.9	Confident	8 Å²	8	41.1 Å²	41.1	8%	0.082	21%	0.209	C	C	.	.	S	Bend	trans	80.2	-151.7	172.4	0	0	0	0	0	112.9	M242	M242-G253 WeakPolarHBondContact CB-O 3.47Å; M242-G253 WeakPolarHBondContact CG-O 3.32Å; M242-G253 PolarHBondContact N-O 3.03Å
254	R	88.4	Confident	87.6	Confident	71 Å²	71	35.9 Å²	35.9	27%	0.268	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	158.5	-177.7	-61.3	-175.8	-62.7	170.4	1.8	110.5	R69 E225 M239 E240 E241	R69-R254 CarbonylContact C-O 3.56Å; R69-R254 VanDerWaalsContact CA-O 3.25Å; R69-R254 WeakPolarHBondContact CA-O 3.42Å; R69-R254 VanDerWaalsContact O-O 3.08Å; E225-R254 IonicContact OE1-NH1 3.16Å; E225-R254 PolarHBondContact OE1-NH1 2.91Å; M239-R254 HydrophobicContact CE-CB 3.68Å; E240-R254 CarbonylContact O-C 3.6Å; E240-R254 WeakPolarHBondContact O-CA 3.16Å; E240-R254 VanDerWaalsContact O-CB 3.29Å; E240-R254 WeakPolarHBondContact O-CB 3.39Å; E241-R254 VanDerWaalsContact OE1-CD 3.27Å; E241-R254 WeakPolarHBondContact OE1-CD 3.37Å; E241-R254 WeakPolarHBondContact OE1-CG 3.27Å
255	M	93.6	Very high	87.8	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	140.7	169.9	-174.9	-178.5	-65.6	0	0	109.7	P65 F67 V68 R69 E240 M242 I245 V248 I257	P65-M255 HydrophobicContact CB-SD 3.69Å; F67-M255 HydrophobicContact CD1-CE 4.03Å; F67-M255 HydrophobicContact CE1-CE 4.37Å; F67-M255 HydrophobicContact CG-CE 4.32Å; F67-M255 PolarHBondContact N-SD 2.89Å; F67-M255 VanDerWaalsContact N-SD 3.38Å; V68-M255 WeakPolarHBondContact O-CA 3.49Å; R69-M255 HydrophobicContact CG-CE 4.31Å; E240-M255 PolarHBondContact N-O 2.83Å; E240-M255 PolarHBondContact O-N 2.86Å; M242-M255 HydrophobicContact CE-CE 4.3Å; M242-M255 HydrophobicContact CG-CB 4.43Å; M242-M255 HydrophobicContact SD-CB 3.64Å; M242-M255 HydrophobicContact SD-CE 3.68Å; I245-M255 HydrophobicContact CD1-CB 3.79Å; V248-M255 HydrophobicContact CG1-CE 4.02Å; V248-M255 HydrophobicContact CG2-CE 4.43Å; V248-M255 HydrophobicContact CG2-SD 4.44Å; M255-I257 PolarHBondContact O-N 2.71Å
256	C	96.8	Very high	88	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	128.7	169.9	-172.1	0	0	0	0	109.6	T66 V68 M214 C237 Y238 M239	T66-C256 WeakPolarHBondContact CB-O 3.49Å; T66-C256 VanDerWaalsContact CG2-O 3.23Å; T66-C256 WeakPolarHBondContact CG2-O 3.17Å; T66-C256 PolarHBondContact N-O 3.36Å; T66-C256 WeakPolarHBondContact OG1-CB 3.25Å; T66-C256 PolarHBondContact OG1-O 3.29Å; V68-C256 HydrophobicContact CB-CB 4.12Å; V68-C256 PolarHBondContact O-N 3Å; M214-C256 HydrophobicContact CE-CB 3.84Å; M214-C256 WeakPolarHBondContact CE-SG 3.34Å; C237-C256 VanDerWaalsContact SG-SG 3.61Å; Y238-C256 CarbonylContact O-C 3.53Å; Y238-C256 VanDerWaalsContact O-CA 3.3Å; Y238-C256 WeakPolarHBondContact O-CA 3.35Å; M239-C256 HydrophobicContact SD-CB 3.68Å
257	I	97.8	Very high	88.2	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	124.8	175	-66.4	-60.1	0	0	0	109	L51 M63 C237 Y238 E240 I245 M255	L51-I257 HydrophobicContact CD2-CD1 4.25Å; L51-I257 HydrophobicContact CD2-CG1 4.19Å; M63-I257 VanDerWaalsContact C-CG2 3.47Å; M63-I257 HydrophobicContact CB-CG2 3.82Å; M63-I257 HydrophobicContact CE-CG2 3.9Å; M63-I257 HydrophobicContact SD-CG2 4.19Å; C237-I257 CarbonylContact C-O 3.59Å; C237-I257 WeakPolarHBondContact CA-O 3.46Å; C237-I257 WeakPolarHBondContact CB-O 3.32Å; Y238-I257 HydrophobicContact CE1-CB 4.16Å; Y238-I257 HydrophobicContact CE1-CG2 4.34Å; Y238-I257 PolarHBondContact N-O 2.86Å; Y238-I257 VanDerWaalsContact N-O 3.09Å; Y238-I257 PolarHBondContact O-N 3.47Å; E240-I257 HydrophobicContact CB-CG1 3.69Å; E240-I257 HydrophobicContact CG-CG1 4.36Å; I245-I257 HydrophobicContact CD1-CD1 3.76Å; I245-I257 HydrophobicContact CD1-CG1 4.15Å; I245-I257 HydrophobicContact CG1-CD1 4.15Å; I245-I257 HydrophobicContact CG2-CD1 4.18Å; M255-I257 PolarHBondContact O-N 2.71Å
258	N	97	Very high	88.6	Confident	7 Å²	7	31 Å²	31	4%	0.037	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	111.5	167.3	173.8	13.6	0	0	0	108.8	M63 L64 T66 N235 E260	M63-N258 CarbonylContact C-O 3.56Å; L64-N258 HydrophobicContact CB-CB 4.38Å; L64-N258 PolarHBondContact N-O 3.1Å; L64-N258 PolarHBondContact O-N 2.66Å; T66-N258 HydrophobicContact CG2-CB 3.79Å; N235-N258 PolarHBondContact ND2-OD1 2.87Å; N258-E260 VanDerWaalsContact C-N 3.32Å; N258-E260 PolarHBondContact ND2-OE1 2.95Å; N258-E260 PolarHBondContact O-N 3.43Å; N258-E260 PolarHBondContact OD1-N 2.72Å; N258-E260 PolarHBondContact OD1-OE1 2.9Å
259	M	96.8	Very high	89.1	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.179	C	C	.	.			trans	-71.2	-29.1	-171.8	-61.3	-174.2	-75.6	0	0	112.9	F43 M47 V61 K62 M63 A236 Y238 W261 V393	F43-M259 HydrophobicContact CE1-SD 3.94Å; F43-M259 HydrophobicContact CZ-SD 3.96Å; M47-M259 HydrophobicContact CE-SD 4.3Å; V61-M259 HydrophobicContact CG1-CB 4.24Å; V61-M259 WeakPolarHBondContact CG1-O 3.49Å; K62-M259 PolarHBondContact N-O 3.11Å; M63-M259 HydrophobicContact CE-CG 4.32Å; M63-M259 PolarHBondContact N-O 3.15Å; M63-M259 HydrophobicContact SD-CB 3.93Å; M63-M259 HydrophobicContact SD-CG 3.71Å; A236-M259 VanDerWaalsContact C-CE 3.44Å; A236-M259 HydrophobicContact CB-CE 3.24Å; A236-M259 WeakPolarHBondContact O-CB 3.44Å; A236-M259 VanDerWaalsContact O-CE 3.26Å; A236-M259 WeakPolarHBondContact O-CE 3.49Å; A236-M259 WeakPolarHBondContact O-CG 3.49Å; A236-M259 PolarHBondContact O-N 3.35Å; A236-M259 VanDerWaalsContact O-N 3.08Å; Y238-M259 HydrophobicContact CD1-CG 4.02Å; Y238-M259 HydrophobicContact CD1-SD 3.9Å; Y238-M259 HydrophobicContact CE1-CG 4.06Å; Y238-M259 HydrophobicContact CE1-SD 4.05Å; M259-W261 HydrophobicContact CB-CB 4.26Å; M259-W261 HydrophobicContact CE-CD2 4.39Å; M259-W261 HydrophobicContact CE-CE3 3.63Å; M259-W261 HydrophobicContact CE-CZ3 4.03Å; M259-W261 PolarHBondContact O-N 3.2Å; M259-V393 HydrophobicContact CE-CG2 3.79Å; M259-V393 HydrophobicContact SD-CG2 3.56Å; M259-V393 VanDerWaalsContact SD-CG2 3.56Å
260	E	95.1	Very high	90.3	Very high	16 Å²	16	22.8 Å²	22.8	8%	0.075	14%	0.137	C	C	.	.			trans	48.8	48.6	-166.5	-69.2	-61.5	155.3	0	0	111.2	K62 L64 P157 N235 N258 G262 A263	K62-E260 HydrophobicContact CB-CB 4.43Å; L64-E260 HydrophobicContact CD1-CG 3.65Å; L64-E260 HydrophobicContact CG-CG 4.44Å; P157-E260 HydrophobicContact CB-CG 4.36Å; N235-E260 VanDerWaalsContact OD1-CA 3.27Å; N235-E260 WeakPolarHBondContact OD1-CA 3.34Å; N235-E260 PolarHBondContact OD1-N 3.47Å; N258-E260 VanDerWaalsContact C-N 3.32Å; N258-E260 PolarHBondContact ND2-OE1 2.95Å; N258-E260 PolarHBondContact O-N 3.43Å; N258-E260 PolarHBondContact OD1-N 2.72Å; N258-E260 PolarHBondContact OD1-OE1 2.9Å; E260-G262 PolarHBondContact O-N 2.79Å; E260-A263 PolarHBondContact O-N 3.33Å
261	W	96.6	Very high	91.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-67.8	-8.4	-169.7	73.5	6.3	0	0	0	114	F43 L228 S234 N235 A236 M259 A263 F264 F293 T389 L390	F43-W261 HydrophobicContact CE1-CE3 4.33Å; F43-W261 HydrophobicContact CE2-CB 3.64Å; F43-W261 HydrophobicContact CZ-CB 3.59Å; F43-W261 AromaticContact CZ-CE3 3.96Å; F43-W261 HydrophobicContact CZ-CE3 3.96Å; F43-W261 HydrophobicContact CZ-CG 4.5Å; L228-W261 HydrophobicContact CD1-CH2 3.38Å; L228-W261 HydrophobicContact CD1-CZ2 3.37Å; S234-W261 VanDerWaalsContact O-CD1 3.23Å; S234-W261 PolarHBondContact O-NE1 3.08Å; S234-W261 VanDerWaalsContact O-NE1 3.1Å; S234-W261 PolarHBondContact OG-NE1 3.33Å; S234-W261 VanDerWaalsContact OG-NE1 3.08Å; N235-W261 VanDerWaalsContact CA-CD1 3.44Å; N235-W261 PolarHBondContact OD1-N 3.05Å; A236-W261 HydrophobicContact CB-CD2 4.08Å; A236-W261 HydrophobicContact CB-CE3 3.82Å; A236-W261 HydrophobicContact CB-CH2 3.59Å; A236-W261 HydrophobicContact CB-CZ2 3.84Å; A236-W261 HydrophobicContact CB-CZ3 3.57Å; M259-W261 HydrophobicContact CB-CB 4.26Å; M259-W261 HydrophobicContact CE-CD2 4.39Å; M259-W261 HydrophobicContact CE-CE3 3.63Å; M259-W261 HydrophobicContact CE-CZ3 4.03Å; M259-W261 PolarHBondContact O-N 3.2Å; W261-A263 PolarHBondContact O-N 3.3Å; W261-F264 WeakPolarHBondContact O-CB 3.23Å; W261-F264 PolarHBondContact O-N 2.68Å; W261-F293 WeakPolarHBondContact O-CD1 2.98Å; W261-T389 WeakPolarHBondContact CZ3-OG1 3.45Å; W261-L390 HydrophobicContact CH2-CD2 3.93Å; W261-L390 HydrophobicContact CH2-CG 4.02Å; W261-L390 HydrophobicContact CZ3-CD2 3.99Å; W261-L390 HydrophobicContact CZ3-CG 4.19Å
262	G	94.9	Very high	93.2	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.01	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-64.3	-29.1	-177	0	0	0	0	0	111.9	E260 F264 Q291 L292 F293 E294	E260-G262 PolarHBondContact O-N 2.79Å; G262-F264 VanDerWaalsContact C-N 3.27Å; G262-F264 PolarHBondContact O-N 2.96Å; G262-Q291 CarbonylContact O-C 3.11Å; G262-Q291 WeakPolarHBondContact O-CA 3.25Å; G262-L292 PolarHBondContact O-N 3.45Å; G262-F293 WeakPolarHBondContact O-CB 3.11Å; G262-F293 PolarHBondContact O-N 3.32Å; G262-F293 VanDerWaalsContact O-N 3.15Å; G262-E294 PolarHBondContact O-N 2.88Å; G262-E294 VanDerWaalsContact O-N 3.11Å
263	A	95	Very high	94.8	Very high	11 Å²	11	23.3 Å²	23.3	9%	0.091	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-79.6	-1	176.3	0	0	0	0	0	113.9	A60 E260 W261 G265 D266	A60-A263 WeakPolarHBondContact O-CB 3.45Å; E260-A263 PolarHBondContact O-N 3.33Å; W261-A263 PolarHBondContact O-N 3.3Å; A263-G265 PolarHBondContact O-N 2.85Å; A263-D266 WeakPolarHBondContact O-CB 3.46Å; A263-D266 PolarHBondContact O-N 3.49Å
264	F	98.1	Very high	95.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	131.2	176.1	179.3	-147.6	0	0	0	110.2	I39 R42 F43 E46 V61 W261 G262 L270 F293 T389	I39-F264 HydrophobicContact CG2-CE1 3.95Å; R42-F264 HydrophobicContact CB-CE2 4.37Å; R42-F264 HydrophobicContact CB-CZ 3.91Å; F43-F264 HydrophobicContact CB-CD1 4.41Å; F43-F264 HydrophobicContact CB-CE1 3.8Å; F43-F264 HydrophobicContact CB-CZ 3.91Å; F43-F264 HydrophobicContact CD2-CB 4.24Å; F43-F264 AromaticContact CD2-CD1 3.51Å; F43-F264 HydrophobicContact CD2-CD1 3.51Å; F43-F264 HydrophobicContact CD2-CD2 4.17Å; F43-F264 AromaticContact CD2-CE1 3.78Å; F43-F264 HydrophobicContact CD2-CE1 3.78Å; F43-F264 HydrophobicContact CD2-CE2 4.43Å; F43-F264 AromaticContact CD2-CG 3.73Å; F43-F264 HydrophobicContact CD2-CG 3.73Å; F43-F264 HydrophobicContact CD2-CZ 4.25Å; F43-F264 HydrophobicContact CE2-CB 4.28Å; F43-F264 HydrophobicContact CE2-CD1 4.24Å; F43-F264 HydrophobicContact CE2-CG 4.26Å; F43-F264 HydrophobicContact CG-CD1 4.37Å; F43-F264 HydrophobicContact CG-CE1 4.24Å; E46-F264 HydrophobicContact CG-CD2 4.14Å; E46-F264 HydrophobicContact CG-CE2 4.06Å; V61-F264 HydrophobicContact CG2-CB 3.92Å; V61-F264 HydrophobicContact CG2-CD2 4.26Å; V61-F264 HydrophobicContact CG2-CG 4.35Å; W261-F264 WeakPolarHBondContact O-CB 3.23Å; W261-F264 PolarHBondContact O-N 2.68Å; G262-F264 VanDerWaalsContact C-N 3.27Å; G262-F264 PolarHBondContact O-N 2.96Å; F264-L270 HydrophobicContact CD1-CD1 3.73Å; F264-L270 HydrophobicContact CD1-CG 4.47Å; F264-L270 HydrophobicContact CD2-CD1 4.37Å; F264-L270 HydrophobicContact CE1-CD1 3.91Å; F264-L270 HydrophobicContact CE1-CD2 3.85Å; F264-L270 HydrophobicContact CE1-CG 4.27Å; F264-L270 HydrophobicContact CE2-CD2 4.19Å; F264-L270 HydrophobicContact CE2-CG 4.29Å; F264-L270 HydrophobicContact CG-CD1 3.97Å; F264-L270 HydrophobicContact CZ-CD1 4.29Å; F264-L270 HydrophobicContact CZ-CD2 3.66Å; F264-L270 HydrophobicContact CZ-CG 4.17Å; F264-F293 HydrophobicContact CB-CB 3.85Å; F264-F293 HydrophobicContact CB-CD1 4.31Å; F264-F293 HydrophobicContact CB-CG 4.07Å; F264-F293 HydrophobicContact CD1-CD1 4.39Å; F264-F293 AromaticContact CD1-CD2 3.86Å; F264-F293 HydrophobicContact CD1-CD2 3.86Å; F264-F293 HydrophobicContact CD1-CE2 4.02Å; F264-F293 HydrophobicContact CD1-CG 4.05Å; F264-F293 HydrophobicContact CD1-CZ 4.36Å; F264-F293 HydrophobicContact CE1-CE2 4.46Å; F264-F293 WeakPolarHBondContact O-CB 3.38Å; F264-F293 PolarHBondContact O-N 2.63Å; F264-T389 HydrophobicContact CD1-CG2 4.24Å; F264-T389 HydrophobicContact CE1-CG2 4.33Å
265	G	97.1	Very high	96.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	-5.5	-175.5	0	0	0	0	0	115.9	A263 D267 G268 S269 L292	A263-G265 PolarHBondContact O-N 2.85Å; G265-D267 PolarHBondContact O-N 3.2Å; G265-D267 VanDerWaalsContact O-N 3.12Å; G265-G268 WeakPolarHBondContact O-CA 3.17Å; G265-G268 PolarHBondContact O-N 3.33Å; G265-S269 WeakPolarHBondContact CA-OG 3.42Å; G265-L292 WeakPolarHBondContact O-CD1 3.47Å
266	D	96.5	Very high	96.5	Very high	34 Å²	34	26.4 Å²	26.4	18%	0.182	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-20.6	175.3	-77.5	12.4	0	0	0	112.9	A263 G268 K290 Q291 L292	A263-D266 WeakPolarHBondContact O-CB 3.46Å; A263-D266 PolarHBondContact O-N 3.49Å; D266-G268 VanDerWaalsContact C-N 3.33Å; D266-K290 VanDerWaalsContact OD2-CA 3.3Å; D266-K290 WeakPolarHBondContact OD2-CA 3.21Å; D266-Q291 PolarHBondContact OD1-N 3.04Å; D266-Q291 PolarHBondContact OD2-N 3.48Å; D266-Q291 VanDerWaalsContact OD2-N 3.08Å; D266-L292 WeakPolarHBondContact OD1-CG 3.11Å; D266-L292 PolarHBondContact OD1-N 3.43Å
267	D	95.1	Very high	96.5	Very high	79 Å²	79	26.8 Å²	26.8	42%	0.422	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	3.7	174.2	67.1	-11.5	0	0	0	113.8	K49 A60 G265 S269	K49-D267 IonicContact NZ-OD2 2.72Å; A60-D267 HydrophobicContact CB-CB 4.48Å; G265-D267 PolarHBondContact O-N 3.2Å; G265-D267 VanDerWaalsContact O-N 3.12Å; D267-S269 WeakPolarHBondContact OD1-CB 3.18Å; D267-S269 PolarHBondContact OD1-N 3.06Å; D267-S269 VanDerWaalsContact OD1-N 3.09Å; D267-S269 PolarHBondContact OD1-OG 2.68Å
268	G	95.7	Very high	96.5	Very high	25 Å²	25	27 Å²	27	26%	0.258	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	0.5	-178.9	0	0	0	0	0	115	G265 D266 L270 N271	G265-G268 WeakPolarHBondContact O-CA 3.17Å; G265-G268 PolarHBondContact O-N 3.33Å; D266-G268 VanDerWaalsContact C-N 3.33Å; G268-L270 PolarHBondContact O-N 2.79Å; G268-N271 WeakPolarHBondContact CA-ND2 3.25Å; G268-N271 WeakPolarHBondContact O-CB 3.48Å; G268-N271 VanDerWaalsContact O-CG 3.32Å; G268-N271 PolarHBondContact O-N 3.02Å; G268-N271 VanDerWaalsContact O-N 3.1Å; G268-N271 PolarHBondContact O-ND2 2.75Å
269	S	95.1	Very high	96.5	Very high	34 Å²	34	30.9 Å²	30.9	24%	0.238	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-10.8	-178.2	55.6	0	0	0	0	115.5	R42 G265 D267	R42-S269 PolarHBondContact NH1-O 3.32Å; G265-S269 WeakPolarHBondContact CA-OG 3.42Å; D267-S269 WeakPolarHBondContact OD1-CB 3.18Å; D267-S269 PolarHBondContact OD1-N 3.06Å; D267-S269 VanDerWaalsContact OD1-N 3.09Å; D267-S269 PolarHBondContact OD1-OG 2.68Å
270	L	97.2	Very high	96.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	10.6	176.9	-63.2	-176.4	0	0	0	113.7	F264 G268 D272 I273 R274 F293 M296	F264-L270 HydrophobicContact CD1-CD1 3.73Å; F264-L270 HydrophobicContact CD1-CG 4.47Å; F264-L270 HydrophobicContact CD2-CD1 4.37Å; F264-L270 HydrophobicContact CE1-CD1 3.91Å; F264-L270 HydrophobicContact CE1-CD2 3.85Å; F264-L270 HydrophobicContact CE1-CG 4.27Å; F264-L270 HydrophobicContact CE2-CD2 4.19Å; F264-L270 HydrophobicContact CE2-CG 4.29Å; F264-L270 HydrophobicContact CG-CD1 3.97Å; F264-L270 HydrophobicContact CZ-CD1 4.29Å; F264-L270 HydrophobicContact CZ-CD2 3.66Å; F264-L270 HydrophobicContact CZ-CG 4.17Å; G268-L270 PolarHBondContact O-N 2.79Å; L270-D272 PolarHBondContact O-N 2.75Å; L270-D272 VanDerWaalsContact O-N 3.16Å; L270-I273 HydrophobicContact CB-CD1 4.22Å; L270-I273 HydrophobicContact CB-CG1 3.97Å; L270-I273 HydrophobicContact CD1-CD1 4.42Å; L270-I273 HydrophobicContact CD2-CD1 3.87Å; L270-I273 HydrophobicContact CD2-CG1 4.29Å; L270-I273 HydrophobicContact CG-CD1 4.4Å; L270-I273 WeakPolarHBondContact O-CG1 3.36Å; L270-I273 PolarHBondContact O-N 3.38Å; L270-I273 VanDerWaalsContact O-N 3.11Å; L270-R274 WeakPolarHBondContact O-CG 3.44Å; L270-R274 PolarHBondContact O-N 2.72Å; L270-F293 HydrophobicContact CD1-CB 4.26Å; L270-F293 HydrophobicContact CD1-CD2 3.71Å; L270-F293 HydrophobicContact CD1-CG 4.41Å; L270-M296 HydrophobicContact CD1-CE 4.04Å
271	N	96.1	Very high	96.6	Very high	86 Å²	86	35.1 Å²	35.1	46%	0.46	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-24.7	-176	-77.1	-18.1	0	0	0	113.8	G268 I273	G268-N271 WeakPolarHBondContact CA-ND2 3.25Å; G268-N271 WeakPolarHBondContact O-CB 3.48Å; G268-N271 VanDerWaalsContact O-CG 3.32Å; G268-N271 PolarHBondContact O-N 3.02Å; G268-N271 VanDerWaalsContact O-N 3.1Å; G268-N271 PolarHBondContact O-ND2 2.75Å; N271-I273 VanDerWaalsContact C-N 3.34Å
272	D	95.6	Very high	96.6	Very high	102 Å²	102	35.9 Å²	35.9	55%	0.545	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-22	177.6	60.1	-41.3	0	0	0	113.9	R42 L270	R42-D272 IonicContact CZ-OD1 3.65Å; R42-D272 IonicContact CZ-OD2 2.92Å; R42-D272 VanDerWaalsContact NH1-CG 3.28Å; R42-D272 IonicContact NH1-OD1 2.91Å; R42-D272 PolarHBondContact NH1-OD1 2.84Å; R42-D272 IonicContact NH1-OD2 3.46Å; R42-D272 PolarHBondContact NH1-OD2 2.96Å; R42-D272 IonicContact NH2-OD1 3.69Å; R42-D272 IonicContact NH2-OD2 2.82Å; R42-D272 PolarHBondContact NH2-OD2 3.12Å; L270-D272 PolarHBondContact O-N 2.75Å; L270-D272 VanDerWaalsContact O-N 3.16Å
273	I	95.9	Very high	96.6	Very high	15 Å²	15	42.3 Å²	42.3	8%	0.077	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-13.1	178.3	66.3	160.4	0	0	0	113.1	T35 I39 L270 N271 M296 L385	T35-I273 HydrophobicContact CG2-CG2 4.18Å; I39-I273 HydrophobicContact CD1-CD1 3.71Å; I39-I273 HydrophobicContact CD1-CG2 4.35Å; I39-I273 HydrophobicContact CG1-CD1 4.23Å; L270-I273 HydrophobicContact CB-CD1 4.22Å; L270-I273 HydrophobicContact CB-CG1 3.97Å; L270-I273 HydrophobicContact CD1-CD1 4.42Å; L270-I273 HydrophobicContact CD2-CD1 3.87Å; L270-I273 HydrophobicContact CD2-CG1 4.29Å; L270-I273 HydrophobicContact CG-CD1 4.4Å; L270-I273 WeakPolarHBondContact O-CG1 3.36Å; L270-I273 PolarHBondContact O-N 3.38Å; L270-I273 VanDerWaalsContact O-N 3.11Å; N271-I273 VanDerWaalsContact C-N 3.34Å; I273-M296 HydrophobicContact CD1-CE 4.31Å; I273-L385 HydrophobicContact CD1-CD2 3.97Å
274	R	97.7	Very high	96.3	Very high	31 Å²	31	45 Å²	45	12%	0.117	25%	0.252	C	S	.	.			trans	-76.3	133.7	175.4	-74.1	-179.4	69.9	-155	6.6	110	L270 D278 D282 M296	L270-R274 WeakPolarHBondContact O-CG 3.44Å; L270-R274 PolarHBondContact O-N 2.72Å; R274-D278 HydrophobicContact CB-CB 4.26Å; R274-D278 HydrophobicContact CG-CB 4.43Å; R274-D278 PolarHBondContact NH2-O 2.86Å; R274-D282 IonicContact NH2-OD2 3.62Å; R274-D282 PolarHBondContact NH2-OD2 3.01Å; R274-D282 VanDerWaalsContact NH2-OD2 3.14Å; R274-M296 HydrophobicContact CG-CE 4.23Å; R274-M296 HydrophobicContact CG-SD 3.87Å
275	T	97.9	Very high	95.9	Very high	18 Å²	18	46.2 Å²	46.2	11%	0.11	26%	0.26	C	S	.	.			trans	-94.9	171.3	176.7	67.7	0	0	0	0	111.2	H28 M29 F277 D278 Q279	H28-T275 HydrophobicContact CB-CG2 4.14Å; M29-T275 HydrophobicContact CE-CG2 3.94Å; M29-T275 WeakPolarHBondContact CE-OG1 3.41Å; M29-T275 HydrophobicContact CG-CG2 3.87Å; T275-F277 PolarHBondContact O-N 3.19Å; T275-F277 PolarHBondContact OG1-N 3.18Å; T275-D278 WeakPolarHBondContact CB-OD2 3.31Å; T275-D278 PolarHBondContact N-OD2 3.38Å; T275-D278 WeakPolarHBondContact O-CB 3.49Å; T275-D278 PolarHBondContact O-N 3.18Å; T275-D278 VanDerWaalsContact O-N 3.08Å; T275-D278 PolarHBondContact OG1-N 2.96Å; T275-D278 PolarHBondContact OG1-OD2 2.94Å; T275-Q279 WeakPolarHBondContact O-CG 3.42Å; T275-Q279 PolarHBondContact O-N 3.13Å; T275-Q279 VanDerWaalsContact O-N 3.14Å
276	E	97.6	Very high	95.2	Very high	96 Å²	96	52.5 Å²	52.5	45%	0.449	29%	0.293	S	S	.	.	H	α-helix	trans	-57.2	-32.6	172.3	64	-175.6	146.1	0	0	112.7	D278 Q279 E280 K312	E276-D278 VanDerWaalsContact C-N 3.35Å; E276-Q279 WeakPolarHBondContact O-CB 3.41Å; E276-Q279 PolarHBondContact O-N 3.35Å; E276-E280 PolarHBondContact O-N 3.05Å; E276-K312 WeakPolarHBondContact OE1-CD 3.35Å; E276-K312 WeakPolarHBondContact OE1-CE 3.45Å; E276-K312 IonicContact OE1-NZ 3.96Å; E276-K312 PolarHBondContact OE1-NZ 2.64Å; E276-K312 IonicContact OE2-NZ 3.61Å; E276-K312 PolarHBondContact OE2-NZ 2.83Å
277	F	98.1	Very high	94.5	Very high	8 Å²	8	52.7 Å²	52.7	4%	0.035	29%	0.294	C	S	.	.	H	α-helix	trans	-67.4	-37.5	176.5	-52	-73.7	0	0	0	111.7	Y25 L26 M29 T275 Q279 E280 I281 L305 L308 I309 K312	Y25-F277 HydrophobicContact CE1-CZ 4.18Å; L26-F277 HydrophobicContact CD2-CE2 4Å; M29-F277 HydrophobicContact CE-CB 4.05Å; M29-F277 HydrophobicContact CE-CD2 3.41Å; M29-F277 VanDerWaalsContact CE-CD2 3.41Å; M29-F277 HydrophobicContact CE-CE2 4.19Å; M29-F277 HydrophobicContact CE-CG 4.07Å; T275-F277 PolarHBondContact O-N 3.19Å; T275-F277 PolarHBondContact OG1-N 3.18Å; F277-Q279 PolarHBondContact O-N 2.81Å; F277-E280 PolarHBondContact O-N 2.96Å; F277-I281 WeakPolarHBondContact O-CG2 3.32Å; F277-I281 PolarHBondContact O-N 2.84Å; F277-L305 HydrophobicContact CB-CD2 4.05Å; F277-L308 HydrophobicContact CD1-CB 4.1Å; F277-I309 HydrophobicContact CD1-CB 4.49Å; F277-I309 HydrophobicContact CD1-CG1 3.74Å; F277-I309 HydrophobicContact CD2-CG1 3.94Å; F277-I309 HydrophobicContact CE1-CB 4.17Å; F277-I309 HydrophobicContact CE1-CG1 3.75Å; F277-I309 HydrophobicContact CE2-CG1 3.92Å; F277-I309 HydrophobicContact CG-CG1 3.82Å; F277-I309 HydrophobicContact CZ-CB 4.33Å; F277-I309 HydrophobicContact CZ-CG1 3.81Å; F277-I309 HydrophobicContact CZ-CG2 4.48Å; F277-K312 HydrophobicContact CE1-CB 3.82Å; F277-K312 HydrophobicContact CE1-CD 3.53Å; F277-K312 HydrophobicContact CE1-CG 4.32Å; F277-K312 HydrophobicContact CZ-CB 4.39Å; F277-K312 HydrophobicContact CZ-CD 3.56Å
278	D	98.1	Very high	94.4	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-71.1	-23	176.1	-55.1	-60.5	0	0	0	112.1	R274 T275 E276 I281 D282 M296 L305 R381	R274-D278 HydrophobicContact CB-CB 4.26Å; R274-D278 HydrophobicContact CG-CB 4.43Å; R274-D278 PolarHBondContact NH2-O 2.86Å; T275-D278 WeakPolarHBondContact CB-OD2 3.31Å; T275-D278 PolarHBondContact N-OD2 3.38Å; T275-D278 WeakPolarHBondContact O-CB 3.49Å; T275-D278 PolarHBondContact O-N 3.18Å; T275-D278 VanDerWaalsContact O-N 3.08Å; T275-D278 PolarHBondContact OG1-N 2.96Å; T275-D278 PolarHBondContact OG1-OD2 2.94Å; E276-D278 VanDerWaalsContact C-N 3.35Å; D278-I281 WeakPolarHBondContact O-CG2 3.48Å; D278-D282 VanDerWaalsContact O-CB 3.26Å; D278-D282 WeakPolarHBondContact O-CB 3.03Å; D278-M296 HydrophobicContact CB-CG 4.44Å; D278-L305 WeakPolarHBondContact OD1-CD2 3.38Å; D278-R381 IonicContact OD1-CZ 2.74Å; D278-R381 IonicContact OD1-NH1 3.64Å; D278-R381 PolarHBondContact OD1-NH1 3.27Å; D278-R381 IonicContact OD1-NH2 3.76Å; D278-R381 PolarHBondContact OD1-NH2 3.1Å; D278-R381 IonicContact OD2-CZ 2.82Å; D278-R381 IonicContact OD2-NH1 3.81Å; D278-R381 PolarHBondContact OD2-NH1 3.42Å; D278-R381 IonicContact OD2-NH2 3.33Å
279	Q	97.4	Very high	94.3	Very high	89 Å²	89	52.9 Å²	52.9	42%	0.416	30%	0.301	S	S	.	.	H	α-helix	trans	-82	-42	173.8	-65.7	170.1	-1.8	0	0	110.9	T275 E276 F277 D282 M283	T275-Q279 WeakPolarHBondContact O-CG 3.42Å; T275-Q279 PolarHBondContact O-N 3.13Å; T275-Q279 VanDerWaalsContact O-N 3.14Å; E276-Q279 WeakPolarHBondContact O-CB 3.41Å; E276-Q279 PolarHBondContact O-N 3.35Å; F277-Q279 PolarHBondContact O-N 2.81Å; Q279-D282 PolarHBondContact O-N 2.93Å; Q279-M283 WeakPolarHBondContact O-CG 3.37Å; Q279-M283 PolarHBondContact O-N 3.13Å
280	E	97	Very high	94.2	Very high	93 Å²	93	56.9 Å²	56.9	44%	0.435	31%	0.314	S	S	.	.	H	α-helix	trans	-64.6	-45.2	178	-172.9	171.8	178.6	0	0	112.1	E276 F277 D282 M283 G284 L308	E276-E280 PolarHBondContact O-N 3.05Å; F277-E280 PolarHBondContact O-N 2.96Å; E280-D282 VanDerWaalsContact C-N 3.26Å; E280-D282 PolarHBondContact O-N 2.79Å; E280-M283 HydrophobicContact CB-CE 4.48Å; E280-M283 PolarHBondContact O-N 3.26Å; E280-G284 PolarHBondContact O-N 3.3Å; E280-G284 VanDerWaalsContact O-N 3.11Å; E280-L308 HydrophobicContact CB-CD1 4.22Å; E280-L308 HydrophobicContact CG-CD1 4.22Å; E280-L308 HydrophobicContact CG-CD2 4.06Å
281	I	95.9	Very high	93.9	Very high	12 Å²	12	57.9 Å²	57.9	6%	0.062	32%	0.319	C	S	.	.	H	α-helix	trans	-63.7	-33.7	176.1	-163.5	168.5	0	0	0	112.5	F277 D278 S285 Y301 E304 L305 L308	F277-I281 WeakPolarHBondContact O-CG2 3.32Å; F277-I281 PolarHBondContact O-N 2.84Å; D278-I281 WeakPolarHBondContact O-CG2 3.48Å; I281-S285 WeakPolarHBondContact O-CB 3.15Å; I281-S285 PolarHBondContact O-N 2.92Å; I281-Y301 HydrophobicContact CD1-CD1 4.01Å; I281-Y301 HydrophobicContact CD1-CG 4.31Å; I281-Y301 WeakPolarHBondContact CD1-O 3.24Å; I281-Y301 HydrophobicContact CG1-CD1 4.33Å; I281-E304 HydrophobicContact CD1-CB 3.79Å; I281-E304 HydrophobicContact CD1-CG 3.84Å; I281-E304 HydrophobicContact CG1-CG 4.04Å; I281-L305 HydrophobicContact CB-CD2 4.37Å; I281-L305 HydrophobicContact CD1-CD2 4.24Å; I281-L305 HydrophobicContact CD1-CG 3.82Å; I281-L305 HydrophobicContact CG2-CD2 3.96Å; I281-L308 HydrophobicContact CB-CD1 3.92Å
282	D	96.3	Very high	94	Very high	15 Å²	15	54.2 Å²	54.2	8%	0.08	30%	0.299	C	S	.	.	H	α-helix	trans	-69.5	-44.9	178.2	176.2	42	0	0	0	111.4	R274 D278 Q279 E280 G284 S285 P288 G289 L292 K295	R274-D282 IonicContact NH2-OD2 3.62Å; R274-D282 PolarHBondContact NH2-OD2 3.01Å; R274-D282 VanDerWaalsContact NH2-OD2 3.14Å; D278-D282 VanDerWaalsContact O-CB 3.26Å; D278-D282 WeakPolarHBondContact O-CB 3.03Å; Q279-D282 PolarHBondContact O-N 2.93Å; E280-D282 VanDerWaalsContact C-N 3.26Å; E280-D282 PolarHBondContact O-N 2.79Å; D282-G284 VanDerWaalsContact C-N 3.26Å; D282-G284 PolarHBondContact O-N 3.14Å; D282-S285 PolarHBondContact O-N 2.91Å; D282-S285 PolarHBondContact O-OG 3.5Å; D282-P288 WeakPolarHBondContact O-CA 3.39Å; D282-P288 WeakPolarHBondContact OD1-CA 3.36Å; D282-G289 PolarHBondContact OD1-N 3.48Å; D282-G289 PolarHBondContact OD2-N 3.32Å; D282-L292 HydrophobicContact CB-CD2 4.21Å; D282-L292 WeakPolarHBondContact OD1-CD2 3.31Å; D282-L292 VanDerWaalsContact OD2-CD2 3.3Å; D282-L292 WeakPolarHBondContact OD2-CD2 3.43Å; D282-K295 HydrophobicContact CB-CD 4.27Å; D282-K295 IonicContact OD1-NZ 2.76Å; D282-K295 PolarHBondContact OD1-NZ 2.74Å
283	M	95.1	Very high	94.1	Very high	136 Å²	136	49.3 Å²	49.3	67%	0.67	27%	0.273	S	S	*	.	H	α-helix	trans	-61.1	-34.7	175.1	-72	-173.8	-66.4	0	0	112.7	Q279 E280	Q279-M283 WeakPolarHBondContact O-CG 3.37Å; Q279-M283 PolarHBondContact O-N 3.13Å; E280-M283 HydrophobicContact CB-CE 4.48Å; E280-M283 PolarHBondContact O-N 3.26Å
284	G	88.8	Confident	94.1	Very high	69 Å²	69	49.2 Å²	49.2	71%	0.711	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-2.2	178.5	0	0	0	0	0	115.2	E280 D282	E280-G284 PolarHBondContact O-N 3.3Å; E280-G284 VanDerWaalsContact O-N 3.11Å; D282-G284 VanDerWaalsContact C-N 3.26Å; D282-G284 PolarHBondContact O-N 3.14Å
285	S	89.2	Confident	94	Very high	24 Å²	24	47.9 Å²	47.9	17%	0.168	27%	0.267	C	S	.	.	S	Bend	trans	-85	168.6	-175.2	99.5	0	0	0	0	113	I281 D282 N287 P288 K295	I281-S285 WeakPolarHBondContact O-CB 3.15Å; I281-S285 PolarHBondContact O-N 2.92Å; D282-S285 PolarHBondContact O-N 2.91Å; D282-S285 PolarHBondContact O-OG 3.5Å; S285-N287 PolarHBondContact O-N 3.06Å; S285-N287 PolarHBondContact OG-N 3.14Å; S285-N287 PolarHBondContact OG-O 3.22Å; S285-N287 PolarHBondContact OG-OD1 2.87Å; S285-P288 WeakPolarHBondContact O-CD 3.3Å; S285-K295 WeakPolarHBondContact OG-CE 3.38Å; S285-K295 PolarHBondContact OG-NZ 3.17Å
286	L	82.7	Confident	94	Very high	132 Å²	132	47.1 Å²	47.1	69%	0.691	26%	0.262	S	S	*	.	S	Bend	trans	-66.8	-15	174.5	-66.5	174.6	0	0	0	113.7
287	N	81.9	Confident	94	Very high	38 Å²	38	42.5 Å²	42.5	20%	0.203	24%	0.241	C	C	.	.	S	Bend	trans	-141.8	66.6	-172.5	61.5	-23.1	0	0	0	111.4	S285 K290 Q291 K295	S285-N287 PolarHBondContact O-N 3.06Å; S285-N287 PolarHBondContact OG-N 3.14Å; S285-N287 PolarHBondContact OG-O 3.22Å; S285-N287 PolarHBondContact OG-OD1 2.87Å; N287-K290 HydrophobicContact CB-CB 4.23Å; N287-K290 PolarHBondContact O-N 2.85Å; N287-Q291 WeakPolarHBondContact ND2-CG 3.14Å; N287-K295 PolarHBondContact O-NZ 2.87Å; N287-K295 PolarHBondContact OD1-NZ 3.35Å
288	P	93	Very high	93.8	Very high	77 Å²	77	42.1 Å²	42.1	50%	0.5	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	139.4	-179.6	-23.8	35.5	0	0	0	112.5	D282 S285 K290	D282-P288 WeakPolarHBondContact O-CA 3.39Å; D282-P288 WeakPolarHBondContact OD1-CA 3.36Å; S285-P288 WeakPolarHBondContact O-CD 3.3Å; P288-K290 PolarHBondContact O-N 2.89Å
289	G	94	Very high	93.5	Very high	32 Å²	32	42.7 Å²	42.7	33%	0.33	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	10.9	-178.6	0	0	0	0	0	114.5	D282	D282-G289 PolarHBondContact OD1-N 3.48Å; D282-G289 PolarHBondContact OD2-N 3.32Å
290	K	92.2	Very high	93.2	Very high	117 Å²	117	42.2 Å²	42.2	51%	0.509	24%	0.244	S	C	.	.	S	Bend	trans	-126.8	155	178.5	-61.2	-63.5	176.2	-167.2	0	111.9	D266 N287 P288 L292 K295	D266-K290 VanDerWaalsContact OD2-CA 3.3Å; D266-K290 WeakPolarHBondContact OD2-CA 3.21Å; N287-K290 HydrophobicContact CB-CB 4.23Å; N287-K290 PolarHBondContact O-N 2.85Å; P288-K290 PolarHBondContact O-N 2.89Å; K290-L292 PolarHBondContact O-N 3.34Å; K290-K295 WeakPolarHBondContact O-CE 3.42Å; K290-K295 PolarHBondContact O-NZ 3.2Å
291	Q	92.5	Very high	93.1	Very high	22 Å²	22	38.5 Å²	38.5	10%	0.103	23%	0.226	C	C	.	.	S	Bend	trans	56.4	37.5	176.9	-58.2	-63.9	108.1	0	0	112.4	G262 D266 N287 F293 E294 K295	G262-Q291 CarbonylContact O-C 3.11Å; G262-Q291 WeakPolarHBondContact O-CA 3.25Å; D266-Q291 PolarHBondContact OD1-N 3.04Å; D266-Q291 PolarHBondContact OD2-N 3.48Å; D266-Q291 VanDerWaalsContact OD2-N 3.08Å; N287-Q291 WeakPolarHBondContact ND2-CG 3.14Å; Q291-F293 VanDerWaalsContact C-N 3.33Å; Q291-F293 PolarHBondContact O-N 3.27Å; Q291-E294 HydrophobicContact CB-CB 4.18Å; Q291-E294 PolarHBondContact NE2-OE1 2.75Å; Q291-E294 VanDerWaalsContact NE2-OE1 3.1Å; Q291-E294 PolarHBondContact O-N 3.09Å; Q291-K295 WeakPolarHBondContact O-CG 3.44Å; Q291-K295 PolarHBondContact O-N 3.38Å
292	L	97	Very high	93.1	Very high	8 Å²	8	37.9 Å²	37.9	4%	0.042	22%	0.223	C	C	.	.	H	α-helix	trans	-63.9	-37.2	-170.4	-64.7	-175.4	0	0	0	112.9	G262 G265 D266 D282 K290 K295	G262-L292 PolarHBondContact O-N 3.45Å; G265-L292 WeakPolarHBondContact O-CD1 3.47Å; D266-L292 WeakPolarHBondContact OD1-CG 3.11Å; D266-L292 PolarHBondContact OD1-N 3.43Å; D282-L292 HydrophobicContact CB-CD2 4.21Å; D282-L292 WeakPolarHBondContact OD1-CD2 3.31Å; D282-L292 VanDerWaalsContact OD2-CD2 3.3Å; D282-L292 WeakPolarHBondContact OD2-CD2 3.43Å; K290-L292 PolarHBondContact O-N 3.34Å; L292-K295 HydrophobicContact CD2-CD 4.45Å
293	F	97.9	Very high	93.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-70.4	-41.3	175.6	-173.8	-112.8	0	0	0	112.3	W261 G262 F264 L270 Q291 K295 M296 I297 L385 T389	W261-F293 WeakPolarHBondContact O-CD1 2.98Å; G262-F293 WeakPolarHBondContact O-CB 3.11Å; G262-F293 PolarHBondContact O-N 3.32Å; G262-F293 VanDerWaalsContact O-N 3.15Å; F264-F293 HydrophobicContact CB-CB 3.85Å; F264-F293 HydrophobicContact CB-CD1 4.31Å; F264-F293 HydrophobicContact CB-CG 4.07Å; F264-F293 HydrophobicContact CD1-CD1 4.39Å; F264-F293 AromaticContact CD1-CD2 3.86Å; F264-F293 HydrophobicContact CD1-CD2 3.86Å; F264-F293 HydrophobicContact CD1-CE2 4.02Å; F264-F293 HydrophobicContact CD1-CG 4.05Å; F264-F293 HydrophobicContact CD1-CZ 4.36Å; F264-F293 HydrophobicContact CE1-CE2 4.46Å; F264-F293 WeakPolarHBondContact O-CB 3.38Å; F264-F293 PolarHBondContact O-N 2.63Å; L270-F293 HydrophobicContact CD1-CB 4.26Å; L270-F293 HydrophobicContact CD1-CD2 3.71Å; L270-F293 HydrophobicContact CD1-CG 4.41Å; Q291-F293 VanDerWaalsContact C-N 3.33Å; Q291-F293 PolarHBondContact O-N 3.27Å; F293-K295 VanDerWaalsContact C-N 3.27Å; F293-K295 PolarHBondContact O-N 2.72Å; F293-M296 HydrophobicContact CD2-CE 4.05Å; F293-M296 PolarHBondContact O-N 3.27Å; F293-M296 VanDerWaalsContact O-N 3.12Å; F293-I297 HydrophobicContact CD1-CD1 3.71Å; F293-I297 HydrophobicContact CD2-CD1 4.22Å; F293-I297 HydrophobicContact CE1-CD1 3.27Å; F293-I297 HydrophobicContact CE2-CD1 3.85Å; F293-I297 HydrophobicContact CG-CD1 4.16Å; F293-I297 HydrophobicContact CZ-CD1 3.33Å; F293-L385 HydrophobicContact CE2-CB 3.91Å; F293-L385 HydrophobicContact CE2-CD2 4.2Å; F293-L385 HydrophobicContact CE2-CG 4.46Å; F293-L385 HydrophobicContact CZ-CB 4.11Å; F293-T389 HydrophobicContact CE1-CG2 3.66Å; F293-T389 HydrophobicContact CE2-CG2 4.18Å; F293-T389 HydrophobicContact CZ-CG2 3.31Å
294	E	96.1	Very high	93.2	Very high	12 Å²	12	31.9 Å²	31.9	6%	0.056	19%	0.193	C	C	.	.	H	α-helix	trans	-60.6	-36.5	175.5	176.5	174.1	66	0	0	112.3	G233 S234 G262 Q291 M296 I297 S298 Y301	G233-E294 WeakPolarHBondContact CA-OE2 3.14Å; S234-E294 PolarHBondContact N-OE2 2.74Å; G262-E294 PolarHBondContact O-N 2.88Å; G262-E294 VanDerWaalsContact O-N 3.11Å; Q291-E294 HydrophobicContact CB-CB 4.18Å; Q291-E294 PolarHBondContact NE2-OE1 2.75Å; Q291-E294 VanDerWaalsContact NE2-OE1 3.1Å; Q291-E294 PolarHBondContact O-N 3.09Å; E294-M296 PolarHBondContact O-N 2.91Å; E294-I297 PolarHBondContact O-N 2.88Å; E294-I297 VanDerWaalsContact O-N 3.1Å; E294-S298 WeakPolarHBondContact CG-OG 3.35Å; E294-S298 PolarHBondContact O-N 2.82Å; E294-S298 PolarHBondContact O-OG 3.41Å; E294-Y301 HydrophobicContact CG-CE2 4.17Å
295	K	96.4	Very high	93.7	Very high	3 Å²	3	28.6 Å²	28.6	1%	0.013	16%	0.16	C	C	.	.	H	α-helix	trans	-63.4	-26.2	176	-76.9	165.7	172.6	163.7	0	113.9	D282 S285 N287 K290 Q291 L292 F293 Y301	D282-K295 HydrophobicContact CB-CD 4.27Å; D282-K295 IonicContact OD1-NZ 2.76Å; D282-K295 PolarHBondContact OD1-NZ 2.74Å; S285-K295 WeakPolarHBondContact OG-CE 3.38Å; S285-K295 PolarHBondContact OG-NZ 3.17Å; N287-K295 PolarHBondContact O-NZ 2.87Å; N287-K295 PolarHBondContact OD1-NZ 3.35Å; K290-K295 WeakPolarHBondContact O-CE 3.42Å; K290-K295 PolarHBondContact O-NZ 3.2Å; Q291-K295 WeakPolarHBondContact O-CG 3.44Å; Q291-K295 PolarHBondContact O-N 3.38Å; L292-K295 HydrophobicContact CD2-CD 4.45Å; F293-K295 VanDerWaalsContact C-N 3.27Å; F293-K295 PolarHBondContact O-N 2.72Å; K295-Y301 HydrophobicContact CB-CD2 4.3Å; K295-Y301 HydrophobicContact CB-CG 4.28Å; K295-Y301 HydrophobicContact CG-CD1 3.94Å; K295-Y301 HydrophobicContact CG-CD2 4.03Å; K295-Y301 HydrophobicContact CG-CE1 3.79Å; K295-Y301 HydrophobicContact CG-CE2 3.88Å; K295-Y301 HydrophobicContact CG-CG 4.05Å; K295-Y301 VanDerWaalsContact O-CB 3.25Å; K295-Y301 WeakPolarHBondContact O-CB 3.41Å
296	M	97.9	Very high	94.1	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-8.9	175.4	-64.6	-173.7	-72.8	0	0	113.6	L270 I273 R274 D278 F293 E294 L385	L270-M296 HydrophobicContact CD1-CE 4.04Å; I273-M296 HydrophobicContact CD1-CE 4.31Å; R274-M296 HydrophobicContact CG-CE 4.23Å; R274-M296 HydrophobicContact CG-SD 3.87Å; D278-M296 HydrophobicContact CB-CG 4.44Å; F293-M296 HydrophobicContact CD2-CE 4.05Å; F293-M296 PolarHBondContact O-N 3.27Å; F293-M296 VanDerWaalsContact O-N 3.12Å; E294-M296 PolarHBondContact O-N 2.91Å; M296-L385 HydrophobicContact CB-CD1 3.78Å; M296-L385 HydrophobicContact CE-CD1 4.45Å; M296-L385 HydrophobicContact SD-CD1 4.34Å
297	I	96.5	Very high	94.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-51.7	-169	-65	175.5	0	0	0	113.1	V230 F293 E294 M302 S382 L385	V230-I297 HydrophobicContact CG1-CG2 4.21Å; F293-I297 HydrophobicContact CD1-CD1 3.71Å; F293-I297 HydrophobicContact CD2-CD1 4.22Å; F293-I297 HydrophobicContact CE1-CD1 3.27Å; F293-I297 HydrophobicContact CE2-CD1 3.85Å; F293-I297 HydrophobicContact CG-CD1 4.16Å; F293-I297 HydrophobicContact CZ-CD1 3.33Å; E294-I297 PolarHBondContact O-N 2.88Å; E294-I297 VanDerWaalsContact O-N 3.1Å; I297-M302 VanDerWaalsContact O-SD 3.41Å; I297-S382 VanDerWaalsContact C-OG 3.32Å; I297-S382 WeakPolarHBondContact CA-OG 3.47Å; I297-S382 WeakPolarHBondContact CG2-OG 3.42Å; I297-S382 PolarHBondContact O-OG 2.9Å; I297-L385 HydrophobicContact CD1-CB 3.86Å; I297-L385 HydrophobicContact CG1-CB 4.02Å; I297-L385 HydrophobicContact CG1-CD1 4.31Å
298	S	93.6	Very high	95.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-79.6	161.6	-159.3	65.2	0	0	0	0	114.1	T232 E294 M300 Y301 M302	T232-S298 WeakPolarHBondContact O-CB 3.32Å; T232-S298 PolarHBondContact O-OG 2.88Å; E294-S298 WeakPolarHBondContact CG-OG 3.35Å; E294-S298 PolarHBondContact O-N 2.82Å; E294-S298 PolarHBondContact O-OG 3.41Å; S298-M300 PolarHBondContact O-N 2.82Å; S298-Y301 PolarHBondContact O-N 2.82Å; S298-Y301 VanDerWaalsContact O-N 3.11Å; S298-Y301 WeakPolarHBondContact OG-CD2 3.48Å; S298-Y301 WeakPolarHBondContact OG-CE2 3.42Å; S298-M302 PolarHBondContact O-N 3.28Å
299	G	92.6	Very high	95.9	Very high	15 Å²	15	16.5 Å²	16.5	16%	0.155	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-15.6	-173.9	0	0	0	0	0	114.8	G231 Y301 T336 V416	G231-G299 WeakPolarHBondContact O-CA 3.44Å; G231-G299 PolarHBondContact O-N 2.91Å; G299-Y301 VanDerWaalsContact C-N 3.27Å; G299-T336 VanDerWaalsContact O-CB 3.29Å; G299-T336 WeakPolarHBondContact O-CB 3.26Å; G299-T336 PolarHBondContact O-OG1 3.11Å; G299-V416 VanDerWaalsContact CA-CG2 3.41Å
300	M	90.4	Very high	96.1	Very high	80 Å²	80	15 Å²	15	39%	0.394	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-27.8	171.9	-178	168.5	176.3	0	0	112.5	T232 S298	T232-M300 HydrophobicContact CG2-CB 4.1Å; T232-M300 HydrophobicContact CG2-SD 4.4Å; T232-M300 WeakPolarHBondContact O-CB 3.43Å; T232-M300 PolarHBondContact O-N 3.16Å; S298-M300 PolarHBondContact O-N 2.82Å
301	Y	94.9	Very high	96.4	Very high	14 Å²	14	9.8 Å²	9.8	6%	0.055	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-26.9	-167	-55	-73.9	0	0	0	114.3	I281 E294 K295 S298 G299 G303 E304 L305	I281-Y301 HydrophobicContact CD1-CD1 4.01Å; I281-Y301 HydrophobicContact CD1-CG 4.31Å; I281-Y301 WeakPolarHBondContact CD1-O 3.24Å; I281-Y301 HydrophobicContact CG1-CD1 4.33Å; E294-Y301 HydrophobicContact CG-CE2 4.17Å; K295-Y301 HydrophobicContact CB-CD2 4.3Å; K295-Y301 HydrophobicContact CB-CG 4.28Å; K295-Y301 HydrophobicContact CG-CD1 3.94Å; K295-Y301 HydrophobicContact CG-CD2 4.03Å; K295-Y301 HydrophobicContact CG-CE1 3.79Å; K295-Y301 HydrophobicContact CG-CE2 3.88Å; K295-Y301 HydrophobicContact CG-CG 4.05Å; K295-Y301 VanDerWaalsContact O-CB 3.25Å; K295-Y301 WeakPolarHBondContact O-CB 3.41Å; S298-Y301 PolarHBondContact O-N 2.82Å; S298-Y301 VanDerWaalsContact O-N 3.11Å; S298-Y301 WeakPolarHBondContact OG-CD2 3.48Å; S298-Y301 WeakPolarHBondContact OG-CE2 3.42Å; G299-Y301 VanDerWaalsContact C-N 3.27Å; Y301-G303 PolarHBondContact O-N 2.83Å; Y301-E304 PolarHBondContact O-N 2.97Å; Y301-E304 VanDerWaalsContact O-N 3.15Å; Y301-L305 PolarHBondContact O-N 2.92Å
302	M	96.2	Very high	96.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-57.7	-43.5	-176.3	-73.6	-169.7	-71.1	0	0	113.6	I297 S298 E304 L305 V306 T336 I339 V378 V416	I297-M302 VanDerWaalsContact O-SD 3.41Å; S298-M302 PolarHBondContact O-N 3.28Å; M302-E304 VanDerWaalsContact C-N 3.35Å; M302-E304 PolarHBondContact O-N 3.37Å; M302-L305 WeakPolarHBondContact O-CB 3.42Å; M302-L305 PolarHBondContact O-N 3.45Å; M302-V306 PolarHBondContact O-N 3.41Å; M302-V306 VanDerWaalsContact O-N 3.07Å; M302-T336 HydrophobicContact CB-CG2 4.47Å; M302-T336 HydrophobicContact CE-CG2 3.62Å; M302-I339 HydrophobicContact CB-CD1 3.77Å; M302-V378 HydrophobicContact CB-CG1 4.25Å; M302-V378 HydrophobicContact CG-CG1 4.27Å; M302-V416 HydrophobicContact CE-CB 4.23Å; M302-V416 HydrophobicContact CE-CG1 3.5Å; M302-V416 HydrophobicContact CE-CG2 3.64Å
303	G	97.1	Very high	96.7	Very high	2 Å²	2	11 Å²	11	2%	0.021	6%	0.056	C	C	.	.	H	α-helix	trans	-59.1	-44.6	176.6	0	0	0	0	0	112.9	Y301 V306 R307 F334 T336	Y301-G303 PolarHBondContact O-N 2.83Å; G303-V306 PolarHBondContact O-N 2.96Å; G303-R307 PolarHBondContact O-N 2.66Å; G303-F334 CarbonylContact C-O 3.59Å; G303-F334 VanDerWaalsContact CA-O 3.31Å; G303-F334 WeakPolarHBondContact CA-O 3.19Å; G303-F334 WeakPolarHBondContact O-CD1 3.44Å; G303-T336 PolarHBondContact N-OG1 3.43Å; G303-T336 VanDerWaalsContact N-OG1 3.15Å
304	E	97.3	Very high	96.6	Very high	22 Å²	22	11 Å²	11	10%	0.103	6%	0.056	C	C	.	.	H	α-helix	trans	-69.1	-36.5	179	-177.8	62.3	-171.7	0	0	111.9	I281 Y301 M302 V306 R307 L308 G332	I281-E304 HydrophobicContact CD1-CB 3.79Å; I281-E304 HydrophobicContact CD1-CG 3.84Å; I281-E304 HydrophobicContact CG1-CG 4.04Å; Y301-E304 PolarHBondContact O-N 2.97Å; Y301-E304 VanDerWaalsContact O-N 3.15Å; M302-E304 VanDerWaalsContact C-N 3.35Å; M302-E304 PolarHBondContact O-N 3.37Å; E304-V306 VanDerWaalsContact C-N 3.33Å; E304-V306 PolarHBondContact O-N 2.92Å; E304-R307 WeakPolarHBondContact O-CB 3.29Å; E304-R307 PolarHBondContact O-N 2.66Å; E304-R307 IonicContact OE1-CZ 3.67Å; E304-R307 VanDerWaalsContact OE1-CZ 3.24Å; E304-R307 IonicContact OE1-NE 3.28Å; E304-R307 PolarHBondContact OE1-NE 3.11Å; E304-R307 IonicContact OE1-NH2 3.27Å; E304-R307 PolarHBondContact OE1-NH2 2.83Å; E304-R307 WeakPolarHBondContact OE2-CD 3.36Å; E304-R307 IonicContact OE2-CZ 3.53Å; E304-R307 IonicContact OE2-NE 3.87Å; E304-R307 PolarHBondContact OE2-NE 3.32Å; E304-L308 HydrophobicContact CG-CD1 4.45Å; E304-L308 WeakPolarHBondContact O-CG 3.45Å; E304-L308 PolarHBondContact O-N 3.34Å; E304-G332 PolarHBondContact OE2-N 3.17Å
305	L	97.9	Very high	96.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-57.7	-45.4	171.2	-80.2	170.7	0	0	0	111.5	F277 D278 I281 Y301 M302 L308 I309 V378	F277-L305 HydrophobicContact CB-CD2 4.05Å; D278-L305 WeakPolarHBondContact OD1-CD2 3.38Å; I281-L305 HydrophobicContact CB-CD2 4.37Å; I281-L305 HydrophobicContact CD1-CD2 4.24Å; I281-L305 HydrophobicContact CD1-CG 3.82Å; I281-L305 HydrophobicContact CG2-CD2 3.96Å; Y301-L305 PolarHBondContact O-N 2.92Å; M302-L305 WeakPolarHBondContact O-CB 3.42Å; M302-L305 PolarHBondContact O-N 3.45Å; L305-L308 PolarHBondContact O-N 3.4Å; L305-I309 WeakPolarHBondContact O-CD1 3.48Å; L305-I309 VanDerWaalsContact O-CG1 3.29Å; L305-I309 WeakPolarHBondContact O-CG1 3.41Å; L305-I309 PolarHBondContact O-N 2.8Å; L305-I309 VanDerWaalsContact O-N 3.13Å; L305-V378 HydrophobicContact CB-CG1 4.35Å
306	V	98.4	Very high	96.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.8	-45.1	175.3	173.1	0	0	0	0	110.6	M302 G303 E304 L308 I309 L310 F334 I339 I374 V378	M302-V306 PolarHBondContact O-N 3.41Å; M302-V306 VanDerWaalsContact O-N 3.07Å; G303-V306 PolarHBondContact O-N 2.96Å; E304-V306 VanDerWaalsContact C-N 3.33Å; E304-V306 PolarHBondContact O-N 2.92Å; V306-L308 VanDerWaalsContact C-N 3.33Å; V306-L308 PolarHBondContact O-N 3.31Å; V306-I309 PolarHBondContact O-N 3.27Å; V306-L310 HydrophobicContact CG1-CD1 4.03Å; V306-L310 HydrophobicContact CG1-CG 4.22Å; V306-L310 VanDerWaalsContact O-CG 3.31Å; V306-L310 WeakPolarHBondContact O-CG 3.45Å; V306-L310 PolarHBondContact O-N 2.96Å; V306-F334 HydrophobicContact CB-CD1 4.08Å; V306-F334 HydrophobicContact CB-CE1 3.84Å; V306-F334 HydrophobicContact CB-CZ 4.42Å; V306-F334 HydrophobicContact CG1-CD1 4.04Å; V306-F334 HydrophobicContact CG1-CE1 3.52Å; V306-F334 HydrophobicContact CG1-CE2 4.17Å; V306-F334 HydrophobicContact CG1-CZ 3.6Å; V306-F334 HydrophobicContact CG2-CE1 4.46Å; V306-I339 HydrophobicContact CG2-CD1 3.7Å; V306-I339 HydrophobicContact CG2-CG1 4.13Å; V306-I374 HydrophobicContact CG1-CG2 4.07Å; V306-I374 HydrophobicContact CG2-CG2 4.37Å; V306-V378 HydrophobicContact CG2-CB 4Å; V306-V378 HydrophobicContact CG2-CG1 4.14Å; V306-V378 HydrophobicContact CG2-CG2 3.87Å
307	R	98.3	Very high	96.5	Very high	13 Å²	13	28 Å²	28	5%	0.049	13%	0.133	C	C	.	.	H	α-helix	trans	-56.1	-46.6	177.6	-164.2	-164.4	64.8	80.4	1.3	112.2	G303 E304 I309 L310 V311 L328 L329 N330 F334	G303-R307 PolarHBondContact O-N 2.66Å; E304-R307 WeakPolarHBondContact O-CB 3.29Å; E304-R307 PolarHBondContact O-N 2.66Å; E304-R307 IonicContact OE1-CZ 3.67Å; E304-R307 VanDerWaalsContact OE1-CZ 3.24Å; E304-R307 IonicContact OE1-NE 3.28Å; E304-R307 PolarHBondContact OE1-NE 3.11Å; E304-R307 IonicContact OE1-NH2 3.27Å; E304-R307 PolarHBondContact OE1-NH2 2.83Å; E304-R307 WeakPolarHBondContact OE2-CD 3.36Å; E304-R307 IonicContact OE2-CZ 3.53Å; E304-R307 IonicContact OE2-NE 3.87Å; E304-R307 PolarHBondContact OE2-NE 3.32Å; R307-I309 VanDerWaalsContact C-N 3.34Å; R307-I309 PolarHBondContact O-N 3.04Å; R307-L310 WeakPolarHBondContact O-CB 3.35Å; R307-L310 PolarHBondContact O-N 2.94Å; R307-V311 WeakPolarHBondContact O-CG2 3.38Å; R307-V311 PolarHBondContact O-N 3.42Å; R307-L328 WeakPolarHBondContact CD-O 3.49Å; R307-L328 HydrophobicContact CG-CD1 4.24Å; R307-L328 WeakPolarHBondContact CG-O 3.2Å; R307-L328 PolarHBondContact NH1-O 2.99Å; R307-L329 PolarHBondContact NH1-O 3.14Å; R307-N330 WeakPolarHBondContact CD-O 3.33Å; R307-F334 HydrophobicContact CB-CB 3.91Å; R307-F334 HydrophobicContact CG-CB 4.19Å
308	L	98.2	Very high	96.4	Very high	5 Å²	5	32 Å²	32	3%	0.026	15%	0.154	C	C	.	.	H	α-helix	trans	-62	-41.7	-180	-70.2	173.4	0	0	0	111.8	F277 E280 I281 E304 L305 V306 V311 K312	F277-L308 HydrophobicContact CD1-CB 4.1Å; E280-L308 HydrophobicContact CB-CD1 4.22Å; E280-L308 HydrophobicContact CG-CD1 4.22Å; E280-L308 HydrophobicContact CG-CD2 4.06Å; I281-L308 HydrophobicContact CB-CD1 3.92Å; E304-L308 HydrophobicContact CG-CD1 4.45Å; E304-L308 WeakPolarHBondContact O-CG 3.45Å; E304-L308 PolarHBondContact O-N 3.34Å; L305-L308 PolarHBondContact O-N 3.4Å; V306-L308 VanDerWaalsContact C-N 3.33Å; V306-L308 PolarHBondContact O-N 3.31Å; L308-V311 PolarHBondContact O-N 3.34Å; L308-K312 PolarHBondContact O-N 3.28Å
309	I	98.5	Very high	96.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.4	-48	173.5	-64.1	163.2	0	0	0	110.6	L26 M29 F277 L305 V306 R307 V311 K312 M313 I374 V378	L26-I309 HydrophobicContact CD1-CD1 4.28Å; L26-I309 HydrophobicContact CD1-CG2 4.17Å; L26-I309 HydrophobicContact CD2-CD1 4.14Å; L26-I309 HydrophobicContact CD2-CG1 4.26Å; L26-I309 HydrophobicContact CD2-CG2 3.97Å; M29-I309 HydrophobicContact CE-CD1 3.99Å; M29-I309 HydrophobicContact SD-CD1 3.94Å; F277-I309 HydrophobicContact CD1-CB 4.49Å; F277-I309 HydrophobicContact CD1-CG1 3.74Å; F277-I309 HydrophobicContact CD2-CG1 3.94Å; F277-I309 HydrophobicContact CE1-CB 4.17Å; F277-I309 HydrophobicContact CE1-CG1 3.75Å; F277-I309 HydrophobicContact CE2-CG1 3.92Å; F277-I309 HydrophobicContact CG-CG1 3.82Å; F277-I309 HydrophobicContact CZ-CB 4.33Å; F277-I309 HydrophobicContact CZ-CG1 3.81Å; F277-I309 HydrophobicContact CZ-CG2 4.48Å; L305-I309 WeakPolarHBondContact O-CD1 3.48Å; L305-I309 VanDerWaalsContact O-CG1 3.29Å; L305-I309 WeakPolarHBondContact O-CG1 3.41Å; L305-I309 PolarHBondContact O-N 2.8Å; L305-I309 VanDerWaalsContact O-N 3.13Å; V306-I309 PolarHBondContact O-N 3.27Å; R307-I309 VanDerWaalsContact C-N 3.34Å; R307-I309 PolarHBondContact O-N 3.04Å; I309-V311 VanDerWaalsContact C-N 3.33Å; I309-V311 PolarHBondContact O-N 2.9Å; I309-K312 PolarHBondContact O-N 3.4Å; I309-M313 HydrophobicContact CG2-CG 4.25Å; I309-M313 HydrophobicContact CG2-SD 3.79Å; I309-M313 WeakPolarHBondContact O-CB 3.45Å; I309-M313 WeakPolarHBondContact O-CG 3.47Å; I309-M313 PolarHBondContact O-N 2.89Å; I309-I374 HydrophobicContact CB-CG2 4.13Å; I309-I374 HydrophobicContact CD1-CG2 3.93Å; I309-I374 HydrophobicContact CG2-CD1 4.01Å; I309-I374 HydrophobicContact CG2-CG1 4.23Å; I309-I374 HydrophobicContact CG2-CG2 3.79Å; I309-V378 HydrophobicContact CD1-CG2 3.71Å
310	L	98.1	Very high	96.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.1	-42.1	178.6	-66.2	176.5	0	0	0	111.8	V306 R307 A314 L319 F320 L328 F334 L356 T371 I374	V306-L310 HydrophobicContact CG1-CD1 4.03Å; V306-L310 HydrophobicContact CG1-CG 4.22Å; V306-L310 VanDerWaalsContact O-CG 3.31Å; V306-L310 WeakPolarHBondContact O-CG 3.45Å; V306-L310 PolarHBondContact O-N 2.96Å; R307-L310 WeakPolarHBondContact O-CB 3.35Å; R307-L310 PolarHBondContact O-N 2.94Å; L310-A314 WeakPolarHBondContact O-CB 3.26Å; L310-A314 PolarHBondContact O-N 3.35Å; L310-L319 HydrophobicContact CD2-CD1 3.66Å; L310-F320 HydrophobicContact CB-CE2 4.4Å; L310-F320 HydrophobicContact CD2-CZ 4.14Å; L310-L328 HydrophobicContact CB-CD1 4.09Å; L310-F334 HydrophobicContact CD1-CD2 4.07Å; L310-F334 HydrophobicContact CD1-CE2 3.97Å; L310-L356 HydrophobicContact CD1-CD2 4.34Å; L310-T371 HydrophobicContact CD1-CG2 4.29Å; L310-T371 HydrophobicContact CD2-CG2 4.23Å; L310-I374 HydrophobicContact CD2-CD1 3.69Å
311	V	97.9	Very high	96.6	Very high	8 Å²	8	32 Å²	32	5%	0.048	17%	0.169	C	C	.	.	H	α-helix	trans	-62.2	-46	176.3	168.5	0	0	0	0	111.4	R307 L308 I309 A314 K315 L324 L328 L329	R307-V311 WeakPolarHBondContact O-CG2 3.38Å; R307-V311 PolarHBondContact O-N 3.42Å; L308-V311 PolarHBondContact O-N 3.34Å; I309-V311 VanDerWaalsContact C-N 3.33Å; I309-V311 PolarHBondContact O-N 2.9Å; V311-A314 PolarHBondContact O-N 3.16Å; V311-K315 HydrophobicContact CG1-CD 4.2Å; V311-K315 WeakPolarHBondContact O-CG 3.06Å; V311-K315 PolarHBondContact O-N 3.39Å; V311-L324 HydrophobicContact CG1-CD2 4.31Å; V311-L328 HydrophobicContact CG2-CD1 4.24Å; V311-L328 HydrophobicContact CG2-CD2 4.22Å; V311-L328 HydrophobicContact CG2-CG 3.77Å; V311-L329 HydrophobicContact CG1-CD2 4.02Å; V311-L329 HydrophobicContact CG2-CD2 4.32Å
312	K	97.9	Very high	96.5	Very high	50 Å²	50	32.6 Å²	32.6	22%	0.217	18%	0.18	C	C	.	.	H	α-helix	trans	-67.2	-47.7	-178.8	-170.1	-171.4	166.4	92.5	0	111.4	Y25 E276 F277 L308 I309 A314 K315 E316	Y25-K312 VanDerWaalsContact OH-CD 3.3Å; Y25-K312 WeakPolarHBondContact OH-CD 3.37Å; Y25-K312 WeakPolarHBondContact OH-CE 3.43Å; Y25-K312 WeakPolarHBondContact OH-CG 3.33Å; E276-K312 WeakPolarHBondContact OE1-CD 3.35Å; E276-K312 WeakPolarHBondContact OE1-CE 3.45Å; E276-K312 IonicContact OE1-NZ 3.96Å; E276-K312 PolarHBondContact OE1-NZ 2.64Å; E276-K312 IonicContact OE2-NZ 3.61Å; E276-K312 PolarHBondContact OE2-NZ 2.83Å; F277-K312 HydrophobicContact CE1-CB 3.82Å; F277-K312 HydrophobicContact CE1-CD 3.53Å; F277-K312 HydrophobicContact CE1-CG 4.32Å; F277-K312 HydrophobicContact CZ-CB 4.39Å; F277-K312 HydrophobicContact CZ-CD 3.56Å; L308-K312 PolarHBondContact O-N 3.28Å; I309-K312 PolarHBondContact O-N 3.4Å; K312-A314 VanDerWaalsContact C-N 3.27Å; K312-A314 PolarHBondContact O-N 3.27Å; K312-K315 WeakPolarHBondContact O-CB 3.35Å; K312-K315 PolarHBondContact O-N 3.44Å; K312-K315 VanDerWaalsContact O-N 3.1Å; K312-E316 WeakPolarHBondContact CE-OE1 3.04Å; K312-E316 IonicContact NZ-OE1 2.69Å; K312-E316 PolarHBondContact O-N 3.15Å
313	M	97.6	Very high	96.3	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.025	21%	0.21	C	C	.	.	H	α-helix	trans	-63	-34.1	177.3	-70.2	-175.5	73.8	0	0	112.3	V22 Y25 I309 E316 E317 L318 L319 I374	V22-M313 HydrophobicContact CG2-CE 4.28Å; Y25-M313 HydrophobicContact CD1-CE 4.38Å; Y25-M313 HydrophobicContact CD1-CG 3.87Å; Y25-M313 HydrophobicContact CD1-SD 3.89Å; Y25-M313 HydrophobicContact CE1-CG 3.44Å; Y25-M313 VanDerWaalsContact CE1-CG 3.44Å; Y25-M313 HydrophobicContact CE1-SD 4.07Å; Y25-M313 HydrophobicContact CG-CE 4.46Å; I309-M313 HydrophobicContact CG2-CG 4.25Å; I309-M313 HydrophobicContact CG2-SD 3.79Å; I309-M313 WeakPolarHBondContact O-CB 3.45Å; I309-M313 WeakPolarHBondContact O-CG 3.47Å; I309-M313 PolarHBondContact O-N 2.89Å; M313-E316 PolarHBondContact O-N 3.09Å; M313-E317 PolarHBondContact O-N 3.4Å; M313-L318 HydrophobicContact CB-CB 4.28Å; M313-L318 HydrophobicContact CE-CB 4.2Å; M313-L318 HydrophobicContact CE-CD1 4.38Å; M313-L318 WeakPolarHBondContact O-CB 3.41Å; M313-L318 PolarHBondContact O-N 3.02Å; M313-L319 HydrophobicContact CB-CB 4.5Å; M313-L319 HydrophobicContact CB-CD1 3.7Å; M313-L319 HydrophobicContact CB-CG 3.92Å; M313-L319 HydrophobicContact CE-CD1 4.31Å; M313-L319 HydrophobicContact CE-CG 4.24Å; M313-L319 PolarHBondContact O-N 2.93Å; M313-L319 HydrophobicContact SD-CD1 4.12Å; M313-I374 HydrophobicContact SD-CD1 3.66Å; M313-I374 HydrophobicContact SD-CG1 4.38Å
314	A	96.8	Very high	96.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66.9	-42.8	171.7	0	0	0	0	0	112.1	L310 V311 K312 E316 E317 F320 G322 L324	L310-A314 WeakPolarHBondContact O-CB 3.26Å; L310-A314 PolarHBondContact O-N 3.35Å; V311-A314 PolarHBondContact O-N 3.16Å; K312-A314 VanDerWaalsContact C-N 3.27Å; K312-A314 PolarHBondContact O-N 3.27Å; A314-E316 PolarHBondContact O-N 3.05Å; A314-E317 PolarHBondContact O-N 2.99Å; A314-F320 HydrophobicContact CB-CD2 3.81Å; A314-F320 HydrophobicContact CB-CE2 4.33Å; A314-G322 VanDerWaalsContact O-CA 3.3Å; A314-G322 WeakPolarHBondContact O-CA 3.43Å; A314-L324 HydrophobicContact CB-CD2 3.69Å
315	K	96.6	Very high	96.1	Very high	131 Å²	131	41.9 Å²	41.9	57%	0.57	22%	0.224	S	C	*	.	H	α-helix	trans	-59.8	-31.7	174.9	-77.2	171.6	179.2	175.4	0	113	V311 K312 E317 L324	V311-K315 HydrophobicContact CG1-CD 4.2Å; V311-K315 WeakPolarHBondContact O-CG 3.06Å; V311-K315 PolarHBondContact O-N 3.39Å; K312-K315 WeakPolarHBondContact O-CB 3.35Å; K312-K315 PolarHBondContact O-N 3.44Å; K312-K315 VanDerWaalsContact O-N 3.1Å; K315-E317 VanDerWaalsContact C-N 3.26Å; K315-L324 HydrophobicContact CG-CD1 3.72Å; K315-L324 HydrophobicContact CG-CD2 4.35Å
316	E	97.1	Very high	96	Very high	86 Å²	86	47 Å²	47	40%	0.402	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	11.4	178	-66.9	174	-173.3	0	0	112.9	Y25 K312 M313 A314 L318	Y25-E316 WeakPolarHBondContact CE2-OE2 3.31Å; Y25-E316 VanDerWaalsContact CZ-OE2 3.27Å; Y25-E316 VanDerWaalsContact OH-CD 3.22Å; Y25-E316 PolarHBondContact OH-OE1 3.35Å; Y25-E316 PolarHBondContact OH-OE2 3.07Å; K312-E316 WeakPolarHBondContact CE-OE1 3.04Å; K312-E316 IonicContact NZ-OE1 2.69Å; K312-E316 PolarHBondContact O-N 3.15Å; M313-E316 PolarHBondContact O-N 3.09Å; A314-E316 PolarHBondContact O-N 3.05Å; E316-L318 HydrophobicContact CB-CD1 4.25Å; E316-L318 HydrophobicContact CB-CG 4.16Å; E316-L318 PolarHBondContact O-N 3.48Å; E316-L318 VanDerWaalsContact O-N 3.13Å
317	E	94.7	Very high	95.9	Very high	157 Å²	157	50.5 Å²	50.5	73%	0.734	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	18.3	179.1	-55	-177.5	176.9	0	0	114.5	M313 A314 K315	M313-E317 PolarHBondContact O-N 3.4Å; A314-E317 PolarHBondContact O-N 2.99Å; K315-E317 VanDerWaalsContact C-N 3.26Å
318	L	93.7	Very high	95.7	Very high	83 Å²	83	49.9 Å²	49.9	44%	0.435	27%	0.271	S	S	.	.	S	Bend	trans	-84.1	-18.9	178.2	-60	176.3	0	0	0	113.1	Y25 M313 E316	Y25-L318 HydrophobicContact CD2-CD1 3.77Å; Y25-L318 HydrophobicContact CE2-CD1 3.6Å; M313-L318 HydrophobicContact CB-CB 4.28Å; M313-L318 HydrophobicContact CE-CB 4.2Å; M313-L318 HydrophobicContact CE-CD1 4.38Å; M313-L318 WeakPolarHBondContact O-CB 3.41Å; M313-L318 PolarHBondContact O-N 3.02Å; E316-L318 HydrophobicContact CB-CD1 4.25Å; E316-L318 HydrophobicContact CB-CG 4.16Å; E316-L318 PolarHBondContact O-N 3.48Å; E316-L318 VanDerWaalsContact O-N 3.13Å
319	L	94.4	Very high	95.6	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.016	29%	0.291	C	S	.	.	S	Bend	trans	-134.2	153	176.3	-66.3	177.7	0	0	0	111.1	L310 M313 G321 G322 D367 A370 I374	L310-L319 HydrophobicContact CD2-CD1 3.66Å; M313-L319 HydrophobicContact CB-CB 4.5Å; M313-L319 HydrophobicContact CB-CD1 3.7Å; M313-L319 HydrophobicContact CB-CG 3.92Å; M313-L319 HydrophobicContact CE-CD1 4.31Å; M313-L319 HydrophobicContact CE-CG 4.24Å; M313-L319 PolarHBondContact O-N 2.93Å; M313-L319 HydrophobicContact SD-CD1 4.12Å; L319-G321 PolarHBondContact O-N 3.4Å; L319-G322 PolarHBondContact O-N 3.26Å; L319-D367 WeakPolarHBondContact CA-OD1 3.34Å; L319-A370 HydrophobicContact CD2-CB 3.55Å; L319-I374 HydrophobicContact CD1-CD1 4.11Å
320	F	95.4	Very high	95.4	Very high	16 Å²	16	57.5 Å²	57.5	7%	0.07	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	55.4	22.4	170.7	-38.2	-55.4	0	0	0	114.5	L310 A314 G322 K323 L328 L356 L361 D367	L310-F320 HydrophobicContact CB-CE2 4.4Å; L310-F320 HydrophobicContact CD2-CZ 4.14Å; A314-F320 HydrophobicContact CB-CD2 3.81Å; A314-F320 HydrophobicContact CB-CE2 4.33Å; F320-G322 PolarHBondContact O-N 3.41Å; F320-K323 WeakPolarHBondContact O-CB 3.5Å; F320-K323 PolarHBondContact O-N 2.95Å; F320-K323 VanDerWaalsContact O-N 3.16Å; F320-L328 HydrophobicContact CD2-CD2 4.48Å; F320-L328 HydrophobicContact CE2-CD2 4.28Å; F320-L356 HydrophobicContact CE1-CD1 4.06Å; F320-L356 HydrophobicContact CE1-CD2 3.78Å; F320-L356 HydrophobicContact CE1-CG 4.46Å; F320-L356 HydrophobicContact CZ-CD2 3.61Å; F320-L361 HydrophobicContact CD1-CD1 4.14Å; F320-L361 HydrophobicContact CD2-CD1 3.95Å; F320-L361 HydrophobicContact CD2-CD2 4.41Å; F320-L361 HydrophobicContact CE1-CD1 4.01Å; F320-L361 HydrophobicContact CE2-CD1 3.84Å; F320-L361 HydrophobicContact CG-CD1 4.12Å; F320-L361 HydrophobicContact CG-CD2 4.4Å; F320-L361 HydrophobicContact CZ-CD1 3.87Å; F320-D367 HydrophobicContact CD1-CB 3.83Å; F320-D367 HydrophobicContact CE1-CB 3.76Å; F320-D367 PolarHBondContact N-OD1 2.97Å
321	G	91.2	Very high	95.1	Very high	76 Å²	76	62.1 Å²	62.1	78%	0.784	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	56	32.7	-174.3	0	0	0	0	0	113.7	L319 K323	L319-G321 PolarHBondContact O-N 3.4Å; G321-K323 PolarHBondContact O-N 2.92Å
322	G	92.4	Very high	94.8	Very high	27 Å²	27	63.6 Å²	63.6	28%	0.278	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	86.6	-3.1	179.6	0	0	0	0	0	115.6	A314 L319 F320	A314-G322 VanDerWaalsContact O-CA 3.3Å; A314-G322 WeakPolarHBondContact O-CA 3.43Å; L319-G322 PolarHBondContact O-N 3.26Å; F320-G322 PolarHBondContact O-N 3.41Å
323	K	93.7	Very high	94.6	Very high	144 Å²	144	66.8 Å²	66.8	63%	0.626	37%	0.367	S	S	*	.			trans	-73.5	132.6	-176.7	-96.6	179.7	174.6	174.4	0	112.6	F320 G321	F320-K323 WeakPolarHBondContact O-CB 3.5Å; F320-K323 PolarHBondContact O-N 2.95Å; F320-K323 VanDerWaalsContact O-N 3.16Å; G321-K323 PolarHBondContact O-N 2.92Å
324	L	94.5	Very high	94.6	Very high	65 Å²	65	66.6 Å²	66.6	34%	0.34	37%	0.366	S	S	.	.			trans	-115.5	120.7	168.5	-63.8	168	0	0	0	109.3	V311 A314 K315 L328 L329	V311-L324 HydrophobicContact CG1-CD2 4.31Å; A314-L324 HydrophobicContact CB-CD2 3.69Å; K315-L324 HydrophobicContact CG-CD1 3.72Å; K315-L324 HydrophobicContact CG-CD2 4.35Å; L324-L328 HydrophobicContact CD2-CD2 4.15Å; L324-L329 HydrophobicContact CB-CD1 4.33Å; L324-L329 HydrophobicContact CB-CG 4.43Å; L324-L329 HydrophobicContact CD1-CD2 4.45Å; L324-L329 HydrophobicContact CD2-CD2 4.32Å
325	S	95.8	Very high	94.5	Very high	11 Å²	11	72 Å²	72	8%	0.077	39%	0.391	C	S	.	.			trans	-91.3	154.9	173	65	0	0	0	0	111.2	E327 L328 L329 L359	S325-E327 PolarHBondContact O-N 3.06Å; S325-L328 PolarHBondContact O-N 3.22Å; S325-L328 WeakPolarHBondContact OG-CB 3.28Å; S325-L328 PolarHBondContact OG-N 2.97Å; S325-L328 VanDerWaalsContact OG-N 3.11Å; S325-L329 WeakPolarHBondContact O-CG 3.24Å; S325-L329 PolarHBondContact O-N 2.98Å; S325-L329 VanDerWaalsContact O-N 3.15Å; S325-L359 WeakPolarHBondContact CB-O 3.14Å; S325-L359 PolarHBondContact OG-O 3.36Å
326	P	95	Very high	94.5	Very high	108 Å²	108	66.7 Å²	66.7	70%	0.701	37%	0.369	S	S	*	.	H	α-helix	trans	-57.4	-36.4	174.4	-26.1	35.2	0	0	0	113.4	L329 N330	P326-L329 PolarHBondContact O-N 3.31Å; P326-N330 PolarHBondContact O-N 3.26Å
327	E	95.3	Very high	94.4	Very high	72 Å²	72	69 Å²	69	34%	0.336	38%	0.378	S	S	.	.	H	α-helix	trans	-71.6	-36	178.7	-64	-61.4	161.8	0	0	112.5	S325 L329 N330 R333 L359	S325-E327 PolarHBondContact O-N 3.06Å; E327-L329 VanDerWaalsContact C-N 3.3Å; E327-L329 PolarHBondContact O-N 2.99Å; E327-N330 PolarHBondContact O-N 3.32Å; E327-R333 WeakPolarHBondContact O-CB 3.49Å; E327-R333 WeakPolarHBondContact O-CG 2.81Å; E327-R333 IonicContact OE1-NH2 3.09Å; E327-R333 IonicContact OE2-CZ 2.75Å; E327-R333 IonicContact OE2-NE 2.76Å; E327-R333 PolarHBondContact OE2-NE 2.89Å; E327-R333 IonicContact OE2-NH2 3.33Å; E327-R333 PolarHBondContact OE2-NH2 3.31Å; E327-L359 HydrophobicContact CB-CD2 4.27Å
328	L	95.4	Very high	94.5	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-65.7	-35.1	174.2	179.4	66.1	0	0	0	111.6	R307 L310 V311 F320 L324 S325 N330 L359 L361	R307-L328 WeakPolarHBondContact CD-O 3.49Å; R307-L328 HydrophobicContact CG-CD1 4.24Å; R307-L328 WeakPolarHBondContact CG-O 3.2Å; R307-L328 PolarHBondContact NH1-O 2.99Å; L310-L328 HydrophobicContact CB-CD1 4.09Å; V311-L328 HydrophobicContact CG2-CD1 4.24Å; V311-L328 HydrophobicContact CG2-CD2 4.22Å; V311-L328 HydrophobicContact CG2-CG 3.77Å; F320-L328 HydrophobicContact CD2-CD2 4.48Å; F320-L328 HydrophobicContact CE2-CD2 4.28Å; L324-L328 HydrophobicContact CD2-CD2 4.15Å; S325-L328 PolarHBondContact O-N 3.22Å; S325-L328 WeakPolarHBondContact OG-CB 3.28Å; S325-L328 PolarHBondContact OG-N 2.97Å; S325-L328 VanDerWaalsContact OG-N 3.11Å; L328-N330 VanDerWaalsContact C-N 3.3Å; L328-N330 PolarHBondContact O-N 3.38Å; L328-L359 HydrophobicContact CD1-CD1 4.21Å; L328-L361 HydrophobicContact CD2-CD1 4.2Å; L328-L361 HydrophobicContact CD2-CD2 4.46Å
329	L	95.5	Very high	94.7	Very high	85 Å²	85	57.8 Å²	57.8	45%	0.445	32%	0.324	S	S	.	.	H	α-helix	trans	-74.8	-18.8	179.2	-69.2	173.8	0	0	0	113.4	R307 V311 L324 S325 P326 E327	R307-L329 PolarHBondContact NH1-O 3.14Å; V311-L329 HydrophobicContact CG1-CD2 4.02Å; V311-L329 HydrophobicContact CG2-CD2 4.32Å; L324-L329 HydrophobicContact CB-CD1 4.33Å; L324-L329 HydrophobicContact CB-CG 4.43Å; L324-L329 HydrophobicContact CD1-CD2 4.45Å; L324-L329 HydrophobicContact CD2-CD2 4.32Å; S325-L329 WeakPolarHBondContact O-CG 3.24Å; S325-L329 PolarHBondContact O-N 2.98Å; S325-L329 VanDerWaalsContact O-N 3.15Å; P326-L329 PolarHBondContact O-N 3.31Å; E327-L329 VanDerWaalsContact C-N 3.3Å; E327-L329 PolarHBondContact O-N 2.99Å
330	N	94.4	Very high	94.7	Very high	80 Å²	80	58.5 Å²	58.5	43%	0.428	33%	0.329	S	S	.	.	S	Bend	trans	-84.5	125.9	-176.2	-165.5	5.9	0	0	0	111.6	R307 P326 E327 L328 R333	R307-N330 WeakPolarHBondContact CD-O 3.33Å; P326-N330 PolarHBondContact O-N 3.26Å; E327-N330 PolarHBondContact O-N 3.32Å; L328-N330 VanDerWaalsContact C-N 3.3Å; L328-N330 PolarHBondContact O-N 3.38Å; N330-R333 HydrophobicContact CB-CG 3.82Å; N330-R333 WeakPolarHBondContact O-CB 3.35Å; N330-R333 WeakPolarHBondContact O-CG 3.4Å; N330-R333 PolarHBondContact O-N 3.33Å
331	T	92.4	Very high	94.7	Very high	98 Å²	98	60.8 Å²	60.8	60%	0.601	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	137.2	-178.8	-64.8	0	0	0	0	111.7	R333	T331-R333 VanDerWaalsContact C-N 3.31Å; T331-R333 PolarHBondContact O-N 2.62Å
332	G	90.3	Very high	95	Very high	38 Å²	38	57.2 Å²	57.2	39%	0.392	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	3.9	175.4	0	0	0	0	0	115.5	E304 F334	E304-G332 PolarHBondContact OE2-N 3.17Å; G332-F334 VanDerWaalsContact C-N 3.29Å; G332-F334 PolarHBondContact O-N 3.29Å
333	R	94.9	Very high	95.1	Very high	117 Å²	117	56.1 Å²	56.1	44%	0.442	29%	0.292	S	S	.	.	S	Bend	trans	-76.5	-13.3	176.9	-70.4	-56.9	-148.2	-172.2	4.1	115.1	E327 N330 T331 R358 L359	E327-R333 WeakPolarHBondContact O-CB 3.49Å; E327-R333 WeakPolarHBondContact O-CG 2.81Å; E327-R333 IonicContact OE1-NH2 3.09Å; E327-R333 IonicContact OE2-CZ 2.75Å; E327-R333 IonicContact OE2-NE 2.76Å; E327-R333 PolarHBondContact OE2-NE 2.89Å; E327-R333 IonicContact OE2-NH2 3.33Å; E327-R333 PolarHBondContact OE2-NH2 3.31Å; N330-R333 HydrophobicContact CB-CG 3.82Å; N330-R333 WeakPolarHBondContact O-CB 3.35Å; N330-R333 WeakPolarHBondContact O-CG 3.4Å; N330-R333 PolarHBondContact O-N 3.33Å; T331-R333 VanDerWaalsContact C-N 3.31Å; T331-R333 PolarHBondContact O-N 2.62Å; R333-R358 PolarHBondContact O-NH2 3.04Å; R333-L359 HydrophobicContact CB-CD2 3.74Å
334	F	96.9	Very high	94.9	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.009	27%	0.274	C	S	.	.	S	Bend	trans	-113.6	110.9	169.8	-164.9	-73.4	0	0	0	108	G303 V306 R307 L310 G332 D338 I339 I342 V355 L359 T371	G303-F334 CarbonylContact C-O 3.59Å; G303-F334 VanDerWaalsContact CA-O 3.31Å; G303-F334 WeakPolarHBondContact CA-O 3.19Å; G303-F334 WeakPolarHBondContact O-CD1 3.44Å; V306-F334 HydrophobicContact CB-CD1 4.08Å; V306-F334 HydrophobicContact CB-CE1 3.84Å; V306-F334 HydrophobicContact CB-CZ 4.42Å; V306-F334 HydrophobicContact CG1-CD1 4.04Å; V306-F334 HydrophobicContact CG1-CE1 3.52Å; V306-F334 HydrophobicContact CG1-CE2 4.17Å; V306-F334 HydrophobicContact CG1-CZ 3.6Å; V306-F334 HydrophobicContact CG2-CE1 4.46Å; R307-F334 HydrophobicContact CB-CB 3.91Å; R307-F334 HydrophobicContact CG-CB 4.19Å; L310-F334 HydrophobicContact CD1-CD2 4.07Å; L310-F334 HydrophobicContact CD1-CE2 3.97Å; G332-F334 VanDerWaalsContact C-N 3.29Å; G332-F334 PolarHBondContact O-N 3.29Å; F334-D338 HydrophobicContact CD1-CB 4.3Å; F334-D338 HydrophobicContact CE1-CB 4.02Å; F334-D338 HydrophobicContact CZ-CB 4.14Å; F334-I339 HydrophobicContact CD1-CG1 4.5Å; F334-I339 HydrophobicContact CE1-CG1 3.68Å; F334-I342 HydrophobicContact CE2-CD1 4.11Å; F334-I342 HydrophobicContact CZ-CD1 3.64Å; F334-V355 HydrophobicContact CD2-CG1 3.92Å; F334-V355 HydrophobicContact CE2-CG1 3.68Å; F334-V355 HydrophobicContact CZ-CG1 4.47Å; F334-L359 HydrophobicContact CD2-CD1 3.94Å; F334-T371 HydrophobicContact CE2-CG2 4.45Å
335	E	95.3	Very high	93.9	Very high	114 Å²	114	55.1 Å²	55.1	53%	0.533	30%	0.295	S	S	.	.			trans	-97.1	158.9	-174.1	-65.3	-179.5	-168.3	0	0	111.4	K337 D338 I339	E335-K337 HydrophobicContact CB-CB 4.44Å; E335-K337 PolarHBondContact O-N 3.38Å; E335-K337 VanDerWaalsContact O-N 3.13Å; E335-D338 PolarHBondContact N-OD2 3.35Å; E335-D338 WeakPolarHBondContact O-CA 3.42Å; E335-D338 VanDerWaalsContact O-CB 3.3Å; E335-D338 WeakPolarHBondContact O-CB 3.44Å; E335-D338 PolarHBondContact O-N 3.23Å; E335-I339 PolarHBondContact O-N 3.41Å
336	T	95.7	Very high	93	Very high	18 Å²	18	63.8 Å²	63.8	11%	0.11	33%	0.331	C	S	.	.	H	α-helix	trans	-59.4	-24.6	171.6	-63	0	0	0	0	112.9	G299 M302 G303 D338 I339 S340 V416	G299-T336 VanDerWaalsContact O-CB 3.29Å; G299-T336 WeakPolarHBondContact O-CB 3.26Å; G299-T336 PolarHBondContact O-OG1 3.11Å; M302-T336 HydrophobicContact CB-CG2 4.47Å; M302-T336 HydrophobicContact CE-CG2 3.62Å; G303-T336 PolarHBondContact N-OG1 3.43Å; G303-T336 VanDerWaalsContact N-OG1 3.15Å; T336-D338 VanDerWaalsContact C-N 3.31Å; T336-I339 WeakPolarHBondContact O-CB 3.44Å; T336-I339 PolarHBondContact O-N 2.84Å; T336-S340 PolarHBondContact O-N 3.37Å; T336-S340 VanDerWaalsContact O-N 3.16Å; T336-S340 PolarHBondContact O-OG 2.71Å; T336-S340 VanDerWaalsContact O-OG 3.12Å; T336-V416 HydrophobicContact CG2-CG2 4.2Å
337	K	95.4	Very high	92.5	Very high	136 Å²	136	62.1 Å²	62.1	59%	0.591	32%	0.316	S	S	*	.	H	α-helix	trans	-62.1	-40.4	170.5	-176.2	-171.1	169.4	-169.5	0	111.2	E335 I339 S340 D341	E335-K337 HydrophobicContact CB-CB 4.44Å; E335-K337 PolarHBondContact O-N 3.38Å; E335-K337 VanDerWaalsContact O-N 3.13Å; K337-I339 VanDerWaalsContact C-N 3.31Å; K337-I339 PolarHBondContact O-N 3.48Å; K337-S340 WeakPolarHBondContact O-CB 3.26Å; K337-S340 PolarHBondContact O-N 3.01Å; K337-S340 VanDerWaalsContact O-N 3.09Å; K337-D341 PolarHBondContact O-N 3Å
338	D	97.1	Very high	92.2	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-63.6	-39	178.3	-59.9	-52.2	0	0	0	111	F334 E335 T336 S340 D341 I342 V355 R358	F334-D338 HydrophobicContact CD1-CB 4.3Å; F334-D338 HydrophobicContact CE1-CB 4.02Å; F334-D338 HydrophobicContact CZ-CB 4.14Å; E335-D338 PolarHBondContact N-OD2 3.35Å; E335-D338 WeakPolarHBondContact O-CA 3.42Å; E335-D338 VanDerWaalsContact O-CB 3.3Å; E335-D338 WeakPolarHBondContact O-CB 3.44Å; E335-D338 PolarHBondContact O-N 3.23Å; T336-D338 VanDerWaalsContact C-N 3.31Å; D338-S340 VanDerWaalsContact C-N 3.3Å; D338-S340 PolarHBondContact O-N 3.06Å; D338-D341 PolarHBondContact O-N 2.9Å; D338-I342 VanDerWaalsContact O-CB 3.31Å; D338-I342 WeakPolarHBondContact O-CB 3.48Å; D338-I342 WeakPolarHBondContact O-CD1 3.34Å; D338-I342 WeakPolarHBondContact O-CG1 3.16Å; D338-I342 PolarHBondContact O-N 2.79Å; D338-V355 HydrophobicContact CB-CG1 4Å; D338-V355 HydrophobicContact CB-CG2 4.01Å; D338-R358 IonicContact OD1-CZ 2.84Å; D338-R358 IonicContact OD1-NH1 2.64Å; D338-R358 PolarHBondContact OD1-NH1 3.35Å; D338-R358 IonicContact OD1-NH2 3.56Å; D338-R358 PolarHBondContact OD1-NH2 2.94Å; D338-R358 IonicContact OD2-CZ 3.84Å; D338-R358 IonicContact OD2-NH1 3.98Å; D338-R358 IonicContact OD2-NH2 3.35Å; D338-R358 PolarHBondContact OD2-NH2 3.02Å
339	I	97.4	Very high	92.1	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-55.7	-48.1	171.4	-57.4	179.1	0	0	0	110.3	M302 V306 F334 E335 T336 K337 D341 I342 E343 C375	M302-I339 HydrophobicContact CB-CD1 3.77Å; V306-I339 HydrophobicContact CG2-CD1 3.7Å; V306-I339 HydrophobicContact CG2-CG1 4.13Å; F334-I339 HydrophobicContact CD1-CG1 4.5Å; F334-I339 HydrophobicContact CE1-CG1 3.68Å; E335-I339 PolarHBondContact O-N 3.41Å; T336-I339 WeakPolarHBondContact O-CB 3.44Å; T336-I339 PolarHBondContact O-N 2.84Å; K337-I339 VanDerWaalsContact C-N 3.31Å; K337-I339 PolarHBondContact O-N 3.48Å; I339-D341 VanDerWaalsContact C-N 3.33Å; I339-D341 PolarHBondContact O-N 3.2Å; I339-I342 PolarHBondContact O-N 2.81Å; I339-E343 WeakPolarHBondContact CG2-OE1 3.33Å; I339-E343 PolarHBondContact O-N 3.15Å; I339-C375 HydrophobicContact CG2-CB 3.91Å
340	S	95.4	Very high	92	Very high	17 Å²	17	63.2 Å²	63.2	12%	0.119	32%	0.318	C	S	.	.	H	α-helix	trans	-64.2	-38.8	-178.4	-54.5	0	0	0	0	112.2	T336 K337 D338 G344 H420	T336-S340 PolarHBondContact O-N 3.37Å; T336-S340 VanDerWaalsContact O-N 3.16Å; T336-S340 PolarHBondContact O-OG 2.71Å; T336-S340 VanDerWaalsContact O-OG 3.12Å; K337-S340 WeakPolarHBondContact O-CB 3.26Å; K337-S340 PolarHBondContact O-N 3.01Å; K337-S340 VanDerWaalsContact O-N 3.09Å; D338-S340 VanDerWaalsContact C-N 3.3Å; D338-S340 PolarHBondContact O-N 3.06Å; S340-G344 PolarHBondContact O-N 2.95Å; S340-H420 PolarHBondContact OG-CD2 3.23Å
341	D	94.9	Very high	92.1	Very high	65 Å²	65	62.3 Å²	62.3	35%	0.348	31%	0.31	S	S	.	.	H	α-helix	trans	-70	-38.7	177	-72.9	-16.2	0	0	0	111.4	K337 D338 I339 G344 K351	K337-D341 PolarHBondContact O-N 3Å; D338-D341 PolarHBondContact O-N 2.9Å; I339-D341 VanDerWaalsContact C-N 3.33Å; I339-D341 PolarHBondContact O-N 3.2Å; D341-G344 PolarHBondContact O-N 2.91Å; D341-K351 HydrophobicContact CB-CD 4.36Å; D341-K351 WeakPolarHBondContact O-CB 3.5Å
342	I	96.8	Very high	92.3	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68.9	-38.8	177.5	-71.3	167.4	0	0	0	111.5	F334 D338 I339 G344 G348 K351 A352 V355 T371 H372 C375	F334-I342 HydrophobicContact CE2-CD1 4.11Å; F334-I342 HydrophobicContact CZ-CD1 3.64Å; D338-I342 VanDerWaalsContact O-CB 3.31Å; D338-I342 WeakPolarHBondContact O-CB 3.48Å; D338-I342 WeakPolarHBondContact O-CD1 3.34Å; D338-I342 WeakPolarHBondContact O-CG1 3.16Å; D338-I342 PolarHBondContact O-N 2.79Å; I339-I342 PolarHBondContact O-N 2.81Å; I342-G344 PolarHBondContact O-N 3.38Å; I342-G348 CarbonylContact O-C 3.54Å; I342-G348 WeakPolarHBondContact O-CA 3.04Å; I342-K351 HydrophobicContact CG1-CB 4.49Å; I342-A352 HydrophobicContact CD1-CB 4.29Å; I342-A352 HydrophobicContact CG1-CB 4.05Å; I342-A352 HydrophobicContact CG2-CB 4.09Å; I342-V355 HydrophobicContact CD1-CB 4.38Å; I342-V355 HydrophobicContact CD1-CG1 4.46Å; I342-V355 HydrophobicContact CD1-CG2 4.38Å; I342-T371 HydrophobicContact CD1-CG2 4.28Å; I342-H372 HydrophobicContact CG2-CB 3.96Å; I342-H372 PolarHBondContact O-CD2 3.28Å; I342-C375 HydrophobicContact CG2-CB 4.29Å
343	E	95	Very high	92.5	Very high	4 Å²	4	61.7 Å²	61.7	2%	0.019	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	10.1	177	-69.8	-166.3	-131.5	0	0	113.4	I339 C375 Q376 S379 H420 P421 H422	I339-E343 WeakPolarHBondContact CG2-OE1 3.33Å; I339-E343 PolarHBondContact O-N 3.15Å; E343-C375 HydrophobicContact CG-CB 4.15Å; E343-C375 VanDerWaalsContact OE1-O 3.09Å; E343-Q376 HydrophobicContact CG-CG 4.15Å; E343-Q376 WeakPolarHBondContact OE1-CA 3.3Å; E343-Q376 PolarHBondContact OE1-N 3Å; E343-S379 VanDerWaalsContact OE1-CB 3.3Å; E343-S379 WeakPolarHBondContact OE1-CB 3.46Å; E343-S379 PolarHBondContact OE1-OG 2.83Å; E343-S379 PolarHBondContact OE2-OG 3.18Å; E343-H420 VanDerWaalsContact CD-CE1 3.5Å; E343-H420 IonicContact OE1-CE1 3.2Å; E343-H420 IonicContact OE1-NE2 3.57Å; E343-H420 PolarHBondContact OE1-NE2 3.45Å; E343-H420 IonicContact OE2-CE1 2.96Å; E343-H420 PolarHBondContact OE2-CE1 3.47Å; E343-H420 IonicContact OE2-NE2 3.09Å; E343-P421 HydrophobicContact CB-CG 3.98Å; E343-P421 WeakPolarHBondContact O-CG 3.33Å; E343-H422 PolarHBondContact O-NE2 2.96Å; E343-H422 VanDerWaalsContact O-NE2 3.16Å; E343-H422 IonicContact OE2-CD2 2.72Å
344	G	89	Confident	92.6	Very high	24 Å²	24	59.8 Å²	59.8	25%	0.247	28%	0.281	C	S	.	.			trans	-67.5	140	178.7	0	0	0	0	0	113.9	S340 D341 I342 K346 G348	S340-G344 PolarHBondContact O-N 2.95Å; D341-G344 PolarHBondContact O-N 2.91Å; I342-G344 PolarHBondContact O-N 3.38Å; G344-K346 VanDerWaalsContact C-N 3.32Å; G344-K346 PolarHBondContact O-N 3.31Å; G344-K346 VanDerWaalsContact O-N 3.14Å; G344-G348 PolarHBondContact O-N 2.96Å
345	E	73.5	Confident	92.6	Very high	165 Å²	165	60 Å²	60	77%	0.771	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-24.9	-169.1	-65.8	-174.7	162.2	0	0	116.3
346	K	77.1	Confident	92.7	Very high	192 Å²	192	54.6 Å²	54.6	84%	0.835	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-19.2	-170	-66.8	-176.3	-179.8	178	0	115	G344	G344-K346 VanDerWaalsContact C-N 3.32Å; G344-K346 PolarHBondContact O-N 3.31Å; G344-K346 VanDerWaalsContact O-N 3.14Å
347	D	84.4	Confident	92.7	Very high	74 Å²	74	57.7 Å²	57.7	40%	0.396	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.1	15.7	-166	-84.9	-53.7	0	0	0	114.2	I349 R350 K351	D347-I349 PolarHBondContact O-N 3.28Å; D347-R350 VanDerWaalsContact CG-NE 3.3Å; D347-R350 WeakPolarHBondContact O-CA 3.36Å; D347-R350 WeakPolarHBondContact O-CB 3.27Å; D347-R350 PolarHBondContact O-N 2.85Å; D347-R350 IonicContact OD1-CZ 2.78Å; D347-R350 IonicContact OD1-NE 3.97Å; D347-R350 PolarHBondContact OD1-NE 3.49Å; D347-R350 IonicContact OD1-NH2 3.81Å; D347-R350 IonicContact OD2-CZ 2.63Å; D347-R350 IonicContact OD2-NE 2.7Å; D347-R350 IonicContact OD2-NH2 2.71Å; D347-R350 PolarHBondContact OD2-NH2 3.14Å; D347-K351 HydrophobicContact CB-CG 4.42Å; D347-K351 PolarHBondContact O-N 2.8Å
348	G	90	Very high	92.7	Very high	8 Å²	8	57.6 Å²	57.6	8%	0.082	27%	0.267	C	S	.	.	H	α-helix	trans	-52.9	-45	-168.6	0	0	0	0	0	115.9	I342 G344 R350 K351 A352	I342-G348 CarbonylContact O-C 3.54Å; I342-G348 WeakPolarHBondContact O-CA 3.04Å; G344-G348 PolarHBondContact O-N 2.96Å; G348-R350 PolarHBondContact O-N 3.15Å; G348-K351 PolarHBondContact O-N 2.69Å; G348-A352 PolarHBondContact O-N 2.82Å
349	I	92.6	Very high	92.7	Very high	62 Å²	62	57.6 Å²	57.6	32%	0.318	27%	0.267	S	S	.	.	H	α-helix	trans	-66.5	-37.3	177.3	-58.4	-57.4	0	0	0	112.1	D347 A352 R353 C368 V369 H372	D347-I349 PolarHBondContact O-N 3.28Å; I349-A352 PolarHBondContact O-N 2.75Å; I349-R353 PolarHBondContact O-N 3.16Å; I349-C368 HydrophobicContact CG2-CB 3.8Å; I349-V369 HydrophobicContact CD1-CG2 3.95Å; I349-H372 HydrophobicContact CD1-CB 3.73Å
350	R	94.2	Very high	92.5	Very high	110 Å²	110	60.4 Å²	60.4	42%	0.415	30%	0.296	S	S	.	.	H	α-helix	trans	-66.1	-41.1	174.9	-179.7	-178.6	64.7	90.2	-8.3	110.6	D347 G348 R353 E354	D347-R350 VanDerWaalsContact CG-NE 3.3Å; D347-R350 WeakPolarHBondContact O-CA 3.36Å; D347-R350 WeakPolarHBondContact O-CB 3.27Å; D347-R350 PolarHBondContact O-N 2.85Å; D347-R350 IonicContact OD1-CZ 2.78Å; D347-R350 IonicContact OD1-NE 3.97Å; D347-R350 PolarHBondContact OD1-NE 3.49Å; D347-R350 IonicContact OD1-NH2 3.81Å; D347-R350 IonicContact OD2-CZ 2.63Å; D347-R350 IonicContact OD2-NE 2.7Å; D347-R350 IonicContact OD2-NH2 2.71Å; D347-R350 PolarHBondContact OD2-NH2 3.14Å; G348-R350 PolarHBondContact O-N 3.15Å; R350-R353 WeakPolarHBondContact O-CB 3.4Å; R350-R353 PolarHBondContact O-N 3.09Å; R350-E354 IonicContact CZ-OE1 3.21Å; R350-E354 IonicContact NH1-OE1 2.69Å; R350-E354 PolarHBondContact NH1-OE1 2.87Å; R350-E354 IonicContact NH1-OE2 2.92Å; R350-E354 PolarHBondContact O-N 3.3Å
351	K	95.6	Very high	92.5	Very high	61 Å²	61	60.2 Å²	60.2	27%	0.265	29%	0.294	S	S	.	.	H	α-helix	trans	-65	-40	175.6	-73	-72.8	169.6	-162.7	0	112.2	D341 I342 D347 G348 R353 E354 V355	D341-K351 HydrophobicContact CB-CD 4.36Å; D341-K351 WeakPolarHBondContact O-CB 3.5Å; I342-K351 HydrophobicContact CG1-CB 4.49Å; D347-K351 HydrophobicContact CB-CG 4.42Å; D347-K351 PolarHBondContact O-N 2.8Å; G348-K351 PolarHBondContact O-N 2.69Å; K351-R353 VanDerWaalsContact C-N 3.29Å; K351-R353 PolarHBondContact O-N 3.27Å; K351-E354 WeakPolarHBondContact CD-OE2 3.49Å; K351-E354 WeakPolarHBondContact CE-OE2 3.49Å; K351-E354 IonicContact NZ-OE2 3.75Å; K351-E354 PolarHBondContact NZ-OE2 3.15Å; K351-E354 PolarHBondContact O-N 3.37Å; K351-V355 WeakPolarHBondContact O-CG2 3.26Å; K351-V355 PolarHBondContact O-N 3.47Å
352	A	95.8	Very high	92.4	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-57.1	-45.5	171.6	0	0	0	0	0	111	I342 G348 I349 E354 V355 L356 C368	I342-A352 HydrophobicContact CD1-CB 4.29Å; I342-A352 HydrophobicContact CG1-CB 4.05Å; I342-A352 HydrophobicContact CG2-CB 4.09Å; G348-A352 PolarHBondContact O-N 2.82Å; I349-A352 PolarHBondContact O-N 2.75Å; A352-E354 PolarHBondContact O-N 2.97Å; A352-V355 PolarHBondContact O-N 3.21Å; A352-L356 WeakPolarHBondContact O-CB 3.3Å; A352-L356 WeakPolarHBondContact O-CD1 3.26Å; A352-L356 WeakPolarHBondContact O-CG 3.23Å; A352-L356 PolarHBondContact O-N 3.17Å; A352-C368 HydrophobicContact CB-CB 4.13Å
353	R	96.5	Very high	92.3	Very high	122 Å²	122	63.1 Å²	63.1	46%	0.46	31%	0.31	S	S	.	.	H	α-helix	trans	-58.7	-47.3	175.5	-169.3	172	-172.3	156.5	6	112.7	I349 R350 K351 L356 M357 P363	I349-R353 PolarHBondContact O-N 3.16Å; R350-R353 WeakPolarHBondContact O-CB 3.4Å; R350-R353 PolarHBondContact O-N 3.09Å; K351-R353 VanDerWaalsContact C-N 3.29Å; K351-R353 PolarHBondContact O-N 3.27Å; R353-L356 PolarHBondContact O-N 3.2Å; R353-M357 HydrophobicContact CG-CE 4.02Å; R353-M357 HydrophobicContact CG-CG 4.48Å; R353-M357 HydrophobicContact CG-SD 4.04Å; R353-M357 VanDerWaalsContact NE-CE 3.3Å; R353-M357 WeakPolarHBondContact O-CB 3.42Å; R353-M357 VanDerWaalsContact O-CG 3.28Å; R353-M357 WeakPolarHBondContact O-CG 3.28Å; R353-M357 PolarHBondContact O-N 3.31Å; R353-P363 HydrophobicContact CG-CG 4Å
354	E	96.3	Very high	92.3	Very high	78 Å²	78	66.5 Å²	66.5	36%	0.364	33%	0.331	S	S	.	.	H	α-helix	trans	-60.3	-45.6	178.9	-73.7	171.3	-169	0	0	112.2	R350 K351 A352 M357 R358	R350-E354 IonicContact CZ-OE1 3.21Å; R350-E354 IonicContact NH1-OE1 2.69Å; R350-E354 PolarHBondContact NH1-OE1 2.87Å; R350-E354 IonicContact NH1-OE2 2.92Å; R350-E354 PolarHBondContact O-N 3.3Å; K351-E354 WeakPolarHBondContact CD-OE2 3.49Å; K351-E354 WeakPolarHBondContact CE-OE2 3.49Å; K351-E354 IonicContact NZ-OE2 3.75Å; K351-E354 PolarHBondContact NZ-OE2 3.15Å; K351-E354 PolarHBondContact O-N 3.37Å; A352-E354 PolarHBondContact O-N 2.97Å; E354-M357 PolarHBondContact O-N 3.35Å; E354-R358 WeakPolarHBondContact O-CB 3.26Å; E354-R358 PolarHBondContact O-N 3.08Å
355	V	96.4	Very high	92.5	Very high	6 Å²	6	70.4 Å²	70.4	4%	0.036	34%	0.342	C	S	.	.	H	α-helix	trans	-64.7	-46.8	178.6	171.5	0	0	0	0	110.8	F334 D338 I342 K351 A352 M357 R358 L359	F334-V355 HydrophobicContact CD2-CG1 3.92Å; F334-V355 HydrophobicContact CE2-CG1 3.68Å; F334-V355 HydrophobicContact CZ-CG1 4.47Å; D338-V355 HydrophobicContact CB-CG1 4Å; D338-V355 HydrophobicContact CB-CG2 4.01Å; I342-V355 HydrophobicContact CD1-CB 4.38Å; I342-V355 HydrophobicContact CD1-CG1 4.46Å; I342-V355 HydrophobicContact CD1-CG2 4.38Å; K351-V355 WeakPolarHBondContact O-CG2 3.26Å; K351-V355 PolarHBondContact O-N 3.47Å; A352-V355 PolarHBondContact O-N 3.21Å; V355-M357 PolarHBondContact O-N 3.49Å; V355-R358 WeakPolarHBondContact O-CB 2.91Å; V355-R358 PolarHBondContact O-N 3.17Å; V355-L359 HydrophobicContact CG1-CD1 4.5Å; V355-L359 WeakPolarHBondContact O-CG 3.29Å; V355-L359 PolarHBondContact O-N 2.97Å; V355-L359 VanDerWaalsContact O-N 3.09Å
356	L	97.3	Very high	93.4	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-64.9	-38.3	179.5	-69.1	168.4	0	0	0	112	L310 F320 A352 R353 L359 L361 P363 T371	L310-L356 HydrophobicContact CD1-CD2 4.34Å; F320-L356 HydrophobicContact CE1-CD1 4.06Å; F320-L356 HydrophobicContact CE1-CD2 3.78Å; F320-L356 HydrophobicContact CE1-CG 4.46Å; F320-L356 HydrophobicContact CZ-CD2 3.61Å; A352-L356 WeakPolarHBondContact O-CB 3.3Å; A352-L356 WeakPolarHBondContact O-CD1 3.26Å; A352-L356 WeakPolarHBondContact O-CG 3.23Å; A352-L356 PolarHBondContact O-N 3.17Å; R353-L356 PolarHBondContact O-N 3.2Å; L356-L359 CarbonylContact O-C 3.42Å; L356-L359 WeakPolarHBondContact O-CB 3.12Å; L356-L359 PolarHBondContact O-N 2.69Å; L356-L361 HydrophobicContact CD2-CD1 4.02Å; L356-L361 WeakPolarHBondContact O-CB 3.33Å; L356-L361 PolarHBondContact O-N 3.1Å; L356-P363 HydrophobicContact CB-CB 3.94Å; L356-P363 HydrophobicContact CB-CG 3.76Å; L356-P363 HydrophobicContact CD1-CB 3.71Å; L356-P363 HydrophobicContact CD1-CG 4.23Å; L356-P363 HydrophobicContact CG-CB 4.47Å; L356-T371 HydrophobicContact CD1-CG2 4.32Å; L356-T371 HydrophobicContact CD2-CG2 4.27Å; L356-T371 HydrophobicContact CG-CG2 4.45Å
357	M	96.4	Very high	94.3	Very high	84 Å²	84	57.7 Å²	57.7	41%	0.414	29%	0.286	S	S	.	.	H	α-helix	trans	-64.7	-39.5	172.7	-76.5	178.6	164.8	0	0	112.3	R353 E354 V355 L359 G360 P363	R353-M357 HydrophobicContact CG-CE 4.02Å; R353-M357 HydrophobicContact CG-CG 4.48Å; R353-M357 HydrophobicContact CG-SD 4.04Å; R353-M357 VanDerWaalsContact NE-CE 3.3Å; R353-M357 WeakPolarHBondContact O-CB 3.42Å; R353-M357 VanDerWaalsContact O-CG 3.28Å; R353-M357 WeakPolarHBondContact O-CG 3.28Å; R353-M357 PolarHBondContact O-N 3.31Å; E354-M357 PolarHBondContact O-N 3.35Å; V355-M357 PolarHBondContact O-N 3.49Å; M357-L359 PolarHBondContact O-N 2.88Å; M357-G360 PolarHBondContact O-N 3.19Å; M357-P363 HydrophobicContact CG-CG 4.22Å
358	R	96	Very high	94.8	Very high	134 Å²	134	54.3 Å²	54.3	51%	0.506	27%	0.269	S	S	.	.	H	α-helix	trans	-60.8	-29.7	173.5	-173.9	-172.4	70.7	-156	3.7	111.9	R333 D338 E354 V355 G360	R333-R358 PolarHBondContact O-NH2 3.04Å; D338-R358 IonicContact OD1-CZ 2.84Å; D338-R358 IonicContact OD1-NH1 2.64Å; D338-R358 PolarHBondContact OD1-NH1 3.35Å; D338-R358 IonicContact OD1-NH2 3.56Å; D338-R358 PolarHBondContact OD1-NH2 2.94Å; D338-R358 IonicContact OD2-CZ 3.84Å; D338-R358 IonicContact OD2-NH1 3.98Å; D338-R358 IonicContact OD2-NH2 3.35Å; D338-R358 PolarHBondContact OD2-NH2 3.02Å; E354-R358 WeakPolarHBondContact O-CB 3.26Å; E354-R358 PolarHBondContact O-N 3.08Å; V355-R358 WeakPolarHBondContact O-CB 2.91Å; V355-R358 PolarHBondContact O-N 3.17Å; R358-G360 PolarHBondContact O-N 3.32Å
359	L	95.4	Very high	95.1	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.016	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	7.7	172.5	-64.3	172.4	0	0	0	113.1	S325 E327 L328 R333 F334 V355 L356 M357 L361	S325-L359 WeakPolarHBondContact CB-O 3.14Å; S325-L359 PolarHBondContact OG-O 3.36Å; E327-L359 HydrophobicContact CB-CD2 4.27Å; L328-L359 HydrophobicContact CD1-CD1 4.21Å; R333-L359 HydrophobicContact CB-CD2 3.74Å; F334-L359 HydrophobicContact CD2-CD1 3.94Å; V355-L359 HydrophobicContact CG1-CD1 4.5Å; V355-L359 WeakPolarHBondContact O-CG 3.29Å; V355-L359 PolarHBondContact O-N 2.97Å; V355-L359 VanDerWaalsContact O-N 3.09Å; L356-L359 CarbonylContact O-C 3.42Å; L356-L359 WeakPolarHBondContact O-CB 3.12Å; L356-L359 PolarHBondContact O-N 2.69Å; M357-L359 PolarHBondContact O-N 2.88Å; L359-L361 VanDerWaalsContact C-N 3.35Å; L359-L361 HydrophobicContact CB-CD1 4.46Å
360	G	93.9	Very high	95.3	Very high	59 Å²	59	51.7 Å²	51.7	61%	0.608	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	22.8	176.9	0	0	0	0	0	114.2	M357 R358	M357-G360 PolarHBondContact O-N 3.19Å; R358-G360 PolarHBondContact O-N 3.32Å
361	L	95.3	Very high	95.4	Very high	13 Å²	13	46.4 Å²	46.4	7%	0.068	23%	0.234	C	C	.	.			trans	-100.1	161	174	-56.6	166.6	0	0	0	110.4	F320 L328 L356 L359 P363	F320-L361 HydrophobicContact CD1-CD1 4.14Å; F320-L361 HydrophobicContact CD2-CD1 3.95Å; F320-L361 HydrophobicContact CD2-CD2 4.41Å; F320-L361 HydrophobicContact CE1-CD1 4.01Å; F320-L361 HydrophobicContact CE2-CD1 3.84Å; F320-L361 HydrophobicContact CG-CD1 4.12Å; F320-L361 HydrophobicContact CG-CD2 4.4Å; F320-L361 HydrophobicContact CZ-CD1 3.87Å; L328-L361 HydrophobicContact CD2-CD1 4.2Å; L328-L361 HydrophobicContact CD2-CD2 4.46Å; L356-L361 HydrophobicContact CD2-CD1 4.02Å; L356-L361 WeakPolarHBondContact O-CB 3.33Å; L356-L361 PolarHBondContact O-N 3.1Å; L359-L361 VanDerWaalsContact C-N 3.35Å; L359-L361 HydrophobicContact CB-CD1 4.46Å; L361-P363 WeakPolarHBondContact O-CD 3.32Å
362	D	93.8	Very high	95.5	Very high	124 Å²	124	45.3 Å²	45.3	66%	0.663	23%	0.229	S	C	*	.			trans	-114.2	80.8	169.1	-172.7	21.1	0	0	0	108.7
363	P	94.6	Very high	95.5	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.019	24%	0.238	C	C	.	.			trans	-76.1	137.5	-167.9	32.9	-39.4	0	0	0	112.1	R353 L356 M357 L361 D367	R353-P363 HydrophobicContact CG-CG 4Å; L356-P363 HydrophobicContact CB-CB 3.94Å; L356-P363 HydrophobicContact CB-CG 3.76Å; L356-P363 HydrophobicContact CD1-CB 3.71Å; L356-P363 HydrophobicContact CD1-CG 4.23Å; L356-P363 HydrophobicContact CG-CB 4.47Å; M357-P363 HydrophobicContact CG-CG 4.22Å; L361-P363 WeakPolarHBondContact O-CD 3.32Å; P363-D367 HydrophobicContact CB-CB 4.06Å
364	T	95	Very high	95.6	Very high	75 Å²	75	41.9 Å²	41.9	46%	0.46	22%	0.216	S	C	.	.			trans	-72.9	171.1	167.5	67.3	0	0	0	0	111.2	E366 D367 C368	T364-E366 VanDerWaalsContact C-N 3.3Å; T364-E366 PolarHBondContact O-N 3.26Å; T364-D367 WeakPolarHBondContact CB-OD2 3.42Å; T364-D367 PolarHBondContact N-OD2 2.81Å; T364-D367 PolarHBondContact O-N 3Å; T364-D367 PolarHBondContact OG1-N 3.12Å; T364-D367 VanDerWaalsContact OG1-N 3.11Å; T364-D367 PolarHBondContact OG1-OD2 3.22Å; T364-C368 PolarHBondContact O-N 3.23Å; T364-C368 PolarHBondContact O-SG 2.86Å
365	Q	92.3	Very high	95.7	Very high	105 Å²	105	38.1 Å²	38.1	49%	0.491	20%	0.199	S	C	.	.	H	α-helix	trans	-63.9	-37.8	173.3	-175.3	166.5	2	0	0	111.8	C368 V369	Q365-C368 WeakPolarHBondContact O-CB 3.49Å; Q365-C368 PolarHBondContact O-N 2.75Å; Q365-V369 WeakPolarHBondContact O-CG2 3.35Å; Q365-V369 PolarHBondContact O-N 3.09Å
366	E	93.1	Very high	95.8	Very high	81 Å²	81	40.1 Å²	40.1	38%	0.379	21%	0.208	S	C	.	.	H	α-helix	trans	-65	-39.4	176.5	-68	176.3	-178.4	0	0	111.5	Q18 T364 C368 V369 A370	Q18-E366 HydrophobicContact CG-CB 4.37Å; T364-E366 VanDerWaalsContact C-N 3.3Å; T364-E366 PolarHBondContact O-N 3.26Å; E366-C368 VanDerWaalsContact C-N 3.3Å; E366-C368 PolarHBondContact O-N 2.8Å; E366-V369 PolarHBondContact O-N 3.26Å; E366-A370 WeakPolarHBondContact O-CB 3.47Å; E366-A370 PolarHBondContact O-N 3Å
367	D	95.3	Very high	95.8	Very high	10 Å²	10	40.5 Å²	40.5	5%	0.053	21%	0.21	C	C	.	.	H	α-helix	trans	-60.6	-40.2	173.7	-67.8	-46.5	0	0	0	111.9	L319 F320 P363 T364 T371	L319-D367 WeakPolarHBondContact CA-OD1 3.34Å; F320-D367 HydrophobicContact CD1-CB 3.83Å; F320-D367 HydrophobicContact CE1-CB 3.76Å; F320-D367 PolarHBondContact N-OD1 2.97Å; P363-D367 HydrophobicContact CB-CB 4.06Å; T364-D367 WeakPolarHBondContact CB-OD2 3.42Å; T364-D367 PolarHBondContact N-OD2 2.81Å; T364-D367 PolarHBondContact O-N 3Å; T364-D367 PolarHBondContact OG1-N 3.12Å; T364-D367 VanDerWaalsContact OG1-N 3.11Å; T364-D367 PolarHBondContact OG1-OD2 3.22Å; D367-T371 VanDerWaalsContact O-CB 3.28Å; D367-T371 WeakPolarHBondContact O-CB 3.29Å; D367-T371 PolarHBondContact O-N 3.27Å; D367-T371 PolarHBondContact O-OG1 3.36Å
368	C	96.1	Very high	95.9	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.02	19%	0.19	C	C	.	.	H	α-helix	trans	-68.1	-40.9	177.7	-61.8	0	0	0	0	111.4	I349 A352 T364 Q365 E366 H372	I349-C368 HydrophobicContact CG2-CB 3.8Å; A352-C368 HydrophobicContact CB-CB 4.13Å; T364-C368 PolarHBondContact O-N 3.23Å; T364-C368 PolarHBondContact O-SG 2.86Å; Q365-C368 WeakPolarHBondContact O-CB 3.49Å; Q365-C368 PolarHBondContact O-N 2.75Å; E366-C368 VanDerWaalsContact C-N 3.3Å; E366-C368 PolarHBondContact O-N 2.8Å; C368-H372 VanDerWaalsContact O-CB 3.29Å; C368-H372 WeakPolarHBondContact O-CB 3.31Å; C368-H372 PolarHBondContact O-N 3.2Å
369	V	95.1	Very high	96	Very high	14 Å²	14	30.3 Å²	30.3	9%	0.085	17%	0.167	C	C	.	.	H	α-helix	trans	-65.2	-43.2	175.5	170.3	0	0	0	0	111	V19 I349 Q365 E366 H372 R373	V19-V369 HydrophobicContact CG2-CG1 3.91Å; I349-V369 HydrophobicContact CD1-CG2 3.95Å; Q365-V369 WeakPolarHBondContact O-CG2 3.35Å; Q365-V369 PolarHBondContact O-N 3.09Å; E366-V369 PolarHBondContact O-N 3.26Å; V369-H372 PolarHBondContact O-N 2.87Å; V369-R373 WeakPolarHBondContact O-CB 3.47Å; V369-R373 PolarHBondContact O-N 2.96Å
370	A	96.3	Very high	96.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.1	-47.3	176.6	0	0	0	0	0	111.5	Q18 V22 L319 E366 H372 R373 I374	Q18-A370 HydrophobicContact CG-CB 4Å; V22-A370 HydrophobicContact CG2-CB 3.77Å; L319-A370 HydrophobicContact CD2-CB 3.55Å; E366-A370 WeakPolarHBondContact O-CB 3.47Å; E366-A370 PolarHBondContact O-N 3Å; A370-H372 VanDerWaalsContact C-N 3.32Å; A370-H372 PolarHBondContact O-N 3.5Å; A370-R373 WeakPolarHBondContact O-CB 3.44Å; A370-R373 PolarHBondContact O-N 3.4Å; A370-I374 VanDerWaalsContact O-CG1 3.26Å; A370-I374 WeakPolarHBondContact O-CG1 3.37Å; A370-I374 PolarHBondContact O-N 2.76Å
371	T	97.6	Very high	96.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.3	-43.2	176.9	-59.7	0	0	0	0	111.6	L310 F334 I342 L356 D367 R373 I374 C375	L310-T371 HydrophobicContact CD1-CG2 4.29Å; L310-T371 HydrophobicContact CD2-CG2 4.23Å; F334-T371 HydrophobicContact CE2-CG2 4.45Å; I342-T371 HydrophobicContact CD1-CG2 4.28Å; L356-T371 HydrophobicContact CD1-CG2 4.32Å; L356-T371 HydrophobicContact CD2-CG2 4.27Å; L356-T371 HydrophobicContact CG-CG2 4.45Å; D367-T371 VanDerWaalsContact O-CB 3.28Å; D367-T371 WeakPolarHBondContact O-CB 3.29Å; D367-T371 PolarHBondContact O-N 3.27Å; D367-T371 PolarHBondContact O-OG1 3.36Å; T371-R373 VanDerWaalsContact C-N 3.34Å; T371-R373 PolarHBondContact O-N 2.97Å; T371-I374 PolarHBondContact O-N 3.43Å; T371-C375 PolarHBondContact O-N 3.05Å; T371-C375 PolarHBondContact O-SG 2.74Å
372	H	96.8	Very high	96.5	Very high	38 Å²	38	30 Å²	30	18%	0.176	15%	0.154	C	C	.	.	H	α-helix	trans	-59.9	-43.7	173.5	178.2	-82.1	0	0	0	111.8	I342 I349 C368 V369 A370 C375 Q376	I342-H372 HydrophobicContact CG2-CB 3.96Å; I342-H372 PolarHBondContact O-CD2 3.28Å; I349-H372 HydrophobicContact CD1-CB 3.73Å; C368-H372 VanDerWaalsContact O-CB 3.29Å; C368-H372 WeakPolarHBondContact O-CB 3.31Å; C368-H372 PolarHBondContact O-N 3.2Å; V369-H372 PolarHBondContact O-N 2.87Å; A370-H372 VanDerWaalsContact C-N 3.32Å; A370-H372 PolarHBondContact O-N 3.5Å; H372-C375 WeakPolarHBondContact O-CB 3.24Å; H372-C375 PolarHBondContact O-N 3.42Å; H372-Q376 PolarHBondContact CE1-NE2 3.22Å; H372-Q376 WeakPolarHBondContact O-CG 3.35Å; H372-Q376 PolarHBondContact O-N 3.25Å; H372-Q376 VanDerWaalsContact O-N 3.09Å
373	R	96.7	Very high	96.7	Very high	49 Å²	49	24.1 Å²	24.1	19%	0.185	12%	0.122	C	C	.	.	H	α-helix	trans	-66.4	-38.9	177.8	-175.9	56.1	176.9	174.2	-2.1	112.9	V19 V22 D23 V369 A370 T371 Q376 I377	V19-R373 HydrophobicContact CG1-CG 4.11Å; V19-R373 HydrophobicContact CG2-CB 4.45Å; V19-R373 HydrophobicContact CG2-CG 4.44Å; V22-R373 HydrophobicContact CB-CB 4.46Å; V22-R373 HydrophobicContact CB-CG 4.06Å; V22-R373 HydrophobicContact CG1-CB 4.09Å; V22-R373 HydrophobicContact CG1-CG 3.71Å; D23-R373 VanDerWaalsContact CG-NH2 3.33Å; D23-R373 IonicContact OD1-CZ 2.88Å; D23-R373 IonicContact OD1-NE 2.85Å; D23-R373 PolarHBondContact OD1-NE 3.35Å; D23-R373 IonicContact OD1-NH2 3.25Å; D23-R373 PolarHBondContact OD1-NH2 2.9Å; D23-R373 IonicContact OD2-CZ 2.75Å; D23-R373 IonicContact OD2-NE 3.73Å; D23-R373 IonicContact OD2-NH2 3.5Å; D23-R373 PolarHBondContact OD2-NH2 3.48Å; V369-R373 WeakPolarHBondContact O-CB 3.47Å; V369-R373 PolarHBondContact O-N 2.96Å; A370-R373 WeakPolarHBondContact O-CB 3.44Å; A370-R373 PolarHBondContact O-N 3.4Å; T371-R373 VanDerWaalsContact C-N 3.34Å; T371-R373 PolarHBondContact O-N 2.97Å; R373-Q376 WeakPolarHBondContact O-CB 3.27Å; R373-Q376 PolarHBondContact O-N 2.96Å; R373-I377 HydrophobicContact CG-CD1 4.15Å; R373-I377 WeakPolarHBondContact O-CG1 3.34Å; R373-I377 PolarHBondContact O-N 3.44Å
374	I	98.4	Very high	96.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.2	-47.2	174.6	-66.5	162.2	0	0	0	110.1	V22 L26 V306 I309 L310 M313 L319 A370 T371 Q376 I377 V378	V22-I374 HydrophobicContact CG1-CG1 3.68Å; L26-I374 HydrophobicContact CD1-CB 4.36Å; L26-I374 HydrophobicContact CD1-CG1 3.97Å; L26-I374 HydrophobicContact CD1-CG2 4.18Å; V306-I374 HydrophobicContact CG1-CG2 4.07Å; V306-I374 HydrophobicContact CG2-CG2 4.37Å; I309-I374 HydrophobicContact CB-CG2 4.13Å; I309-I374 HydrophobicContact CD1-CG2 3.93Å; I309-I374 HydrophobicContact CG2-CD1 4.01Å; I309-I374 HydrophobicContact CG2-CG1 4.23Å; I309-I374 HydrophobicContact CG2-CG2 3.79Å; L310-I374 HydrophobicContact CD2-CD1 3.69Å; M313-I374 HydrophobicContact SD-CD1 3.66Å; M313-I374 HydrophobicContact SD-CG1 4.38Å; L319-I374 HydrophobicContact CD1-CD1 4.11Å; A370-I374 VanDerWaalsContact O-CG1 3.26Å; A370-I374 WeakPolarHBondContact O-CG1 3.37Å; A370-I374 PolarHBondContact O-N 2.76Å; T371-I374 PolarHBondContact O-N 3.43Å; I374-Q376 VanDerWaalsContact C-N 3.33Å; I374-Q376 PolarHBondContact O-N 3.33Å; I374-I377 PolarHBondContact O-N 3.41Å; I374-V378 WeakPolarHBondContact O-CG2 3.4Å; I374-V378 PolarHBondContact O-N 3.49Å
375	C	98.3	Very high	97.1	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-53.4	-50.8	175.2	-70	0	0	0	0	111.1	I339 I342 E343 T371 H372 I377 V378 S379	I339-C375 HydrophobicContact CG2-CB 3.91Å; I342-C375 HydrophobicContact CG2-CB 4.29Å; E343-C375 HydrophobicContact CG-CB 4.15Å; E343-C375 VanDerWaalsContact OE1-O 3.09Å; T371-C375 PolarHBondContact O-N 3.05Å; T371-C375 PolarHBondContact O-SG 2.74Å; H372-C375 WeakPolarHBondContact O-CB 3.24Å; H372-C375 PolarHBondContact O-N 3.42Å; C375-I377 VanDerWaalsContact C-N 3.34Å; C375-I377 PolarHBondContact O-N 3.39Å; C375-V378 PolarHBondContact O-N 3.03Å; C375-S379 WeakPolarHBondContact O-CB 3.31Å; C375-S379 PolarHBondContact O-N 3.3Å; C375-S379 PolarHBondContact O-OG 2.95Å
376	Q	97.5	Very high	97.3	Very high	48 Å²	48	16 Å²	16	22%	0.224	8%	0.08	C	C	.	.	H	α-helix	trans	-58.2	-42.1	178.1	-71.7	-177.5	-30.4	0	0	113.2	E343 H372 R373 I374 S379 T380	E343-Q376 HydrophobicContact CG-CG 4.15Å; E343-Q376 WeakPolarHBondContact OE1-CA 3.3Å; E343-Q376 PolarHBondContact OE1-N 3Å; H372-Q376 PolarHBondContact CE1-NE2 3.22Å; H372-Q376 WeakPolarHBondContact O-CG 3.35Å; H372-Q376 PolarHBondContact O-N 3.25Å; H372-Q376 VanDerWaalsContact O-N 3.09Å; R373-Q376 WeakPolarHBondContact O-CB 3.27Å; R373-Q376 PolarHBondContact O-N 2.96Å; I374-Q376 VanDerWaalsContact C-N 3.33Å; I374-Q376 PolarHBondContact O-N 3.33Å; Q376-S379 PolarHBondContact O-OG 3.24Å; Q376-T380 WeakPolarHBondContact O-CB 3.34Å; Q376-T380 PolarHBondContact O-N 3.42Å; Q376-T380 PolarHBondContact O-OG1 3.42Å
377	I	98.4	Very high	97.6	Very high	8 Å²	8	12.1 Å²	12.1	4%	0.041	6%	0.062	C	C	.	.	H	α-helix	trans	-65.9	-46.6	-179.7	-69.9	167.4	0	0	0	110.2	V22 L26 M29 R30 R373 I374 C375 R381	V22-I377 HydrophobicContact CG1-CD1 3.86Å; L26-I377 HydrophobicContact CB-CD1 4.08Å; L26-I377 HydrophobicContact CB-CG2 4.18Å; L26-I377 HydrophobicContact CD1-CB 4.43Å; L26-I377 HydrophobicContact CD1-CD1 3.99Å; L26-I377 HydrophobicContact CD1-CG2 4.28Å; M29-I377 HydrophobicContact CB-CG2 3.67Å; R30-I377 HydrophobicContact CG-CG2 4.19Å; R373-I377 HydrophobicContact CG-CD1 4.15Å; R373-I377 WeakPolarHBondContact O-CG1 3.34Å; R373-I377 PolarHBondContact O-N 3.44Å; I374-I377 PolarHBondContact O-N 3.41Å; C375-I377 VanDerWaalsContact C-N 3.34Å; C375-I377 PolarHBondContact O-N 3.39Å; I377-R381 VanDerWaalsContact O-CB 3.29Å; I377-R381 WeakPolarHBondContact O-CB 3.35Å; I377-R381 PolarHBondContact O-N 2.96Å
378	V	98.5	Very high	97.8	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-64	-47.9	-179.7	173.7	0	0	0	0	111.2	M29 M302 L305 V306 I309 I374 C375 R381 S382	M29-V378 HydrophobicContact SD-CG2 4.31Å; M302-V378 HydrophobicContact CB-CG1 4.25Å; M302-V378 HydrophobicContact CG-CG1 4.27Å; L305-V378 HydrophobicContact CB-CG1 4.35Å; V306-V378 HydrophobicContact CG2-CB 4Å; V306-V378 HydrophobicContact CG2-CG1 4.14Å; V306-V378 HydrophobicContact CG2-CG2 3.87Å; I309-V378 HydrophobicContact CD1-CG2 3.71Å; I374-V378 WeakPolarHBondContact O-CG2 3.4Å; I374-V378 PolarHBondContact O-N 3.49Å; C375-V378 PolarHBondContact O-N 3.03Å; V378-R381 PolarHBondContact O-N 2.68Å; V378-S382 PolarHBondContact O-N 3.22Å
379	S	97.9	Very high	97.9	Very high	4 Å²	4	11.5 Å²	11.5	3%	0.028	6%	0.058	C	C	.	.	H	α-helix	trans	-68.3	-38	-179.6	70.6	0	0	0	0	112.3	E343 C375 Q376 S382 A383	E343-S379 VanDerWaalsContact OE1-CB 3.3Å; E343-S379 WeakPolarHBondContact OE1-CB 3.46Å; E343-S379 PolarHBondContact OE1-OG 2.83Å; E343-S379 PolarHBondContact OE2-OG 3.18Å; C375-S379 WeakPolarHBondContact O-CB 3.31Å; C375-S379 PolarHBondContact O-N 3.3Å; C375-S379 PolarHBondContact O-OG 2.95Å; Q376-S379 PolarHBondContact O-OG 3.24Å; S379-S382 PolarHBondContact O-N 2.82Å; S379-A383 PolarHBondContact O-N 3.25Å
380	T	98.2	Very high	98.1	Very high	63 Å²	63	10.8 Å²	10.8	39%	0.387	5%	0.054	S	C	.	.	H	α-helix	trans	-66.4	-42.1	175	-63.1	0	0	0	0	111.4	Q376 A383 S384	Q376-T380 WeakPolarHBondContact O-CB 3.34Å; Q376-T380 PolarHBondContact O-N 3.42Å; Q376-T380 PolarHBondContact O-OG1 3.42Å; T380-A383 PolarHBondContact O-N 3.13Å; T380-S384 VanDerWaalsContact O-CB 3.31Å; T380-S384 WeakPolarHBondContact O-CB 3.2Å; T380-S384 PolarHBondContact O-N 3.21Å; T380-S384 PolarHBondContact O-OG 2.93Å
381	R	98.4	Very high	98.1	Very high	6 Å²	6	10.9 Å²	10.9	2%	0.023	6%	0.055	C	C	.	.	H	α-helix	trans	-58.3	-48.9	174.3	-175.2	179.7	71.3	155.1	2.9	110.7	M29 L31 D278 I377 V378 A383 S384 L385	M29-R381 WeakPolarHBondContact O-CD 3.2Å; M29-R381 WeakPolarHBondContact O-CG 3.42Å; L31-R381 HydrophobicContact CD1-CG 4.15Å; L31-R381 HydrophobicContact CG-CG 4.42Å; D278-R381 IonicContact OD1-CZ 2.74Å; D278-R381 IonicContact OD1-NH1 3.64Å; D278-R381 PolarHBondContact OD1-NH1 3.27Å; D278-R381 IonicContact OD1-NH2 3.76Å; D278-R381 PolarHBondContact OD1-NH2 3.1Å; D278-R381 IonicContact OD2-CZ 2.82Å; D278-R381 IonicContact OD2-NH1 3.81Å; D278-R381 PolarHBondContact OD2-NH1 3.42Å; D278-R381 IonicContact OD2-NH2 3.33Å; I377-R381 VanDerWaalsContact O-CB 3.29Å; I377-R381 WeakPolarHBondContact O-CB 3.35Å; I377-R381 PolarHBondContact O-N 2.96Å; V378-R381 PolarHBondContact O-N 2.68Å; R381-A383 PolarHBondContact O-N 3.05Å; R381-S384 PolarHBondContact O-N 3.42Å; R381-S384 VanDerWaalsContact O-N 3.12Å; R381-L385 HydrophobicContact CG-CD1 4.07Å; R381-L385 HydrophobicContact CG-CG 4.38Å; R381-L385 WeakPolarHBondContact O-CG 3.4Å; R381-L385 PolarHBondContact O-N 3.4Å
382	S	98.4	Very high	98.2	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-55.8	-50.4	177.3	168.9	0	0	0	0	112.1	I297 V378 S379 S384 L385 C386 F423	I297-S382 VanDerWaalsContact C-OG 3.32Å; I297-S382 WeakPolarHBondContact CA-OG 3.47Å; I297-S382 WeakPolarHBondContact CG2-OG 3.42Å; I297-S382 PolarHBondContact O-OG 2.9Å; V378-S382 PolarHBondContact O-N 3.22Å; S379-S382 PolarHBondContact O-N 2.82Å; S382-S384 VanDerWaalsContact C-N 3.27Å; S382-S384 PolarHBondContact O-N 3.04Å; S382-L385 PolarHBondContact O-N 2.85Å; S382-C386 PolarHBondContact O-N 3.42Å; S382-C386 VanDerWaalsContact O-N 3.09Å; S382-F423 VanDerWaalsContact OG-CE2 3.29Å; S382-F423 WeakPolarHBondContact OG-CE2 3.42Å
383	A	98.4	Very high	98.3	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-62.4	-34.2	177.3	0	0	0	0	0	112.8	S379 T380 R381 A387 F423 C426 L427	S379-A383 PolarHBondContact O-N 3.25Å; T380-A383 PolarHBondContact O-N 3.13Å; R381-A383 PolarHBondContact O-N 3.05Å; A383-A387 WeakPolarHBondContact O-CB 3.43Å; A383-A387 PolarHBondContact O-N 3.4Å; A383-F423 HydrophobicContact CB-CD2 3.96Å; A383-F423 HydrophobicContact CB-CE1 4.46Å; A383-F423 HydrophobicContact CB-CE2 3.72Å; A383-F423 HydrophobicContact CB-CG 4.42Å; A383-F423 HydrophobicContact CB-CZ 3.99Å; A383-C426 HydrophobicContact CB-CB 3.89Å; A383-L427 HydrophobicContact CB-CB 4.36Å; A383-L427 WeakPolarHBondContact O-CD1 3.43Å
384	S	98.5	Very high	98.3	Very high	10 Å²	10	6.8 Å²	6.8	7%	0.07	4%	0.038	C	C	.	.	H	α-helix	trans	-76.8	-38.7	-177.7	-56.3	0	0	0	0	112.3	T380 R381 S382 A387 A388	T380-S384 VanDerWaalsContact O-CB 3.31Å; T380-S384 WeakPolarHBondContact O-CB 3.2Å; T380-S384 PolarHBondContact O-N 3.21Å; T380-S384 PolarHBondContact O-OG 2.93Å; R381-S384 PolarHBondContact O-N 3.42Å; R381-S384 VanDerWaalsContact O-N 3.12Å; S382-S384 VanDerWaalsContact C-N 3.27Å; S382-S384 PolarHBondContact O-N 3.04Å; S384-A387 WeakPolarHBondContact O-CB 3.39Å; S384-A387 PolarHBondContact O-N 3.07Å; S384-A388 PolarHBondContact O-N 3.38Å
385	L	98.6	Very high	98.3	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-62.7	-45.4	171.9	-72.2	173.9	0	0	0	111.4	L31 I39 I273 F293 M296 I297 R381 S382 A387 A388 T389	L31-L385 HydrophobicContact CD1-CD2 3.41Å; L31-L385 VanDerWaalsContact CD1-CD2 3.41Å; L31-L385 HydrophobicContact CD1-CG 3.84Å; I39-L385 HydrophobicContact CD1-CD2 3.74Å; I273-L385 HydrophobicContact CD1-CD2 3.97Å; F293-L385 HydrophobicContact CE2-CB 3.91Å; F293-L385 HydrophobicContact CE2-CD2 4.2Å; F293-L385 HydrophobicContact CE2-CG 4.46Å; F293-L385 HydrophobicContact CZ-CB 4.11Å; M296-L385 HydrophobicContact CB-CD1 3.78Å; M296-L385 HydrophobicContact CE-CD1 4.45Å; M296-L385 HydrophobicContact SD-CD1 4.34Å; I297-L385 HydrophobicContact CD1-CB 3.86Å; I297-L385 HydrophobicContact CG1-CB 4.02Å; I297-L385 HydrophobicContact CG1-CD1 4.31Å; R381-L385 HydrophobicContact CG-CD1 4.07Å; R381-L385 HydrophobicContact CG-CG 4.38Å; R381-L385 WeakPolarHBondContact O-CG 3.4Å; R381-L385 PolarHBondContact O-N 3.4Å; S382-L385 PolarHBondContact O-N 2.85Å; L385-A387 VanDerWaalsContact C-N 3.26Å; L385-A387 PolarHBondContact O-N 3.12Å; L385-A388 PolarHBondContact O-N 2.86Å; L385-T389 PolarHBondContact O-N 3.43Å
386	C	97.8	Very high	98.2	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-60.5	-36.6	173.5	-174.7	0	0	0	0	111.9	S382 T389 L390 L427	S382-C386 PolarHBondContact O-N 3.42Å; S382-C386 VanDerWaalsContact O-N 3.09Å; C386-T389 PolarHBondContact O-OG1 3.26Å; C386-L390 VanDerWaalsContact O-CG 3.28Å; C386-L390 WeakPolarHBondContact O-CG 3.46Å; C386-L390 PolarHBondContact O-N 2.92Å; C386-L390 VanDerWaalsContact O-N 3.16Å; C386-L427 HydrophobicContact CB-CD1 3.91Å
387	A	98.6	Very high	98.1	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-66.4	-38.8	175.9	0	0	0	0	0	112.7	A383 S384 L385 L390 A391 L427 T430 V431 L434	A383-A387 WeakPolarHBondContact O-CB 3.43Å; A383-A387 PolarHBondContact O-N 3.4Å; S384-A387 WeakPolarHBondContact O-CB 3.39Å; S384-A387 PolarHBondContact O-N 3.07Å; L385-A387 VanDerWaalsContact C-N 3.26Å; L385-A387 PolarHBondContact O-N 3.12Å; A387-L390 PolarHBondContact O-N 2.75Å; A387-A391 WeakPolarHBondContact O-CB 3.27Å; A387-A391 PolarHBondContact O-N 2.75Å; A387-L427 HydrophobicContact CB-CD1 3.9Å; A387-T430 HydrophobicContact CB-CG2 3.48Å; A387-T430 VanDerWaalsContact CB-CG2 3.48Å; A387-V431 HydrophobicContact CB-CG2 3.64Å; A387-L434 HydrophobicContact CB-CD1 4.38Å
388	A	98.6	Very high	97.9	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-63.2	-43.2	179.8	0	0	0	0	0	112.2	L36 I39 S40 S384 L385 A391 A392 L434	L36-A388 HydrophobicContact CB-CB 4.24Å; L36-A388 HydrophobicContact CD2-CB 4.18Å; L36-A388 WeakPolarHBondContact O-CB 3.31Å; I39-A388 HydrophobicContact CB-CB 4.25Å; I39-A388 HydrophobicContact CG2-CB 4Å; S40-A388 WeakPolarHBondContact CB-O 3.29Å; S40-A388 PolarHBondContact OG-O 3.35Å; S384-A388 PolarHBondContact O-N 3.38Å; L385-A388 PolarHBondContact O-N 2.86Å; A388-A391 WeakPolarHBondContact O-CB 3.27Å; A388-A391 PolarHBondContact O-N 3.09Å; A388-A392 PolarHBondContact O-N 2.81Å; A388-L434 HydrophobicContact CB-CD1 4.42Å
389	T	98.5	Very high	97.6	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-72.2	-38	177.4	52.6	0	0	0	0	112.1	F43 W261 F264 F293 L385 C386 A391 A392 V393	F43-T389 HydrophobicContact CB-CG2 4.03Å; F43-T389 HydrophobicContact CD1-CG2 3.89Å; F43-T389 HydrophobicContact CD2-CG2 3.68Å; F43-T389 HydrophobicContact CE1-CG2 4.27Å; F43-T389 HydrophobicContact CE2-CG2 4.08Å; F43-T389 HydrophobicContact CG-CG2 3.57Å; F43-T389 HydrophobicContact CZ-CG2 4.36Å; W261-T389 WeakPolarHBondContact CZ3-OG1 3.45Å; F264-T389 HydrophobicContact CD1-CG2 4.24Å; F264-T389 HydrophobicContact CE1-CG2 4.33Å; F293-T389 HydrophobicContact CE1-CG2 3.66Å; F293-T389 HydrophobicContact CE2-CG2 4.18Å; F293-T389 HydrophobicContact CZ-CG2 3.31Å; L385-T389 PolarHBondContact O-N 3.43Å; C386-T389 PolarHBondContact O-OG1 3.26Å; T389-A391 VanDerWaalsContact C-N 3.3Å; T389-A391 PolarHBondContact O-N 2.77Å; T389-A392 WeakPolarHBondContact O-CB 3.49Å; T389-A392 PolarHBondContact O-N 3.03Å; T389-V393 WeakPolarHBondContact O-CG2 3.1Å; T389-V393 PolarHBondContact O-N 3.38Å
390	L	98.6	Very high	97.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.6	-35.9	172.4	-71.3	173.2	0	0	0	112.7	I226 L228 W261 C386 A387 A392 V393 L394 I410 L427 V431 F442	I226-L390 HydrophobicContact CG2-CD2 4.11Å; L228-L390 HydrophobicContact CD1-CD2 4.46Å; L228-L390 HydrophobicContact CD2-CD1 3.85Å; W261-L390 HydrophobicContact CH2-CD2 3.93Å; W261-L390 HydrophobicContact CH2-CG 4.02Å; W261-L390 HydrophobicContact CZ3-CD2 3.99Å; W261-L390 HydrophobicContact CZ3-CG 4.19Å; C386-L390 VanDerWaalsContact O-CG 3.28Å; C386-L390 WeakPolarHBondContact O-CG 3.46Å; C386-L390 PolarHBondContact O-N 2.92Å; C386-L390 VanDerWaalsContact O-N 3.16Å; A387-L390 PolarHBondContact O-N 2.75Å; L390-A392 VanDerWaalsContact C-N 3.3Å; L390-A392 PolarHBondContact O-N 2.98Å; L390-V393 PolarHBondContact O-N 3.25Å; L390-L394 WeakPolarHBondContact O-CB 3.23Å; L390-L394 WeakPolarHBondContact O-CG 3.44Å; L390-L394 PolarHBondContact O-N 3.4Å; L390-I410 HydrophobicContact CD1-CD1 4.36Å; L390-I410 HydrophobicContact CD2-CD1 4.34Å; L390-L427 HydrophobicContact CD1-CD1 4.02Å; L390-V431 HydrophobicContact CB-CG2 4.2Å; L390-V431 HydrophobicContact CD1-CG2 4.15Å; L390-F442 HydrophobicContact CD1-CE1 4.44Å
391	A	98.4	Very high	96.5	Very high	2 Å²	2	14 Å²	14	2%	0.017	7%	0.065	C	C	.	.	H	α-helix	trans	-59.7	-41.5	174.9	0	0	0	0	0	111.7	A387 A388 T389 Q395 L434 V435	A387-A391 WeakPolarHBondContact O-CB 3.27Å; A387-A391 PolarHBondContact O-N 2.75Å; A388-A391 WeakPolarHBondContact O-CB 3.27Å; A388-A391 PolarHBondContact O-N 3.09Å; T389-A391 VanDerWaalsContact C-N 3.3Å; T389-A391 PolarHBondContact O-N 2.77Å; A391-Q395 WeakPolarHBondContact O-CB 3.47Å; A391-Q395 PolarHBondContact O-N 2.89Å; A391-L434 HydrophobicContact CB-CB 3.95Å; A391-L434 HydrophobicContact CB-CD1 4.29Å; A391-V435 HydrophobicContact CB-CG1 3.78Å; A391-V435 HydrophobicContact CB-CG2 4.48Å
392	A	98.4	Very high	95.9	Very high	1 Å²	1	17 Å²	17	1%	0.008	10%	0.098	C	C	.	.	H	α-helix	trans	-63.1	-43.4	175.2	0	0	0	0	0	112.3	S40 F43 R44 A388 T389 L390 Q395 R396	S40-A392 WeakPolarHBondContact O-CB 3.24Å; S40-A392 PolarHBondContact OG-N 2.94Å; F43-A392 HydrophobicContact CB-CB 4.44Å; F43-A392 HydrophobicContact CD1-CB 3.9Å; R44-A392 HydrophobicContact CB-CB 4.18Å; A388-A392 PolarHBondContact O-N 2.81Å; T389-A392 WeakPolarHBondContact O-CB 3.49Å; T389-A392 PolarHBondContact O-N 3.03Å; L390-A392 VanDerWaalsContact C-N 3.3Å; L390-A392 PolarHBondContact O-N 2.98Å; A392-Q395 PolarHBondContact O-N 3.02Å; A392-R396 WeakPolarHBondContact O-CB 3.36Å; A392-R396 PolarHBondContact O-N 2.88Å
393	V	98.4	Very high	95.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.4	-45.5	178.2	179.5	0	0	0	0	111.5	F43 M47 I226 Y238 M259 T389 L390 Q395 R396 I397	F43-V393 HydrophobicContact CE1-CG2 4.11Å; M47-V393 HydrophobicContact CE-CG2 4.05Å; M47-V393 HydrophobicContact SD-CG2 4.06Å; I226-V393 HydrophobicContact CD1-CB 4.42Å; I226-V393 HydrophobicContact CD1-CG1 3.72Å; I226-V393 HydrophobicContact CG1-CG1 4.08Å; Y238-V393 HydrophobicContact CD1-CG1 4.03Å; Y238-V393 HydrophobicContact CD2-CG1 4.12Å; Y238-V393 HydrophobicContact CG-CG1 3.68Å; M259-V393 HydrophobicContact CE-CG2 3.79Å; M259-V393 HydrophobicContact SD-CG2 3.56Å; M259-V393 VanDerWaalsContact SD-CG2 3.56Å; T389-V393 WeakPolarHBondContact O-CG2 3.1Å; T389-V393 PolarHBondContact O-N 3.38Å; L390-V393 PolarHBondContact O-N 3.25Å; V393-Q395 VanDerWaalsContact C-N 3.33Å; V393-Q395 PolarHBondContact O-N 2.88Å; V393-R396 WeakPolarHBondContact O-CB 3.36Å; V393-R396 PolarHBondContact O-N 3.01Å; V393-I397 HydrophobicContact CG1-CD1 4.1Å; V393-I397 WeakPolarHBondContact O-CG1 3.47Å; V393-I397 PolarHBondContact O-N 3.36Å
394	L	98.2	Very high	94.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.1	-42.2	177.6	-73.1	164.5	0	0	0	111.6	I226 L390 R396 I397 K398 L406 I410 V431 V435 V440	I226-L394 HydrophobicContact CD1-CD2 3.7Å; I226-L394 HydrophobicContact CD1-CG 4Å; L390-L394 WeakPolarHBondContact O-CB 3.23Å; L390-L394 WeakPolarHBondContact O-CG 3.44Å; L390-L394 PolarHBondContact O-N 3.4Å; L394-R396 VanDerWaalsContact C-N 3.32Å; L394-R396 PolarHBondContact O-N 3.36Å; L394-I397 PolarHBondContact O-N 2.96Å; L394-K398 WeakPolarHBondContact O-CB 3.12Å; L394-K398 PolarHBondContact O-N 2.98Å; L394-L406 HydrophobicContact CB-CD2 4.44Å; L394-L406 HydrophobicContact CD2-CD2 4.03Å; L394-L406 VanDerWaalsContact O-CD2 3.3Å; L394-L406 WeakPolarHBondContact O-CD2 3.22Å; L394-I410 HydrophobicContact CD1-CD1 4.38Å; L394-V431 HydrophobicContact CD1-CG1 3.75Å; L394-V435 HydrophobicContact CD1-CG2 3.84Å; L394-V440 HydrophobicContact CD1-CG2 3.64Å; L394-V440 HydrophobicContact CD2-CG2 3.97Å; L394-V440 HydrophobicContact CG-CG2 4.47Å
395	Q	97	Very high	94.4	Very high	56 Å²	56	36.7 Å²	36.7	26%	0.262	18%	0.182	S	C	.	.	H	α-helix	trans	-63	-40.1	175.7	-174.2	60.5	36.1	0	0	111.6	A391 A392 V393 K398 E399	A391-Q395 WeakPolarHBondContact O-CB 3.47Å; A391-Q395 PolarHBondContact O-N 2.89Å; A392-Q395 PolarHBondContact O-N 3.02Å; V393-Q395 VanDerWaalsContact C-N 3.33Å; V393-Q395 PolarHBondContact O-N 2.88Å; Q395-K398 PolarHBondContact O-N 3.35Å; Q395-E399 WeakPolarHBondContact CG-OE1 3.49Å; Q395-E399 PolarHBondContact NE2-OE1 3.37Å; Q395-E399 WeakPolarHBondContact O-CG 3.27Å; Q395-E399 PolarHBondContact O-N 3.34Å
396	R	96.6	Very high	94.2	Very high	32 Å²	32	36.7 Å²	36.7	12%	0.121	18%	0.182	C	C	.	.	H	α-helix	trans	-60.5	-48	174.2	177.6	61.4	171.8	-168.2	0.9	112	M47 Y238 E240 H244 A392 V393 L394 K398 E399 N400	M47-R396 HydrophobicContact CE-CB 4.24Å; M47-R396 HydrophobicContact CE-CG 4.11Å; Y238-R396 HydrophobicContact CE2-CG 4.23Å; E240-R396 IonicContact OE1-NE 2.97Å; E240-R396 IonicContact OE1-NH2 3.31Å; E240-R396 IonicContact OE2-CZ 3.53Å; E240-R396 IonicContact OE2-NE 3.17Å; E240-R396 PolarHBondContact OE2-NE 2.91Å; E240-R396 IonicContact OE2-NH2 3.17Å; E240-R396 PolarHBondContact OE2-NH2 3.13Å; H244-R396 PolarHBondContact ND1-NH2 3.2Å; A392-R396 WeakPolarHBondContact O-CB 3.36Å; A392-R396 PolarHBondContact O-N 2.88Å; V393-R396 WeakPolarHBondContact O-CB 3.36Å; V393-R396 PolarHBondContact O-N 3.01Å; L394-R396 VanDerWaalsContact C-N 3.32Å; L394-R396 PolarHBondContact O-N 3.36Å; R396-K398 PolarHBondContact O-N 2.89Å; R396-E399 PolarHBondContact O-N 3.42Å; R396-N400 VanDerWaalsContact O-CG 3.22Å; R396-N400 PolarHBondContact O-N 3.18Å; R396-N400 PolarHBondContact O-OD1 3.14Å
397	I	95.4	Very high	94.1	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.015	21%	0.213	C	C	.	.	H	α-helix	trans	-62.5	-43.3	178	-65.1	169.1	0	0	0	111	E225 I226 Y238 V393 L394 E399 N400 K401 L406	E225-I397 HydrophobicContact CB-CD1 4.29Å; I226-I397 HydrophobicContact CD1-CD1 3.83Å; I226-I397 HydrophobicContact CG1-CD1 3.7Å; Y238-I397 HydrophobicContact CD2-CD1 4.15Å; Y238-I397 HydrophobicContact CD2-CG1 3.89Å; V393-I397 HydrophobicContact CG1-CD1 4.1Å; V393-I397 WeakPolarHBondContact O-CG1 3.47Å; V393-I397 PolarHBondContact O-N 3.36Å; L394-I397 PolarHBondContact O-N 2.96Å; I397-E399 VanDerWaalsContact C-N 3.31Å; I397-E399 PolarHBondContact O-N 2.96Å; I397-N400 PolarHBondContact O-N 2.8Å; I397-K401 HydrophobicContact CG2-CD 4.35Å; I397-K401 WeakPolarHBondContact O-CG 3.27Å; I397-K401 PolarHBondContact O-N 3.28Å; I397-K401 VanDerWaalsContact O-N 3.09Å; I397-L406 HydrophobicContact CB-CD2 4.05Å; I397-L406 HydrophobicContact CG2-CD1 3.85Å; I397-L406 HydrophobicContact CG2-CD2 3.96Å
398	K	94.7	Very high	93.9	Very high	21 Å²	21	45 Å²	45	9%	0.091	21%	0.214	C	C	.	.	H	α-helix	trans	-56.2	-46.7	177	177.5	177.5	158.1	172.1	0	111.3	L394 Q395 R396 K401 G402 E403 E404 L406 D437	L394-K398 WeakPolarHBondContact O-CB 3.12Å; L394-K398 PolarHBondContact O-N 2.98Å; Q395-K398 PolarHBondContact O-N 3.35Å; R396-K398 PolarHBondContact O-N 2.89Å; K398-K401 PolarHBondContact O-N 3.35Å; K398-G402 PolarHBondContact O-N 3.01Å; K398-G402 VanDerWaalsContact O-N 3.1Å; K398-E403 VanDerWaalsContact CE-O 3.27Å; K398-E403 WeakPolarHBondContact CE-O 3.45Å; K398-E403 VanDerWaalsContact CG-O 3.26Å; K398-E403 WeakPolarHBondContact CG-O 3.16Å; K398-E403 PolarHBondContact O-N 3.33Å; K398-E404 WeakPolarHBondContact CE-O 3.23Å; K398-E404 PolarHBondContact NZ-O 2.96Å; K398-L406 HydrophobicContact CB-CB 3.93Å; K398-L406 HydrophobicContact CB-CD2 4.15Å; K398-L406 HydrophobicContact CG-CB 4.19Å; K398-D437 VanDerWaalsContact NZ-CB 3.26Å; K398-D437 IonicContact NZ-OD2 2.72Å; K398-D437 PolarHBondContact NZ-OD2 3.19Å; K398-D437 VanDerWaalsContact NZ-OD2 3.07Å
399	E	92.1	Very high	93.8	Very high	75 Å²	75	45.1 Å²	45.1	35%	0.35	22%	0.215	S	C	.	.	H	α-helix	trans	-67.7	-40.9	179	-72.5	168.3	-167.8	0	0	112.8	R44 Q395 R396 I397 K401 G402	R44-E399 IonicContact CZ-OE1 3.27Å; R44-E399 IonicContact CZ-OE2 3.06Å; R44-E399 VanDerWaalsContact NH1-CD 3.3Å; R44-E399 IonicContact NH1-OE1 3.77Å; R44-E399 PolarHBondContact NH1-OE1 2.87Å; R44-E399 IonicContact NH1-OE2 2.63Å; R44-E399 PolarHBondContact NH1-OE2 3.21Å; R44-E399 VanDerWaalsContact NH1-OE2 3.16Å; R44-E399 IonicContact NH2-OE1 2.68Å; R44-E399 PolarHBondContact NH2-OE1 2.55Å; R44-E399 IonicContact NH2-OE2 2.82Å; R44-E399 PolarHBondContact NH2-OE2 2.76Å; Q395-E399 WeakPolarHBondContact CG-OE1 3.49Å; Q395-E399 PolarHBondContact NE2-OE1 3.37Å; Q395-E399 WeakPolarHBondContact O-CG 3.27Å; Q395-E399 PolarHBondContact O-N 3.34Å; R396-E399 PolarHBondContact O-N 3.42Å; I397-E399 VanDerWaalsContact C-N 3.31Å; I397-E399 PolarHBondContact O-N 2.96Å; E399-K401 PolarHBondContact O-N 2.86Å; E399-G402 PolarHBondContact O-N 3.44Å
400	N	87.6	Confident	93.8	Very high	18 Å²	18	45.1 Å²	45.1	10%	0.096	22%	0.215	C	C	.	.	H	α-helix	trans	-57.3	-39.7	175.4	-73.7	-11.3	0	0	0	112.2	E240 E241 H244 R396 I397	E240-N400 PolarHBondContact OE1-ND2 2.87Å; E241-N400 HydrophobicContact CG-CB 3.96Å; H244-N400 PolarHBondContact CE1-OD1 3.1Å; H244-N400 PolarHBondContact ND1-OD1 2.84Å; R396-N400 VanDerWaalsContact O-CG 3.22Å; R396-N400 PolarHBondContact O-N 3.18Å; R396-N400 PolarHBondContact O-OD1 3.14Å; I397-N400 PolarHBondContact O-N 2.8Å
401	K	84.4	Confident	93.8	Very high	69 Å²	69	45.1 Å²	45.1	30%	0.3	22%	0.215	S	C	.	.	H	α-helix	trans	-78.3	-17.1	177.2	-67.6	-175.9	179.2	179	0	113.8	E225 I397 K398 E399 E403 L406	E225-K401 WeakPolarHBondContact OE1-CE 3.43Å; E225-K401 IonicContact OE1-NZ 2.8Å; E225-K401 PolarHBondContact OE1-NZ 3.44Å; E225-K401 IonicContact OE2-NZ 3.78Å; E225-K401 PolarHBondContact OE2-NZ 3.26Å; I397-K401 HydrophobicContact CG2-CD 4.35Å; I397-K401 WeakPolarHBondContact O-CG 3.27Å; I397-K401 PolarHBondContact O-N 3.28Å; I397-K401 VanDerWaalsContact O-N 3.09Å; K398-K401 PolarHBondContact O-N 3.35Å; E399-K401 PolarHBondContact O-N 2.86Å; K401-E403 VanDerWaalsContact C-N 3.26Å; K401-E403 HydrophobicContact CB-CB 4.42Å; K401-E403 HydrophobicContact CB-CG 3.89Å; K401-E403 PolarHBondContact O-N 3.22Å; K401-L406 HydrophobicContact CD-CD1 3.91Å
402	G	85.7	Confident	93.7	Very high	70 Å²	70	45 Å²	45	72%	0.722	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.3	28	-175.2	0	0	0	0	0	113.4	K398 E399	K398-G402 PolarHBondContact O-N 3.01Å; K398-G402 VanDerWaalsContact O-N 3.1Å; E399-G402 PolarHBondContact O-N 3.44Å
403	E	83.8	Confident	93.4	Very high	94 Å²	94	46 Å²	46	44%	0.439	22%	0.219	S	C	.	.			trans	-97.1	143.3	-176.4	-69.5	175.5	177.8	0	0	111.8	K398 K401 R405	K398-E403 VanDerWaalsContact CE-O 3.27Å; K398-E403 WeakPolarHBondContact CE-O 3.45Å; K398-E403 VanDerWaalsContact CG-O 3.26Å; K398-E403 WeakPolarHBondContact CG-O 3.16Å; K398-E403 PolarHBondContact O-N 3.33Å; K401-E403 VanDerWaalsContact C-N 3.26Å; K401-E403 HydrophobicContact CB-CB 4.42Å; K401-E403 HydrophobicContact CB-CG 3.89Å; K401-E403 PolarHBondContact O-N 3.22Å; E403-R405 VanDerWaalsContact C-N 3.34Å
404	E	88.1	Confident	93.1	Very high	177 Å²	177	46.4 Å²	46.4	83%	0.827	22%	0.223	S	C	*	.	S	Bend	trans	-69.8	-32.4	174.1	-68.8	-169.4	166	0	0	112.6	K398	K398-E404 WeakPolarHBondContact CE-O 3.23Å; K398-E404 PolarHBondContact NZ-O 2.96Å
405	R	93.3	Very high	92.7	Very high	151 Å²	151	48.8 Å²	48.8	57%	0.57	24%	0.24	S	C	*	.	S	Bend	trans	-132.6	134.6	176.3	-68.8	-178.5	66	142.8	1.4	109.5	E403 D437 D439	E403-R405 VanDerWaalsContact C-N 3.34Å; R405-D437 WeakPolarHBondContact CA-O 3.47Å; R405-D439 IonicContact CZ-OD2 3.19Å; R405-D439 IonicContact NE-OD2 2.98Å; R405-D439 IonicContact NH2-OD1 3.94Å; R405-D439 PolarHBondContact NH2-OD1 3.17Å; R405-D439 IonicContact NH2-OD2 3.81Å; R405-D439 PolarHBondContact NH2-OD2 3.16Å
406	L	94	Very high	92.6	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	130.1	179.5	175.5	68	0	0	0	110.1	L394 I397 K398 K401 D437 C438 D439	L394-L406 HydrophobicContact CB-CD2 4.44Å; L394-L406 HydrophobicContact CD2-CD2 4.03Å; L394-L406 VanDerWaalsContact O-CD2 3.3Å; L394-L406 WeakPolarHBondContact O-CD2 3.22Å; I397-L406 HydrophobicContact CB-CD2 4.05Å; I397-L406 HydrophobicContact CG2-CD1 3.85Å; I397-L406 HydrophobicContact CG2-CD2 3.96Å; K398-L406 HydrophobicContact CB-CB 3.93Å; K398-L406 HydrophobicContact CB-CD2 4.15Å; K398-L406 HydrophobicContact CG-CB 4.19Å; K401-L406 HydrophobicContact CD-CD1 3.91Å; L406-D437 PolarHBondContact N-O 3.01Å; L406-D437 VanDerWaalsContact N-O 3.14Å; L406-C438 CarbonylContact O-C 3.6Å; L406-C438 WeakPolarHBondContact O-CA 3.21Å; L406-D439 PolarHBondContact O-N 2.58Å
407	R	94.8	Very high	92.5	Very high	173 Å²	173	45 Å²	45	65%	0.653	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	123.7	162.6	-177.1	178.4	176.8	177.7	-1.9	108.9
408	S	94.9	Very high	92.4	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.007	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	152.5	-179.1	-165.6	0	0	0	0	111.8	E225 D439 V440 R441	E225-S408 PolarHBondContact OE2-OG 2.98Å; S408-D439 PolarHBondContact N-O 3.21Å; S408-V440 WeakPolarHBondContact O-CA 3.25Å; S408-R441 PolarHBondContact O-N 2.97Å
409	T	97.8	Very high	92.3	Very high	4 Å²	4	54.5 Å²	54.5	3%	0.025	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	135.8	174.5	-65.7	0	0	0	0	109.8	D221 N223 C224 E225 R441 L443	D221-T409 HydrophobicContact CB-CG2 4.39Å; D221-T409 PolarHBondContact OD2-OG1 3.29Å; N223-T409 PolarHBondContact O-N 2.93Å; C224-T409 WeakPolarHBondContact CA-O 3.25Å; C224-T409 HydrophobicContact CB-CG2 4.15Å; E225-T409 PolarHBondContact N-O 3.49Å; T409-R441 CarbonylContact C-O 3.53Å; T409-R441 VanDerWaalsContact CA-O 3.31Å; T409-R441 WeakPolarHBondContact CA-O 3.45Å; T409-R441 HydrophobicContact CG2-CB 4.41Å; T409-R441 HydrophobicContact CG2-CG 4.47Å; T409-L443 HydrophobicContact CG2-CB 3.76Å; T409-L443 HydrophobicContact CG2-CD2 4.49Å
410	I	98.3	Very high	92.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	112.2	172.7	-54.1	-177.1	0	0	0	107.6	I226 L228 L390 L394 V412 V440 R441 F442 L443	I226-I410 HydrophobicContact CB-CB 4.43Å; I226-I410 HydrophobicContact CB-CG1 4.11Å; I226-I410 HydrophobicContact CB-CG2 4.17Å; I226-I410 HydrophobicContact CD1-CD1 4.21Å; I226-I410 HydrophobicContact CD1-CG1 4.06Å; I226-I410 HydrophobicContact CG2-CG1 4.48Å; I226-I410 HydrophobicContact CG2-CG2 3.94Å; L228-I410 HydrophobicContact CB-CG2 3.9Å; L228-I410 HydrophobicContact CD2-CG2 4.41Å; L390-I410 HydrophobicContact CD1-CD1 4.36Å; L390-I410 HydrophobicContact CD2-CD1 4.34Å; L394-I410 HydrophobicContact CD1-CD1 4.38Å; I410-V412 HydrophobicContact CG2-CG2 3.93Å; I410-V440 HydrophobicContact CD1-CG1 3.59Å; I410-V440 HydrophobicContact CG1-CG1 3.76Å; I410-R441 PolarHBondContact N-O 3.44Å; I410-F442 HydrophobicContact CB-CD1 3.96Å; I410-F442 HydrophobicContact CB-CE1 4.18Å; I410-F442 HydrophobicContact CD1-CD1 4.34Å; I410-F442 HydrophobicContact CD1-CE1 3.71Å; I410-F442 HydrophobicContact CD1-CZ 3.95Å; I410-F442 HydrophobicContact CG1-CE1 4.43Å; I410-F442 HydrophobicContact CG2-CD1 4.24Å; I410-F442 HydrophobicContact CG2-CE1 4.32Å; I410-F442 WeakPolarHBondContact O-CA 3.48Å; I410-L443 PolarHBondContact O-N 2.9Å
411	G	97	Very high	92.8	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	127.7	168.8	0	0	0	0	0	109.8	C217 C224 I226 G227 L228 L443	C217-G411 VanDerWaalsContact SG-CA 3.51Å; C224-G411 PolarHBondContact SG-N 3.3Å; I226-G411 PolarHBondContact O-N 2.9Å; G227-G411 CarbonylContact C-O 3.51Å; L228-G411 PolarHBondContact N-O 2.81Å; G411-L443 CarbonylContact C-O 3.5Å; G411-L443 WeakPolarHBondContact CA-O 3.49Å
412	V	96.5	Very high	93.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.6	-176.3	-164.6	0	0	0	0	112.1	L228 I410 Y417 F442 L443 S445	L228-V412 HydrophobicContact CB-CG1 4.27Å; L228-V412 HydrophobicContact CB-CG2 4.26Å; L228-V412 HydrophobicContact CD2-CG1 3.89Å; L228-V412 HydrophobicContact CD2-CG2 4.06Å; L228-V412 HydrophobicContact CG-CG1 4.06Å; L228-V412 WeakPolarHBondContact O-CA 3.49Å; I410-V412 HydrophobicContact CG2-CG2 3.93Å; V412-Y417 HydrophobicContact CB-CD1 3.99Å; V412-Y417 HydrophobicContact CB-CE1 3.69Å; V412-Y417 HydrophobicContact CB-CE2 4.46Å; V412-Y417 HydrophobicContact CB-CG 4.48Å; V412-Y417 HydrophobicContact CG1-CD1 3.4Å; V412-Y417 VanDerWaalsContact CG1-CD1 3.4Å; V412-Y417 HydrophobicContact CG1-CD2 3.74Å; V412-Y417 HydrophobicContact CG1-CE1 3.58Å; V412-Y417 HydrophobicContact CG1-CE2 3.93Å; V412-Y417 HydrophobicContact CG1-CG 3.47Å; V412-Y417 VanDerWaalsContact CG1-CG 3.47Å; V412-Y417 HydrophobicContact CG2-CE1 4.29Å; V412-Y417 HydrophobicContact CG2-CE2 4.42Å; V412-F442 HydrophobicContact CG2-CD1 3.82Å; V412-L443 PolarHBondContact N-O 3.18Å; V412-S445 PolarHBondContact O-N 3.13Å
413	D	93.2	Very high	93.9	Very high	20 Å²	20	49.2 Å²	49.2	11%	0.107	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	172.2	167.3	-161.6	2.2	0	0	0	110.7	T213 L228 I229 V230 K418 G448	T213-D413 HydrophobicContact CG2-CB 3.94Å; L228-D413 PolarHBondContact O-N 3.2Å; I229-D413 WeakPolarHBondContact CA-O 3.2Å; I229-D413 HydrophobicContact CD1-CB 3.75Å; V230-D413 PolarHBondContact N-O 2.76Å; D413-K418 WeakPolarHBondContact OD1-CD 3.38Å; D413-K418 WeakPolarHBondContact OD1-CE 3.36Å; D413-K418 IonicContact OD1-NZ 3Å; D413-K418 PolarHBondContact OD1-NZ 3.09Å; D413-K418 IonicContact OD2-NZ 3.94Å; D413-G448 VanDerWaalsContact OD2-CA 3.26Å; D413-G448 WeakPolarHBondContact OD2-CA 3.47Å
414	G	91.3	Very high	94.5	Very high	9 Å²	9	45.6 Å²	45.6	9%	0.093	21%	0.213	C	C	.	.			trans	118.9	144.6	177.6	0	0	0	0	0	113.4	V230 V416 Y417 K418	V230-G414 CarbonylContact O-C 3.49Å; V230-G414 WeakPolarHBondContact O-CA 3.31Å; G414-V416 PolarHBondContact O-N 3.37Å; G414-Y417 PolarHBondContact O-N 2.92Å; G414-K418 VanDerWaalsContact O-CB 3.28Å; G414-K418 WeakPolarHBondContact O-CB 3.47Å; G414-K418 WeakPolarHBondContact O-CG 3.38Å; G414-K418 PolarHBondContact O-N 3.43Å
415	S	90.8	Very high	94.9	Very high	51 Å²	51	44.8 Å²	44.8	36%	0.357	21%	0.206	S	C	.	.	H	α-helix	trans	-61.9	-37.1	-173.4	52.8	0	0	0	0	113.8	V230 G231 K418 K419	V230-S415 PolarHBondContact O-N 3.3Å; G231-S415 WeakPolarHBondContact CA-OG 3.13Å; S415-K418 PolarHBondContact O-N 3.42Å; S415-K419 VanDerWaalsContact O-CB 3.24Å; S415-K419 WeakPolarHBondContact O-CB 3.28Å; S415-K419 WeakPolarHBondContact O-CG 3Å; S415-K419 PolarHBondContact O-N 2.76Å
416	V	94.2	Very high	95.1	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.024	19%	0.188	C	C	.	.	H	α-helix	trans	-66	-52.9	179.5	173.8	0	0	0	0	109.8	V230 G299 M302 T336 G414 K418 K419 H420 F423	V230-V416 HydrophobicContact CG1-CB 4.06Å; V230-V416 HydrophobicContact CG1-CG1 4.16Å; V230-V416 WeakPolarHBondContact O-CB 3.48Å; V230-V416 PolarHBondContact O-N 2.82Å; G299-V416 VanDerWaalsContact CA-CG2 3.41Å; M302-V416 HydrophobicContact CE-CB 4.23Å; M302-V416 HydrophobicContact CE-CG1 3.5Å; M302-V416 HydrophobicContact CE-CG2 3.64Å; T336-V416 HydrophobicContact CG2-CG2 4.2Å; G414-V416 PolarHBondContact O-N 3.37Å; V416-K418 PolarHBondContact O-N 3.18Å; V416-K419 PolarHBondContact O-N 3.3Å; V416-H420 HydrophobicContact CG1-CB 4.5Å; V416-H420 WeakPolarHBondContact O-CB 3.34Å; V416-H420 PolarHBondContact O-N 2.87Å; V416-F423 HydrophobicContact CG1-CD1 4.23Å; V416-F423 HydrophobicContact CG1-CD2 3.72Å; V416-F423 HydrophobicContact CG1-CE1 4.43Å; V416-F423 HydrophobicContact CG1-CE2 3.94Å; V416-F423 HydrophobicContact CG1-CG 3.89Å; V416-F423 HydrophobicContact CG1-CZ 4.29Å
417	Y	95.3	Very high	95.3	Very high	5 Å²	5	38.9 Å²	38.9	2%	0.02	19%	0.188	C	C	.	.	H	α-helix	trans	-62.6	-33.7	178.4	-178.5	-92	0	0	0	112.5	V230 V412 G414 F423 A424 L427 H428 R444	V230-Y417 PolarHBondContact O-N 3.4Å; V412-Y417 HydrophobicContact CB-CD1 3.99Å; V412-Y417 HydrophobicContact CB-CE1 3.69Å; V412-Y417 HydrophobicContact CB-CE2 4.46Å; V412-Y417 HydrophobicContact CB-CG 4.48Å; V412-Y417 HydrophobicContact CG1-CD1 3.4Å; V412-Y417 VanDerWaalsContact CG1-CD1 3.4Å; V412-Y417 HydrophobicContact CG1-CD2 3.74Å; V412-Y417 HydrophobicContact CG1-CE1 3.58Å; V412-Y417 HydrophobicContact CG1-CE2 3.93Å; V412-Y417 HydrophobicContact CG1-CG 3.47Å; V412-Y417 VanDerWaalsContact CG1-CG 3.47Å; V412-Y417 HydrophobicContact CG2-CE1 4.29Å; V412-Y417 HydrophobicContact CG2-CE2 4.42Å; G414-Y417 PolarHBondContact O-N 2.92Å; Y417-F423 HydrophobicContact CD2-CD1 4.13Å; Y417-F423 HydrophobicContact CD2-CE1 4.45Å; Y417-A424 HydrophobicContact CD2-CB 3.86Å; Y417-A424 HydrophobicContact CE1-CB 4.44Å; Y417-A424 HydrophobicContact CE2-CB 3.44Å; Y417-A424 VanDerWaalsContact CE2-CB 3.44Å; Y417-L427 HydrophobicContact CD2-CD2 4.08Å; Y417-L427 HydrophobicContact CE2-CD2 4.01Å; Y417-H428 AromaticContact CE2-NE2 3.63Å; Y417-H428 AromaticContact CZ-NE2 3.62Å; Y417-H428 PolarHBondContact OH-CE1 2.78Å; Y417-H428 VanDerWaalsContact OH-CE1 3.31Å; Y417-H428 PolarHBondContact OH-NE2 3.16Å; Y417-R444 HydrophobicContact CD1-CG 4.49Å; Y417-R444 HydrophobicContact CE1-CG 3.73Å; Y417-R444 PolarHBondContact O-NH2 2.96Å
418	K	92.4	Very high	95.5	Very high	60 Å²	60	32.1 Å²	32.1	26%	0.261	16%	0.164	S	C	.	.	H	α-helix	trans	-74.3	-45	-179.8	-78.5	179.8	168.5	175.6	0	113.4	D413 G414 S415 V416 R444 S445	D413-K418 WeakPolarHBondContact OD1-CD 3.38Å; D413-K418 WeakPolarHBondContact OD1-CE 3.36Å; D413-K418 IonicContact OD1-NZ 3Å; D413-K418 PolarHBondContact OD1-NZ 3.09Å; D413-K418 IonicContact OD2-NZ 3.94Å; G414-K418 VanDerWaalsContact O-CB 3.28Å; G414-K418 WeakPolarHBondContact O-CB 3.47Å; G414-K418 WeakPolarHBondContact O-CG 3.38Å; G414-K418 PolarHBondContact O-N 3.43Å; S415-K418 PolarHBondContact O-N 3.42Å; V416-K418 PolarHBondContact O-N 3.18Å; K418-R444 PolarHBondContact O-NH2 3.5Å; K418-S445 VanDerWaalsContact CE-O 3.24Å; K418-S445 WeakPolarHBondContact CE-O 3.48Å; K418-S445 PolarHBondContact NZ-O 3.25Å
419	K	93.1	Very high	95.6	Very high	163 Å²	163	39 Å²	39	71%	0.709	19%	0.194	S	C	*	.	H	α-helix	trans	-105.1	-25.6	-165.2	-58.5	-179.1	179.7	-177.7	0	114.5	S415 V416	S415-K419 VanDerWaalsContact O-CB 3.24Å; S415-K419 WeakPolarHBondContact O-CB 3.28Å; S415-K419 WeakPolarHBondContact O-CG 3Å; S415-K419 PolarHBondContact O-N 2.76Å; V416-K419 PolarHBondContact O-N 3.3Å
420	H	95.4	Very high	95.6	Very high	7 Å²	7	39.1 Å²	39.1	3%	0.032	19%	0.194	C	C	.	.			trans	-73.6	129.5	-179.1	-168.9	-78.2	0	0	0	110.8	S340 E343 V416 H422 F423	S340-H420 PolarHBondContact OG-CD2 3.23Å; E343-H420 VanDerWaalsContact CD-CE1 3.5Å; E343-H420 IonicContact OE1-CE1 3.2Å; E343-H420 IonicContact OE1-NE2 3.57Å; E343-H420 PolarHBondContact OE1-NE2 3.45Å; E343-H420 IonicContact OE2-CE1 2.96Å; E343-H420 PolarHBondContact OE2-CE1 3.47Å; E343-H420 IonicContact OE2-NE2 3.09Å; V416-H420 HydrophobicContact CG1-CB 4.5Å; V416-H420 WeakPolarHBondContact O-CB 3.34Å; V416-H420 PolarHBondContact O-N 2.87Å; H420-H422 VanDerWaalsContact C-N 3.32Å; H420-H422 PolarHBondContact ND1-N 3.37Å; H420-H422 PolarHBondContact O-N 2.97Å; H420-F423 HydrophobicContact CB-CB 3.73Å; H420-F423 PolarHBondContact ND1-N 3.28Å
421	P	94.6	Very high	95.6	Very high	53 Å²	53	39.1 Å²	39.1	34%	0.344	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-31.7	-169.3	23.4	-34	0	0	0	114	E343	E343-P421 HydrophobicContact CB-CG 3.98Å; E343-P421 WeakPolarHBondContact O-CG 3.33Å
422	H	95.1	Very high	95.7	Very high	59 Å²	59	45 Å²	45	27%	0.273	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-8.4	-173.1	-61.4	-37.1	0	0	0	115.3	E343 H420 K425 C426	E343-H422 PolarHBondContact O-NE2 2.96Å; E343-H422 VanDerWaalsContact O-NE2 3.16Å; E343-H422 IonicContact OE2-CD2 2.72Å; H420-H422 VanDerWaalsContact C-N 3.32Å; H420-H422 PolarHBondContact ND1-N 3.37Å; H420-H422 PolarHBondContact O-N 2.97Å; H422-K425 PolarHBondContact O-N 3.49Å; H422-C426 WeakPolarHBondContact O-CB 3.5Å; H422-C426 PolarHBondContact O-N 3.12Å
423	F	97.1	Very high	95.7	Very high	2 Å²	2	50 Å²	50	1%	0.009	24%	0.235	C	C	.	.	H	α-helix	trans	-65.7	-52.8	-167.8	-172.4	-86.5	0	0	0	111.9	V230 S382 A383 V416 Y417 H420 K425 C426 L427	V230-F423 HydrophobicContact CB-CE1 4.3Å; V230-F423 HydrophobicContact CG1-CE1 3.86Å; V230-F423 HydrophobicContact CG1-CZ 3.74Å; V230-F423 HydrophobicContact CG2-CE1 4.33Å; S382-F423 VanDerWaalsContact OG-CE2 3.29Å; S382-F423 WeakPolarHBondContact OG-CE2 3.42Å; A383-F423 HydrophobicContact CB-CD2 3.96Å; A383-F423 HydrophobicContact CB-CE1 4.46Å; A383-F423 HydrophobicContact CB-CE2 3.72Å; A383-F423 HydrophobicContact CB-CG 4.42Å; A383-F423 HydrophobicContact CB-CZ 3.99Å; V416-F423 HydrophobicContact CG1-CD1 4.23Å; V416-F423 HydrophobicContact CG1-CD2 3.72Å; V416-F423 HydrophobicContact CG1-CE1 4.43Å; V416-F423 HydrophobicContact CG1-CE2 3.94Å; V416-F423 HydrophobicContact CG1-CG 3.89Å; V416-F423 HydrophobicContact CG1-CZ 4.29Å; Y417-F423 HydrophobicContact CD2-CD1 4.13Å; Y417-F423 HydrophobicContact CD2-CE1 4.45Å; H420-F423 HydrophobicContact CB-CB 3.73Å; H420-F423 PolarHBondContact ND1-N 3.28Å; F423-K425 VanDerWaalsContact C-N 3.32Å; F423-K425 PolarHBondContact O-N 3.01Å; F423-C426 PolarHBondContact O-N 3.05Å; F423-L427 HydrophobicContact CE1-CD2 4.27Å; F423-L427 WeakPolarHBondContact O-CB 3.42Å; F423-L427 PolarHBondContact O-N 2.74Å
424	A	97	Very high	95.9	Very high	18 Å²	18	49.7 Å²	49.7	15%	0.149	23%	0.233	C	C	.	.	H	α-helix	trans	-58.4	-44.6	-180	0	0	0	0	0	111.7	Y417 C426 L427 H428	Y417-A424 HydrophobicContact CD2-CB 3.86Å; Y417-A424 HydrophobicContact CE1-CB 4.44Å; Y417-A424 HydrophobicContact CE2-CB 3.44Å; Y417-A424 VanDerWaalsContact CE2-CB 3.44Å; A424-C426 PolarHBondContact O-N 2.88Å; A424-L427 PolarHBondContact O-N 3.11Å; A424-H428 WeakPolarHBondContact O-CB 3.28Å; A424-H428 PolarHBondContact O-CD2 3.44Å; A424-H428 PolarHBondContact O-N 3.36Å
425	K	96.9	Very high	96.2	Very high	159 Å²	159	49.8 Å²	49.8	69%	0.691	23%	0.232	S	C	*	.	H	α-helix	trans	-61.2	-43.6	178.3	-174.5	179.2	-179.7	179.6	0	111.7	H422 F423 K429	H422-K425 PolarHBondContact O-N 3.49Å; F423-K425 VanDerWaalsContact C-N 3.32Å; F423-K425 PolarHBondContact O-N 3.01Å; K425-K429 VanDerWaalsContact O-CB 3.32Å; K425-K429 WeakPolarHBondContact O-CB 3.41Å; K425-K429 PolarHBondContact O-N 3.29Å
426	C	97.5	Very high	96.4	Very high	28 Å²	28	51.7 Å²	51.7	19%	0.189	24%	0.243	C	C	.	.	H	α-helix	trans	-64.3	-49.5	177.5	-173.2	0	0	0	0	111.4	A383 H422 F423 A424 H428 K429 T430	A383-C426 HydrophobicContact CB-CB 3.89Å; H422-C426 WeakPolarHBondContact O-CB 3.5Å; H422-C426 PolarHBondContact O-N 3.12Å; F423-C426 PolarHBondContact O-N 3.05Å; A424-C426 PolarHBondContact O-N 2.88Å; C426-H428 PolarHBondContact O-N 3.26Å; C426-K429 PolarHBondContact O-N 3.35Å; C426-T430 PolarHBondContact O-N 3.06Å; C426-T430 PolarHBondContact O-OG1 2.92Å
427	L	98.3	Very high	96.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-54.3	-52.9	176.9	176.7	61.6	0	0	0	111.1	L228 A383 C386 A387 L390 Y417 F423 A424 K429 T430 V431 F442	L228-L427 HydrophobicContact CD2-CD2 3.95Å; A383-L427 HydrophobicContact CB-CB 4.36Å; A383-L427 WeakPolarHBondContact O-CD1 3.43Å; C386-L427 HydrophobicContact CB-CD1 3.91Å; A387-L427 HydrophobicContact CB-CD1 3.9Å; L390-L427 HydrophobicContact CD1-CD1 4.02Å; Y417-L427 HydrophobicContact CD2-CD2 4.08Å; Y417-L427 HydrophobicContact CE2-CD2 4.01Å; F423-L427 HydrophobicContact CE1-CD2 4.27Å; F423-L427 WeakPolarHBondContact O-CB 3.42Å; F423-L427 PolarHBondContact O-N 2.74Å; A424-L427 PolarHBondContact O-N 3.11Å; L427-K429 PolarHBondContact O-N 2.9Å; L427-T430 PolarHBondContact O-N 3.43Å; L427-V431 HydrophobicContact CD1-CG2 4.1Å; L427-V431 WeakPolarHBondContact O-CG2 3.48Å; L427-V431 PolarHBondContact O-N 3.23Å; L427-F442 HydrophobicContact CD2-CE1 4.41Å
428	H	98.2	Very high	96.4	Very high	32 Å²	32	55.4 Å²	55.4	15%	0.148	26%	0.264	C	S	.	.	H	α-helix	trans	-62.2	-42.5	-177.9	-59.9	175.5	0	0	0	112.4	Y417 A424 C426 T430 R432 F442	Y417-H428 AromaticContact CE2-NE2 3.63Å; Y417-H428 AromaticContact CZ-NE2 3.62Å; Y417-H428 PolarHBondContact OH-CE1 2.78Å; Y417-H428 VanDerWaalsContact OH-CE1 3.31Å; Y417-H428 PolarHBondContact OH-NE2 3.16Å; A424-H428 WeakPolarHBondContact O-CB 3.28Å; A424-H428 PolarHBondContact O-CD2 3.44Å; A424-H428 PolarHBondContact O-N 3.36Å; C426-H428 PolarHBondContact O-N 3.26Å; H428-T430 VanDerWaalsContact C-N 3.33Å; H428-R432 WeakPolarHBondContact O-CG 3.48Å; H428-R432 PolarHBondContact O-N 3.04Å; H428-R432 VanDerWaalsContact O-N 3.12Å; H428-F442 HydrophobicContact CB-CD2 4.31Å; H428-F442 HydrophobicContact CB-CE2 4.06Å; H428-F442 AromaticContact CD2-CD1 3.62Å; H428-F442 AromaticContact CD2-CD2 3.26Å; H428-F442 WeakPolarHBondContact CD2-CD2 3.37Å; H428-F442 AromaticContact CD2-CE1 3.74Å; H428-F442 AromaticContact CD2-CE2 3.42Å; H428-F442 VanDerWaalsContact CD2-CE2 3.42Å; H428-F442 WeakPolarHBondContact CD2-CE2 3.37Å; H428-F442 AromaticContact CD2-CG 3.36Å; H428-F442 WeakPolarHBondContact CD2-CG 3.31Å; H428-F442 AromaticContact CD2-CZ 3.65Å; H428-F442 AromaticContact CE1-CD2 3.99Å; H428-F442 AromaticContact CE1-CG 3.87Å; H428-F442 AromaticContact CG-CD2 3.65Å; H428-F442 AromaticContact CG-CE2 3.81Å; H428-F442 WeakPolarHBondContact NE2-CB 3.45Å; H428-F442 AromaticContact NE2-CD1 3.56Å; H428-F442 AromaticContact NE2-CD2 3.5Å; H428-F442 AromaticContact NE2-CG 3.18Å; H428-F442 WeakPolarHBondContact NE2-CG 3.47Å
429	K	98	Very high	96.6	Very high	146 Å²	146	56.5 Å²	56.5	64%	0.635	27%	0.272	S	S	*	.	H	α-helix	trans	-64.5	-40.6	179.5	-176.4	-177.9	176.3	-174.7	0	111.1	K425 C426 L427 R433	K425-K429 VanDerWaalsContact O-CB 3.32Å; K425-K429 WeakPolarHBondContact O-CB 3.41Å; K425-K429 PolarHBondContact O-N 3.29Å; C426-K429 PolarHBondContact O-N 3.35Å; L427-K429 PolarHBondContact O-N 2.9Å; K429-R433 WeakPolarHBondContact O-CB 3.26Å; K429-R433 PolarHBondContact O-N 3.41Å
430	T	98.4	Very high	96.8	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-72.8	-43.3	179.6	-60.7	0	0	0	0	111.5	L36 A387 C426 L427 H428 R432 R433 L434	L36-T430 HydrophobicContact CD1-CG2 3.9Å; A387-T430 HydrophobicContact CB-CG2 3.48Å; A387-T430 VanDerWaalsContact CB-CG2 3.48Å; C426-T430 PolarHBondContact O-N 3.06Å; C426-T430 PolarHBondContact O-OG1 2.92Å; L427-T430 PolarHBondContact O-N 3.43Å; H428-T430 VanDerWaalsContact C-N 3.33Å; T430-R432 PolarHBondContact O-N 3.42Å; T430-R433 WeakPolarHBondContact O-CB 3.35Å; T430-R433 PolarHBondContact O-N 2.99Å; T430-R433 VanDerWaalsContact O-N 3.09Å; T430-R433 PolarHBondContact OG1-NH1 2.76Å; T430-R433 PolarHBondContact OG1-NH2 2.75Å; T430-L434 HydrophobicContact CG2-CD1 3.91Å; T430-L434 HydrophobicContact CG2-CG 4.15Å; T430-L434 WeakPolarHBondContact O-CG 3.48Å; T430-L434 PolarHBondContact O-N 2.85Å
431	V	98.3	Very high	96.9	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-55.6	-52.3	174.8	170.1	0	0	0	0	111.1	A387 L390 L394 L427 R433 L434 V435 V440 F442	A387-V431 HydrophobicContact CB-CG2 3.64Å; L390-V431 HydrophobicContact CB-CG2 4.2Å; L390-V431 HydrophobicContact CD1-CG2 4.15Å; L394-V431 HydrophobicContact CD1-CG1 3.75Å; L427-V431 HydrophobicContact CD1-CG2 4.1Å; L427-V431 WeakPolarHBondContact O-CG2 3.48Å; L427-V431 PolarHBondContact O-N 3.23Å; V431-R433 PolarHBondContact O-N 3.16Å; V431-R433 VanDerWaalsContact O-N 3.15Å; V431-L434 PolarHBondContact O-N 3.14Å; V431-L434 VanDerWaalsContact O-N 3.12Å; V431-V435 HydrophobicContact CG1-CG2 3.98Å; V431-V435 WeakPolarHBondContact O-CG2 3.44Å; V431-V435 PolarHBondContact O-N 3.01Å; V431-V440 HydrophobicContact CG1-CG2 4.44Å; V431-F442 HydrophobicContact CB-CZ 4.17Å; V431-F442 HydrophobicContact CG1-CZ 4.2Å; V431-F442 HydrophobicContact CG2-CZ 4.12Å
432	R	97.3	Very high	97	Very high	125 Å²	125	54 Å²	54	47%	0.472	25%	0.254	S	S	.	.	H	α-helix	trans	-61.1	-27.1	179.6	-68.4	-177.2	-165.6	110.7	4.8	113.5	H428 T430	H428-R432 WeakPolarHBondContact O-CG 3.48Å; H428-R432 PolarHBondContact O-N 3.04Å; H428-R432 VanDerWaalsContact O-N 3.12Å; T430-R432 PolarHBondContact O-N 3.42Å
433	R	97.2	Very high	97.1	Very high	103 Å²	103	52.7 Å²	52.7	39%	0.389	25%	0.249	S	C	.	.	H	α-helix	trans	-77.8	-38.3	177.1	-172.8	169.3	71	-104	3.6	112.1	D33 K429 T430 V431	D33-R433 VanDerWaalsContact CG-NE 3.25Å; D33-R433 IonicContact OD1-CZ 3.88Å; D33-R433 VanDerWaalsContact OD1-CZ 3.28Å; D33-R433 IonicContact OD1-NE 3.91Å; D33-R433 PolarHBondContact OD1-NE 2.72Å; D33-R433 IonicContact OD1-NH2 3.74Å; D33-R433 PolarHBondContact OD1-NH2 3.22Å; D33-R433 VanDerWaalsContact OD2-CD 3.23Å; D33-R433 WeakPolarHBondContact OD2-CD 3.48Å; D33-R433 IonicContact OD2-CZ 3.7Å; D33-R433 IonicContact OD2-NE 3.09Å; D33-R433 PolarHBondContact OD2-NE 3.42Å; D33-R433 IonicContact OD2-NH2 2.97Å; K429-R433 WeakPolarHBondContact O-CB 3.26Å; K429-R433 PolarHBondContact O-N 3.41Å; T430-R433 WeakPolarHBondContact O-CB 3.35Å; T430-R433 PolarHBondContact O-N 2.99Å; T430-R433 VanDerWaalsContact O-N 3.09Å; T430-R433 PolarHBondContact OG1-NH1 2.76Å; T430-R433 PolarHBondContact OG1-NH2 2.75Å; V431-R433 PolarHBondContact O-N 3.16Å; V431-R433 VanDerWaalsContact O-N 3.15Å
434	L	97.9	Very high	96.9	Very high	15 Å²	15	57.4 Å²	57.4	8%	0.079	27%	0.266	C	S	.	.	H	α-helix	trans	-77.4	-29.5	-179.3	-63.8	179.7	0	0	0	113.1	D33 L36 L37 A387 A388 A391 T430 V431	D33-L434 HydrophobicContact CB-CD2 4.49Å; L36-L434 HydrophobicContact CB-CD1 4.08Å; L36-L434 HydrophobicContact CB-CD2 4.12Å; L37-L434 HydrophobicContact CD2-CB 4.41Å; L37-L434 HydrophobicContact CD2-CD2 3.97Å; L37-L434 HydrophobicContact CG-CD2 3.95Å; A387-L434 HydrophobicContact CB-CD1 4.38Å; A388-L434 HydrophobicContact CB-CD1 4.42Å; A391-L434 HydrophobicContact CB-CB 3.95Å; A391-L434 HydrophobicContact CB-CD1 4.29Å; T430-L434 HydrophobicContact CG2-CD1 3.91Å; T430-L434 HydrophobicContact CG2-CG 4.15Å; T430-L434 WeakPolarHBondContact O-CG 3.48Å; T430-L434 PolarHBondContact O-N 2.85Å; V431-L434 PolarHBondContact O-N 3.14Å; V431-L434 VanDerWaalsContact O-N 3.12Å
435	V	96.5	Very high	96.5	Very high	10 Å²	10	56.6 Å²	56.6	6%	0.061	26%	0.259	C	S	.	.			trans	-129.3	74.8	179.2	-75.1	0	0	0	0	111.5	A391 L394 V431 D437 C438	A391-V435 HydrophobicContact CB-CG1 3.78Å; A391-V435 HydrophobicContact CB-CG2 4.48Å; L394-V435 HydrophobicContact CD1-CG2 3.84Å; V431-V435 HydrophobicContact CG1-CG2 3.98Å; V431-V435 WeakPolarHBondContact O-CG2 3.44Å; V431-V435 PolarHBondContact O-N 3.01Å; V435-D437 PolarHBondContact O-N 2.82Å; V435-C438 HydrophobicContact CB-CB 4.19Å; V435-C438 HydrophobicContact CG2-CB 4.15Å; V435-C438 PolarHBondContact O-N 2.81Å
436	P	95.1	Very high	95.6	Very high	91 Å²	91	55.6 Å²	55.6	59%	0.591	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-21.6	-175.5	27.2	-35.6	0	0	0	114.1	C438	P436-C438 PolarHBondContact O-N 3.06Å
437	D	94.9	Very high	94.4	Very high	80 Å²	80	57.6 Å²	57.6	43%	0.428	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	4	179	-55.6	-27.5	0	0	0	113.5	K398 R405 L406 V435	K398-D437 VanDerWaalsContact NZ-CB 3.26Å; K398-D437 IonicContact NZ-OD2 2.72Å; K398-D437 PolarHBondContact NZ-OD2 3.19Å; K398-D437 VanDerWaalsContact NZ-OD2 3.07Å; R405-D437 WeakPolarHBondContact CA-O 3.47Å; L406-D437 PolarHBondContact N-O 3.01Å; L406-D437 VanDerWaalsContact N-O 3.14Å; V435-D437 PolarHBondContact O-N 2.82Å
438	C	95.8	Very high	93.3	Very high	7 Å²	7	57.6 Å²	57.6	5%	0.047	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	116.9	-179.5	-63.5	0	0	0	0	110.9	L406 V435 P436 V440	L406-C438 CarbonylContact O-C 3.6Å; L406-C438 WeakPolarHBondContact O-CA 3.21Å; V435-C438 HydrophobicContact CB-CB 4.19Å; V435-C438 HydrophobicContact CG2-CB 4.15Å; V435-C438 PolarHBondContact O-N 2.81Å; P436-C438 PolarHBondContact O-N 3.06Å; C438-V440 HydrophobicContact CB-CG2 3.82Å; C438-V440 PolarHBondContact O-N 3.45Å
439	D	96.1	Very high	92.5	Very high	83 Å²	83	56.3 Å²	56.3	44%	0.444	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	88.3	173.4	-68.7	-50	0	0	0	109.5	R405 L406 S408	R405-D439 IonicContact CZ-OD2 3.19Å; R405-D439 IonicContact NE-OD2 2.98Å; R405-D439 IonicContact NH2-OD1 3.94Å; R405-D439 PolarHBondContact NH2-OD1 3.17Å; R405-D439 IonicContact NH2-OD2 3.81Å; R405-D439 PolarHBondContact NH2-OD2 3.16Å; L406-D439 PolarHBondContact O-N 2.58Å; S408-D439 PolarHBondContact N-O 3.21Å
440	V	96.9	Very high	91.7	Very high	14 Å²	14	49.4 Å²	49.4	9%	0.085	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	124.6	-171.4	-173.3	0	0	0	0	112.8	L394 S408 I410 V431 C438 F442	L394-V440 HydrophobicContact CD1-CG2 3.64Å; L394-V440 HydrophobicContact CD2-CG2 3.97Å; L394-V440 HydrophobicContact CG-CG2 4.47Å; S408-V440 WeakPolarHBondContact O-CA 3.25Å; I410-V440 HydrophobicContact CD1-CG1 3.59Å; I410-V440 HydrophobicContact CG1-CG1 3.76Å; V431-V440 HydrophobicContact CG1-CG2 4.44Å; C438-V440 HydrophobicContact CB-CG2 3.82Å; C438-V440 PolarHBondContact O-N 3.45Å; V440-F442 HydrophobicContact CB-CE2 4.45Å; V440-F442 HydrophobicContact CG1-CD2 4.19Å; V440-F442 HydrophobicContact CG1-CE2 3.77Å; V440-F442 HydrophobicContact CG1-CZ 4.09Å
441	R	97.7	Very high	91.1	Very high	131 Å²	131	49.8 Å²	49.8	49%	0.494	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	136.1	167.5	-176.2	-176.8	-177.8	-171.7	2.1	110	D221 S408 T409 I410	D221-R441 WeakPolarHBondContact OD2-CD 3.41Å; D221-R441 IonicContact OD2-CZ 2.76Å; D221-R441 IonicContact OD2-NE 2.75Å; D221-R441 IonicContact OD2-NH1 3.68Å; D221-R441 PolarHBondContact OD2-NH1 3.2Å; S408-R441 PolarHBondContact O-N 2.97Å; T409-R441 CarbonylContact C-O 3.53Å; T409-R441 VanDerWaalsContact CA-O 3.31Å; T409-R441 WeakPolarHBondContact CA-O 3.45Å; T409-R441 HydrophobicContact CG2-CB 4.41Å; T409-R441 HydrophobicContact CG2-CG 4.47Å; I410-R441 PolarHBondContact N-O 3.44Å
442	F	97.7	Very high	90.6	Very high	27 Å²	27	49.8 Å²	49.8	12%	0.118	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	120.8	170.3	-68.7	-95.6	0	0	0	108.9	L390 I410 V412 L427 H428 V431 V440	L390-F442 HydrophobicContact CD1-CE1 4.44Å; I410-F442 HydrophobicContact CB-CD1 3.96Å; I410-F442 HydrophobicContact CB-CE1 4.18Å; I410-F442 HydrophobicContact CD1-CD1 4.34Å; I410-F442 HydrophobicContact CD1-CE1 3.71Å; I410-F442 HydrophobicContact CD1-CZ 3.95Å; I410-F442 HydrophobicContact CG1-CE1 4.43Å; I410-F442 HydrophobicContact CG2-CD1 4.24Å; I410-F442 HydrophobicContact CG2-CE1 4.32Å; I410-F442 WeakPolarHBondContact O-CA 3.48Å; V412-F442 HydrophobicContact CG2-CD1 3.82Å; L427-F442 HydrophobicContact CD2-CE1 4.41Å; H428-F442 HydrophobicContact CB-CD2 4.31Å; H428-F442 HydrophobicContact CB-CE2 4.06Å; H428-F442 AromaticContact CD2-CD1 3.62Å; H428-F442 AromaticContact CD2-CD2 3.26Å; H428-F442 WeakPolarHBondContact CD2-CD2 3.37Å; H428-F442 AromaticContact CD2-CE1 3.74Å; H428-F442 AromaticContact CD2-CE2 3.42Å; H428-F442 VanDerWaalsContact CD2-CE2 3.42Å; H428-F442 WeakPolarHBondContact CD2-CE2 3.37Å; H428-F442 AromaticContact CD2-CG 3.36Å; H428-F442 WeakPolarHBondContact CD2-CG 3.31Å; H428-F442 AromaticContact CD2-CZ 3.65Å; H428-F442 AromaticContact CE1-CD2 3.99Å; H428-F442 AromaticContact CE1-CG 3.87Å; H428-F442 AromaticContact CG-CD2 3.65Å; H428-F442 AromaticContact CG-CE2 3.81Å; H428-F442 WeakPolarHBondContact NE2-CB 3.45Å; H428-F442 AromaticContact NE2-CD1 3.56Å; H428-F442 AromaticContact NE2-CD2 3.5Å; H428-F442 AromaticContact NE2-CG 3.18Å; H428-F442 WeakPolarHBondContact NE2-CG 3.47Å; V431-F442 HydrophobicContact CB-CZ 4.17Å; V431-F442 HydrophobicContact CG1-CZ 4.2Å; V431-F442 HydrophobicContact CG2-CZ 4.12Å; V440-F442 HydrophobicContact CB-CE2 4.45Å; V440-F442 HydrophobicContact CG1-CD2 4.19Å; V440-F442 HydrophobicContact CG1-CE2 3.77Å; V440-F442 HydrophobicContact CG1-CZ 4.09Å
443	L	95.8	Very high	90.2	Very high	31 Å²	31	43.8 Å²	43.8	16%	0.162	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.6	-179.6	-173.6	59.3	0	0	0	109.6	C217 D220 D221 T409 I410 G411 V412	C217-L443 HydrophobicContact CB-CB 4.41Å; C217-L443 HydrophobicContact CB-CD2 3.92Å; C217-L443 HydrophobicContact CB-CG 4.3Å; C217-L443 PolarHBondContact SG-O 3.43Å; D220-L443 HydrophobicContact CB-CD2 4.17Å; D221-L443 HydrophobicContact CB-CD2 4.04Å; T409-L443 HydrophobicContact CG2-CB 3.76Å; T409-L443 HydrophobicContact CG2-CD2 4.49Å; I410-L443 PolarHBondContact O-N 2.9Å; G411-L443 CarbonylContact C-O 3.5Å; G411-L443 WeakPolarHBondContact CA-O 3.49Å; V412-L443 PolarHBondContact N-O 3.18Å
444	R	93.6	Very high	89.9	Confident	100 Å²	100	38.9 Å²	38.9	38%	0.377	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	131.2	177.4	-84.3	-179.6	154	-170.4	-0.6	110.3	Y417 K418 E446	Y417-R444 HydrophobicContact CD1-CG 4.49Å; Y417-R444 HydrophobicContact CE1-CG 3.73Å; Y417-R444 PolarHBondContact O-NH2 2.96Å; K418-R444 PolarHBondContact O-NH2 3.5Å; R444-E446 PolarHBondContact O-N 2.91Å
445	S	88.7	Confident	89.5	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.007	19%	0.187	C	C	.	.			trans	-80.7	106.6	166.9	-176.5	0	0	0	0	109	T216 V412 K418 G448	T216-S445 VanDerWaalsContact CG2-OG 3.28Å; T216-S445 WeakPolarHBondContact CG2-OG 3.29Å; V412-S445 PolarHBondContact O-N 3.13Å; K418-S445 VanDerWaalsContact CE-O 3.24Å; K418-S445 WeakPolarHBondContact CE-O 3.48Å; K418-S445 PolarHBondContact NZ-O 3.25Å; S445-G448 VanDerWaalsContact OG-CA 3.28Å; S445-G448 WeakPolarHBondContact OG-CA 3.31Å; S445-G448 PolarHBondContact OG-N 3.26Å; S445-G448 VanDerWaalsContact OG-N 3.17Å; S445-G448 PolarHBondContact OG-O 3.46Å
446	E	78.4	Confident	89.3	Confident	139 Å²	139	37.8 Å²	37.8	65%	0.65	19%	0.185	S	C	*	.	S	Bend	trans	-72.4	-45.6	179.5	-66.4	-60.8	151.2	0	0	111.4	R444	R444-E446 PolarHBondContact O-N 2.91Å
447	D	71.6	Confident	89.1	Confident	69 Å²	69	33.5 Å²	33.5	37%	0.369	16%	0.157	S	C	.	.	S	Bend	trans	-84.4	-10.5	-177.1	-59.4	-47.6	0	0	0	114	R91 M107 K451	R91-D447 PolarHBondContact NH1-O 2.99Å; R91-D447 VanDerWaalsContact NH1-O 3.11Å; M107-D447 HydrophobicContact CE-CB 3.65Å; M107-D447 VanDerWaalsContact CE-OD1 3.27Å; M107-D447 WeakPolarHBondContact CE-OD1 3.47Å; M107-D447 HydrophobicContact SD-CB 4.14Å; D447-K451 HydrophobicContact CB-CB 4.23Å; D447-K451 HydrophobicContact CB-CD 4.36Å
448	G	75.9	Confident	88.8	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.01	14%	0.137	C	C	.	.			trans	78	-167.7	176.8	0	0	0	0	0	115.1	T216 D413 S445 G450	T216-G448 PolarHBondContact OG1-O 2.89Å; T216-G448 VanDerWaalsContact OG1-O 3.12Å; D413-G448 VanDerWaalsContact OD2-CA 3.26Å; D413-G448 WeakPolarHBondContact OD2-CA 3.47Å; S445-G448 VanDerWaalsContact OG-CA 3.28Å; S445-G448 WeakPolarHBondContact OG-CA 3.31Å; S445-G448 PolarHBondContact OG-N 3.26Å; S445-G448 VanDerWaalsContact OG-N 3.17Å; S445-G448 PolarHBondContact OG-O 3.46Å; G448-G450 VanDerWaalsContact C-N 3.28Å; G448-G450 PolarHBondContact O-N 3.42Å
449	S	80.7	Confident	88.4	Confident	5 Å²	5	29.6 Å²	29.6	4%	0.035	14%	0.136	C	C	.	.	H	α-helix	trans	-60.9	-26.5	-176.1	48.9	0	0	0	0	115.3	D84 T153 G452 A453	D84-S449 VanDerWaalsContact CG-OG 3.26Å; D84-S449 PolarHBondContact OD1-OG 2.98Å; D84-S449 PolarHBondContact OD2-OG 2.92Å; T153-S449 PolarHBondContact OG1-O 2.82Å; S449-G452 CarbonylContact O-C 3.49Å; S449-G452 VanDerWaalsContact O-CA 3.28Å; S449-G452 WeakPolarHBondContact O-CA 3.35Å; S449-G452 PolarHBondContact O-N 3.16Å; S449-A453 PolarHBondContact O-N 3.33Å
450	G	80.7	Confident	88	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.2	-43.6	-180	0	0	0	0	0	114.1	A82 G448 G452 A453 A454	A82-G450 WeakPolarHBondContact CB-O 3.49Å; G448-G450 VanDerWaalsContact C-N 3.28Å; G448-G450 PolarHBondContact O-N 3.42Å; G450-G452 PolarHBondContact O-N 3.5Å; G450-A453 PolarHBondContact O-N 3.01Å; G450-A454 PolarHBondContact O-N 3.17Å
451	K	85.6	Confident	87.4	Confident	13 Å²	13	31.8 Å²	31.8	6%	0.057	14%	0.143	C	C	.	.	H	α-helix	trans	-58.4	-37	170.5	176.5	177	167.7	-164.5	0	110.3	M107 T216 D220 D447 A454 M455	M107-K451 HydrophobicContact SD-CB 4.47Å; T216-K451 HydrophobicContact CG2-CB 4.32Å; T216-K451 HydrophobicContact CG2-CD 3.83Å; T216-K451 HydrophobicContact CG2-CG 4.21Å; D220-K451 IonicContact OD1-NZ 3.63Å; D220-K451 PolarHBondContact OD1-NZ 3.32Å; D220-K451 IonicContact OD2-NZ 2.75Å; D447-K451 HydrophobicContact CB-CB 4.23Å; D447-K451 HydrophobicContact CB-CD 4.36Å; K451-A454 WeakPolarHBondContact O-CB 3.28Å; K451-A454 PolarHBondContact O-N 2.97Å; K451-M455 HydrophobicContact CG-CE 4.33Å; K451-M455 HydrophobicContact CG-CG 4.46Å; K451-M455 WeakPolarHBondContact O-CG 3.4Å; K451-M455 PolarHBondContact O-N 3.33Å
452	G	88.1	Confident	86.8	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65	-44.3	-179.7	0	0	0	0	0	114	G212 T216 S449 G450 A454 M455 V456	G212-G452 WeakPolarHBondContact O-CA 3.23Å; T216-G452 WeakPolarHBondContact OG1-CA 3.36Å; T216-G452 PolarHBondContact OG1-N 2.9Å; S449-G452 CarbonylContact O-C 3.49Å; S449-G452 VanDerWaalsContact O-CA 3.28Å; S449-G452 WeakPolarHBondContact O-CA 3.35Å; S449-G452 PolarHBondContact O-N 3.16Å; G450-G452 PolarHBondContact O-N 3.5Å; G452-A454 VanDerWaalsContact C-N 3.29Å; G452-A454 PolarHBondContact O-N 3.19Å; G452-M455 PolarHBondContact O-N 3.12Å; G452-M455 VanDerWaalsContact O-N 3.13Å; G452-V456 WeakPolarHBondContact O-CG2 3.5Å; G452-V456 PolarHBondContact O-N 3.37Å
453	A	90	Very high	86.1	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.5	-38.5	173.5	0	0	0	0	0	112.1	A82 T153 V207 S449 G450 V456 T457	A82-A453 HydrophobicContact CB-CB 4.13Å; T153-A453 VanDerWaalsContact OG1-CB 3.28Å; T153-A453 WeakPolarHBondContact OG1-CB 3.36Å; V207-A453 HydrophobicContact CG2-CB 3.94Å; S449-A453 PolarHBondContact O-N 3.33Å; G450-A453 PolarHBondContact O-N 3.01Å; A453-V456 PolarHBondContact O-N 3.22Å; A453-T457 WeakPolarHBondContact O-CB 3.49Å; A453-T457 PolarHBondContact O-N 2.94Å; A453-T457 PolarHBondContact O-OG1 3.33Å
454	A	90.2	Very high	85.5	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.7	-39.9	171.9	0	0	0	0	0	112	F80 A82 V95 G450 K451 G452 T457 A458	F80-A454 HydrophobicContact CB-CB 4.17Å; A82-A454 HydrophobicContact CB-CB 4.12Å; V95-A454 HydrophobicContact CB-CB 3.57Å; V95-A454 HydrophobicContact CG1-CB 3.86Å; V95-A454 HydrophobicContact CG2-CB 3.53Å; G450-A454 PolarHBondContact O-N 3.17Å; K451-A454 WeakPolarHBondContact O-CB 3.28Å; K451-A454 PolarHBondContact O-N 2.97Å; G452-A454 VanDerWaalsContact C-N 3.29Å; G452-A454 PolarHBondContact O-N 3.19Å; A454-T457 WeakPolarHBondContact O-CB 3.36Å; A454-T457 PolarHBondContact O-N 3.46Å; A454-A458 WeakPolarHBondContact O-CB 3.01Å; A454-A458 PolarHBondContact O-N 2.96Å
455	M	90.1	Very high	85.1	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65	-40.6	175.3	-65.8	-51.4	101.3	0	0	112.2	P72 V95 V97 V105 M215 Y219 K451 G452 T457 A458 V459	P72-M455 HydrophobicContact CG-CB 4.25Å; V95-M455 HydrophobicContact CG1-CE 3.72Å; V97-M455 HydrophobicContact CG2-CE 3.49Å; V97-M455 VanDerWaalsContact CG2-CE 3.49Å; V97-M455 HydrophobicContact CG2-SD 4.33Å; V105-M455 HydrophobicContact CG1-CE 4.4Å; V105-M455 HydrophobicContact CG2-CE 4.36Å; M215-M455 HydrophobicContact CB-CB 4.29Å; Y219-M455 HydrophobicContact CD2-SD 3.58Å; Y219-M455 VanDerWaalsContact CD2-SD 3.58Å; Y219-M455 HydrophobicContact CE2-SD 4.04Å; Y219-M455 HydrophobicContact CG-SD 3.95Å; K451-M455 HydrophobicContact CG-CE 4.33Å; K451-M455 HydrophobicContact CG-CG 4.46Å; K451-M455 WeakPolarHBondContact O-CG 3.4Å; K451-M455 PolarHBondContact O-N 3.33Å; G452-M455 PolarHBondContact O-N 3.12Å; G452-M455 VanDerWaalsContact O-N 3.13Å; M455-T457 VanDerWaalsContact C-N 3.31Å; M455-T457 PolarHBondContact O-N 3.17Å; M455-A458 WeakPolarHBondContact O-CB 3.25Å; M455-A458 PolarHBondContact O-N 2.87Å; M455-V459 VanDerWaalsContact O-CG2 3.32Å; M455-V459 WeakPolarHBondContact O-CG2 3.28Å; M455-V459 PolarHBondContact O-N 2.92Å
456	V	92	Very high	84.9	Confident	2 Å²	2	29.2 Å²	29.2	1%	0.012	15%	0.153	C	C	.	.	H	α-helix	trans	-61	-44.9	174.6	173	0	0	0	0	110.6	V68 L163 A205 V207 V211 M215 G452 A453 A458 V459 A460	V68-V456 HydrophobicContact CG1-CG2 4.46Å; V68-V456 HydrophobicContact CG2-CG1 3.77Å; V68-V456 HydrophobicContact CG2-CG2 4.25Å; L163-V456 HydrophobicContact CD1-CG1 4.12Å; L163-V456 HydrophobicContact CD2-CG1 4.24Å; A205-V456 HydrophobicContact CB-CG1 3.88Å; V207-V456 HydrophobicContact CG1-CB 4.19Å; V207-V456 HydrophobicContact CG1-CG1 3.77Å; V207-V456 HydrophobicContact CG1-CG2 3.99Å; V211-V456 HydrophobicContact CG1-CG2 4.39Å; M215-V456 HydrophobicContact CB-CG2 4.02Å; M215-V456 HydrophobicContact CE-CG2 3.86Å; M215-V456 HydrophobicContact CG-CG2 3.54Å; M215-V456 HydrophobicContact SD-CG2 4.4Å; G452-V456 WeakPolarHBondContact O-CG2 3.5Å; G452-V456 PolarHBondContact O-N 3.37Å; A453-V456 PolarHBondContact O-N 3.22Å; V456-A458 VanDerWaalsContact C-N 3.3Å; V456-A458 PolarHBondContact O-N 2.83Å; V456-V459 PolarHBondContact O-N 3.38Å; V456-A460 WeakPolarHBondContact O-CB 3.1Å; V456-A460 PolarHBondContact O-N 3.34Å
457	T	90.4	Very high	85.3	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.3	-44.4	175.3	-60.4	0	0	0	0	110.6	F80 P149 G151 V204 A453 A454 M455 A460 Y461	F80-T457 HydrophobicContact CB-CG2 4.22Å; F80-T457 HydrophobicContact CD1-CG2 3.47Å; F80-T457 VanDerWaalsContact CD1-CG2 3.47Å; F80-T457 HydrophobicContact CE1-CG2 4.12Å; F80-T457 HydrophobicContact CG-CG2 4.07Å; P149-T457 HydrophobicContact CB-CG2 3.68Å; G151-T457 WeakPolarHBondContact CA-OG1 3.35Å; G151-T457 PolarHBondContact N-OG1 2.99Å; V204-T457 HydrophobicContact CG2-CG2 3.24Å; A453-T457 WeakPolarHBondContact O-CB 3.49Å; A453-T457 PolarHBondContact O-N 2.94Å; A453-T457 PolarHBondContact O-OG1 3.33Å; A454-T457 WeakPolarHBondContact O-CB 3.36Å; A454-T457 PolarHBondContact O-N 3.46Å; M455-T457 VanDerWaalsContact C-N 3.31Å; M455-T457 PolarHBondContact O-N 3.17Å; T457-A460 PolarHBondContact O-N 2.98Å; T457-Y461 WeakPolarHBondContact O-CB 3.33Å; T457-Y461 PolarHBondContact O-N 3.02Å
458	A	89.3	Confident	86.1	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-65.3	-42.2	177.5	0	0	0	0	0	112.7	E76 F80 A454 M455 V456 Y461 R462	E76-A458 HydrophobicContact CB-CB 3.88Å; E76-A458 HydrophobicContact CG-CB 4.08Å; F80-A458 HydrophobicContact CD2-CB 4.02Å; F80-A458 HydrophobicContact CE1-CB 4.24Å; F80-A458 HydrophobicContact CE2-CB 3.35Å; F80-A458 VanDerWaalsContact CZ-CA 3.5Å; F80-A458 HydrophobicContact CZ-CB 3.47Å; F80-A458 VanDerWaalsContact CZ-CB 3.47Å; A454-A458 WeakPolarHBondContact O-CB 3.01Å; A454-A458 PolarHBondContact O-N 2.96Å; M455-A458 WeakPolarHBondContact O-CB 3.25Å; M455-A458 PolarHBondContact O-N 2.87Å; V456-A458 VanDerWaalsContact C-N 3.3Å; V456-A458 PolarHBondContact O-N 2.83Å; A458-Y461 PolarHBondContact O-N 2.83Å; A458-R462 VanDerWaalsContact O-CB 3.28Å; A458-R462 WeakPolarHBondContact O-CB 3.48Å; A458-R462 PolarHBondContact O-N 2.86Å
459	V	87.5	Confident	86.8	Confident	5 Å²	5	32.9 Å²	32.9	3%	0.03	17%	0.165	C	C	.	.	H	α-helix	trans	-63.5	-45.7	174.8	170.3	0	0	0	0	110.8	P72 E76 M215 M455 V456 Y461 R462 L463	P72-V459 HydrophobicContact CB-CG2 4.43Å; P72-V459 HydrophobicContact CG-CG2 4.31Å; E76-V459 HydrophobicContact CG-CG2 3.79Å; E76-V459 WeakPolarHBondContact OE1-CG2 3.44Å; M215-V459 HydrophobicContact CE-CB 4.35Å; M215-V459 HydrophobicContact CE-CG2 3.83Å; M455-V459 VanDerWaalsContact O-CG2 3.32Å; M455-V459 WeakPolarHBondContact O-CG2 3.28Å; M455-V459 PolarHBondContact O-N 2.92Å; V456-V459 PolarHBondContact O-N 3.38Å; V459-Y461 VanDerWaalsContact C-N 3.35Å; V459-Y461 PolarHBondContact O-N 2.9Å; V459-R462 WeakPolarHBondContact O-CB 3.38Å; V459-R462 PolarHBondContact O-N 2.87Å; V459-L463 HydrophobicContact CG1-CD1 3.98Å; V459-L463 HydrophobicContact CG1-CG 4.33Å; V459-L463 VanDerWaalsContact O-CG 3.3Å; V459-L463 WeakPolarHBondContact O-CG 3.5Å; V459-L463 PolarHBondContact O-N 3.41Å
460	A	86.9	Confident	87.4	Confident	27 Å²	27	34.1 Å²	34.1	22%	0.223	17%	0.169	C	C	.	.	H	α-helix	trans	-61.3	-44.8	178.1	0	0	0	0	0	111.6	L163 V456 T457 L463 A464	L163-A460 HydrophobicContact CD2-CB 3.52Å; V456-A460 WeakPolarHBondContact O-CB 3.1Å; V456-A460 PolarHBondContact O-N 3.34Å; T457-A460 PolarHBondContact O-N 2.98Å; A460-L463 PolarHBondContact O-N 2.87Å; A460-A464 WeakPolarHBondContact O-CB 3.43Å; A460-A464 PolarHBondContact O-N 3.04Å
461	Y	84.6	Confident	88	Confident	115 Å²	115	36.5 Å²	36.5	45%	0.451	18%	0.18	S	C	.	.	H	α-helix	trans	-62.8	-45	176.6	-167.3	-94.3	0	0	0	111.7	P149 T457 A458 V459 A464 D465	P149-Y461 HydrophobicContact CG-CD2 4.47Å; T457-Y461 WeakPolarHBondContact O-CB 3.33Å; T457-Y461 PolarHBondContact O-N 3.02Å; A458-Y461 PolarHBondContact O-N 2.83Å; V459-Y461 VanDerWaalsContact C-N 3.35Å; V459-Y461 PolarHBondContact O-N 2.9Å; Y461-A464 PolarHBondContact O-N 3.22Å; Y461-D465 PolarHBondContact O-N 3.46Å
462	R	85.2	Confident	88.4	Confident	16 Å²	16	43.3 Å²	43.3	6%	0.06	21%	0.21	C	C	.	.	H	α-helix	trans	-56.3	-51.6	174.1	172.6	-178.3	62.2	102.6	-15.8	111.8	D73 T75 E76 A458 V459 A464 D465 Q466	D73-R462 IonicContact OD1-CZ 3.41Å; D73-R462 IonicContact OD1-NE 3.25Å; D73-R462 IonicContact OD1-NH1 3.04Å; D73-R462 IonicContact OD1-NH2 3.63Å; D73-R462 IonicContact OD2-CZ 3.45Å; D73-R462 IonicContact OD2-NE 2.92Å; D73-R462 IonicContact OD2-NH1 2.66Å; D73-R462 PolarHBondContact OD2-NH1 3.45Å; D73-R462 IonicContact OD2-NH2 2.96Å; D73-R462 PolarHBondContact OD2-NH2 2.85Å; T75-R462 WeakPolarHBondContact OG1-CD 3.28Å; E76-R462 IonicContact OE1-CZ 3.28Å; E76-R462 IonicContact OE1-NE 2.66Å; E76-R462 PolarHBondContact OE1-NE 3.22Å; E76-R462 IonicContact OE1-NH2 2.83Å; E76-R462 PolarHBondContact OE1-NH2 2.93Å; A458-R462 VanDerWaalsContact O-CB 3.28Å; A458-R462 WeakPolarHBondContact O-CB 3.48Å; A458-R462 PolarHBondContact O-N 2.86Å; V459-R462 WeakPolarHBondContact O-CB 3.38Å; V459-R462 PolarHBondContact O-N 2.87Å; R462-A464 VanDerWaalsContact C-N 3.29Å; R462-A464 PolarHBondContact O-N 3.23Å; R462-D465 PolarHBondContact O-N 3.36Å; R462-Q466 HydrophobicContact CG-CG 4.23Å; R462-Q466 WeakPolarHBondContact O-CB 3.37Å; R462-Q466 VanDerWaalsContact O-CG 3.28Å; R462-Q466 WeakPolarHBondContact O-CG 3.3Å; R462-Q466 PolarHBondContact O-N 3.33Å
463	L	82.8	Confident	88.8	Confident	61 Å²	61	44.2 Å²	44.2	32%	0.319	22%	0.215	S	C	.	.	H	α-helix	trans	-61.8	-38.7	-178.2	-70.1	174.9	0	0	0	111.7	V459 A460 H467	V459-L463 HydrophobicContact CG1-CD1 3.98Å; V459-L463 HydrophobicContact CG1-CG 4.33Å; V459-L463 VanDerWaalsContact O-CG 3.3Å; V459-L463 WeakPolarHBondContact O-CG 3.5Å; V459-L463 PolarHBondContact O-N 3.41Å; A460-L463 PolarHBondContact O-N 2.87Å; L463-H467 WeakPolarHBondContact O-CB 3.43Å; L463-H467 PolarHBondContact O-N 3.32Å
464	A	83.4	Confident	89.1	Confident	56 Å²	56	44.2 Å²	44.2	46%	0.463	22%	0.215	S	C	.	.	H	α-helix	trans	-65.2	-42.4	175.5	0	0	0	0	0	112.2	A460 Y461 R462 H467 R468	A460-A464 WeakPolarHBondContact O-CB 3.43Å; A460-A464 PolarHBondContact O-N 3.04Å; Y461-A464 PolarHBondContact O-N 3.22Å; R462-A464 VanDerWaalsContact C-N 3.29Å; R462-A464 PolarHBondContact O-N 3.23Å; A464-H467 PolarHBondContact O-N 3.49Å; A464-R468 WeakPolarHBondContact O-CB 3.36Å; A464-R468 PolarHBondContact O-N 3.15Å
465	D	84.9	Confident	89.4	Confident	68 Å²	68	50.5 Å²	50.5	36%	0.364	25%	0.245	S	C	.	.	H	α-helix	trans	-69.1	-42.4	178.3	-162.5	51.5	0	0	0	111.8	Y461 R462 H467 R468 A469	Y461-D465 PolarHBondContact O-N 3.46Å; R462-D465 PolarHBondContact O-N 3.36Å; D465-H467 VanDerWaalsContact C-N 3.33Å; D465-H467 PolarHBondContact O-N 3.03Å; D465-R468 PolarHBondContact O-N 3.26Å; D465-A469 WeakPolarHBondContact O-CB 3.3Å; D465-A469 PolarHBondContact O-N 2.91Å
466	Q	85.6	Confident	89.7	Confident	36 Å²	36	54 Å²	54	17%	0.168	27%	0.268	C	S	.	.	H	α-helix	trans	-58.6	-44.5	172.6	-72.3	-178	-19.4	0	0	111.5	R462 A469 R470 L766	R462-Q466 HydrophobicContact CG-CG 4.23Å; R462-Q466 WeakPolarHBondContact O-CB 3.37Å; R462-Q466 VanDerWaalsContact O-CG 3.28Å; R462-Q466 WeakPolarHBondContact O-CG 3.3Å; R462-Q466 PolarHBondContact O-N 3.33Å; Q466-A469 PolarHBondContact O-N 3.03Å; Q466-R470 WeakPolarHBondContact O-CG 3.35Å; Q466-R470 PolarHBondContact O-N 2.79Å; Q466-L766 HydrophobicContact CB-CD2 3.84Å; Q466-L766 HydrophobicContact CG-CD2 3.73Å
467	H	85.4	Confident	90	Very high	90 Å²	90	54 Å²	54	42%	0.417	27%	0.267	S	S	.	.	H	α-helix	trans	-61.2	-46.9	175.4	178.3	-89.7	0	0	0	111.6	L463 A464 D465 A469 R470 Q471	L463-H467 WeakPolarHBondContact O-CB 3.43Å; L463-H467 PolarHBondContact O-N 3.32Å; A464-H467 PolarHBondContact O-N 3.49Å; D465-H467 VanDerWaalsContact C-N 3.33Å; D465-H467 PolarHBondContact O-N 3.03Å; H467-A469 VanDerWaalsContact C-N 3.31Å; H467-A469 PolarHBondContact O-N 3.32Å; H467-R470 PolarHBondContact O-N 3.14Å; H467-Q471 VanDerWaalsContact CE1-CG 3.45Å; H467-Q471 WeakPolarHBondContact CE1-CG 3.38Å; H467-Q471 PolarHBondContact NE2-NE2 3.33Å; H467-Q471 WeakPolarHBondContact O-CG 3.43Å; H467-Q471 PolarHBondContact O-N 2.85Å
468	R	88.3	Confident	90.3	Very high	167 Å²	167	58.3 Å²	58.3	63%	0.63	29%	0.287	S	S	*	.	H	α-helix	trans	-59.8	-41.5	176.4	-174.4	-175.1	-71.1	154.7	-4.1	111.8	A464 D465 Q471 K472	A464-R468 WeakPolarHBondContact O-CB 3.36Å; A464-R468 PolarHBondContact O-N 3.15Å; D465-R468 PolarHBondContact O-N 3.26Å; R468-Q471 PolarHBondContact O-N 3.01Å; R468-K472 WeakPolarHBondContact O-CB 3.47Å; R468-K472 PolarHBondContact O-N 3.34Å
469	A	91	Very high	90.6	Very high	28 Å²	28	59 Å²	59	23%	0.231	29%	0.291	C	S	.	.	H	α-helix	trans	-65	-36.4	178	0	0	0	0	0	112.8	D465 Q466 H467 T473 R764 L766	D465-A469 WeakPolarHBondContact O-CB 3.3Å; D465-A469 PolarHBondContact O-N 2.91Å; Q466-A469 PolarHBondContact O-N 3.03Å; H467-A469 VanDerWaalsContact C-N 3.31Å; H467-A469 PolarHBondContact O-N 3.32Å; A469-T473 PolarHBondContact O-OG1 3.02Å; A469-R764 PolarHBondContact O-NH1 3.48Å; A469-L766 HydrophobicContact CB-CD1 4.03Å; A469-L766 HydrophobicContact CB-CD2 4.28Å
470	R	93.6	Very high	91.1	Very high	31 Å²	31	61.3 Å²	61.3	12%	0.117	31%	0.307	C	S	.	.	H	α-helix	trans	-67.4	-50.9	172	-69.4	-168	-54.1	-87.5	3.9	111.3	Q466 H467 K472 T473 L474 F761 L766	Q466-R470 WeakPolarHBondContact O-CG 3.35Å; Q466-R470 PolarHBondContact O-N 2.79Å; H467-R470 PolarHBondContact O-N 3.14Å; R470-K472 VanDerWaalsContact C-N 3.3Å; R470-K472 PolarHBondContact O-N 3.47Å; R470-T473 WeakPolarHBondContact O-CB 3.47Å; R470-T473 PolarHBondContact O-N 3.47Å; R470-L474 WeakPolarHBondContact O-CG 3.23Å; R470-L474 PolarHBondContact O-N 2.87Å; R470-F761 HydrophobicContact CB-CE2 4.07Å; R470-F761 HydrophobicContact CB-CZ 3.89Å; R470-F761 HydrophobicContact CG-CD2 4.15Å; R470-F761 HydrophobicContact CG-CE1 4.49Å; R470-F761 HydrophobicContact CG-CE2 3.74Å; R470-F761 HydrophobicContact CG-CZ 3.91Å; R470-L766 HydrophobicContact CG-CB 4.3Å; R470-L766 HydrophobicContact CG-CD1 3.96Å
471	Q	92.8	Very high	91.7	Very high	50 Å²	50	64.4 Å²	64.4	23%	0.234	32%	0.317	C	S	.	.	H	α-helix	trans	-58.1	-42.2	-179.3	-70.1	-53.7	-29.6	0	0	112.2	H467 R468 T473 L474 E475 E821	H467-Q471 VanDerWaalsContact CE1-CG 3.45Å; H467-Q471 WeakPolarHBondContact CE1-CG 3.38Å; H467-Q471 PolarHBondContact NE2-NE2 3.33Å; H467-Q471 WeakPolarHBondContact O-CG 3.43Å; H467-Q471 PolarHBondContact O-N 2.85Å; R468-Q471 PolarHBondContact O-N 3.01Å; Q471-T473 PolarHBondContact O-N 3.31Å; Q471-L474 CarbonylContact O-C 3.55Å; Q471-L474 PolarHBondContact O-N 2.74Å; Q471-E475 VanDerWaalsContact O-CB 3.32Å; Q471-E475 WeakPolarHBondContact O-CB 3.42Å; Q471-E475 PolarHBondContact O-N 3Å; Q471-E821 PolarHBondContact NE2-OE1 2.96Å
472	K	94.9	Very high	92.3	Very high	157 Å²	157	64.6 Å²	64.6	68%	0.683	33%	0.326	S	S	*	.	H	α-helix	trans	-57.8	-32.9	176	-174.7	177.5	178.7	-177.9	0	113.2	R468 R470 P476	R468-K472 WeakPolarHBondContact O-CB 3.47Å; R468-K472 PolarHBondContact O-N 3.34Å; R470-K472 VanDerWaalsContact C-N 3.3Å; R470-K472 PolarHBondContact O-N 3.47Å; K472-P476 WeakPolarHBondContact O-CD 3.22Å
473	T	95.8	Very high	93	Very high	18 Å²	18	67.2 Å²	67.2	11%	0.11	34%	0.339	C	S	.	.	H	α-helix	trans	-79.8	-31.4	176.8	-59.6	0	0	0	0	112.4	A469 R470 Q471 P476 F725 F761 R764	A469-T473 PolarHBondContact O-OG1 3.02Å; R470-T473 WeakPolarHBondContact O-CB 3.47Å; R470-T473 PolarHBondContact O-N 3.47Å; Q471-T473 PolarHBondContact O-N 3.31Å; T473-P476 WeakPolarHBondContact O-CD 3.37Å; T473-F725 HydrophobicContact CG2-CE2 3.52Å; T473-F725 HydrophobicContact CG2-CZ 3.44Å; T473-F725 VanDerWaalsContact CG2-CZ 3.44Å; T473-F761 HydrophobicContact CG2-CE1 3.7Å; T473-F761 HydrophobicContact CG2-CZ 4.47Å; T473-R764 PolarHBondContact OG1-NH1 2.85Å; T473-R764 PolarHBondContact OG1-NH2 3.29Å
474	L	96.7	Very high	93.7	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-84.9	-23.8	-179.9	-62	179.4	0	0	0	113.2	R470 Q471 L477 I757 F761 E821 V822 V825	R470-L474 WeakPolarHBondContact O-CG 3.23Å; R470-L474 PolarHBondContact O-N 2.87Å; Q471-L474 CarbonylContact O-C 3.55Å; Q471-L474 PolarHBondContact O-N 2.74Å; L474-L477 HydrophobicContact CD2-CD1 4.13Å; L474-L477 WeakPolarHBondContact O-CB 3.44Å; L474-L477 PolarHBondContact O-N 3.49Å; L474-I757 HydrophobicContact CD2-CG2 4.23Å; L474-F761 HydrophobicContact CD1-CZ 4.41Å; L474-F761 HydrophobicContact CD2-CZ 4.12Å; L474-F761 HydrophobicContact CG-CZ 4.09Å; L474-E821 HydrophobicContact CD1-CG 4Å; L474-V822 HydrophobicContact CD2-CG2 4.21Å; L474-V825 HydrophobicContact CB-CG1 4.39Å; L474-V825 HydrophobicContact CD1-CG2 4.35Å; L474-V825 HydrophobicContact CD2-CG1 4.47Å
475	E	96.4	Very high	94.4	Very high	132 Å²	132	65 Å²	65	62%	0.617	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-54	-45.2	-178.4	177.4	177.9	-155.4	0	0	113.3	Q471 L477 Q478	Q471-E475 VanDerWaalsContact O-CB 3.32Å; Q471-E475 WeakPolarHBondContact O-CB 3.42Å; Q471-E475 PolarHBondContact O-N 3Å; E475-L477 PolarHBondContact O-N 2.84Å; E475-L477 VanDerWaalsContact O-N 3.1Å; E475-Q478 WeakPolarHBondContact O-CB 3.43Å; E475-Q478 PolarHBondContact O-N 2.89Å
476	P	96.5	Very high	95.1	Very high	74 Å²	74	64.3 Å²	64.3	48%	0.481	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-62.8	-18.3	176.9	-24.1	35.6	0	0	0	114.9	K472 T473 Q478 T723	K472-P476 WeakPolarHBondContact O-CD 3.22Å; T473-P476 WeakPolarHBondContact O-CD 3.37Å; P476-Q478 VanDerWaalsContact C-N 3.35Å; P476-T723 HydrophobicContact CB-CG2 3.98Å
477	L	97.4	Very high	95.7	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-83.6	-14	176.1	-61.1	165.5	0	0	0	112	L474 E475 L479 T723 I757 V825 V826 R829	L474-L477 HydrophobicContact CD2-CD1 4.13Å; L474-L477 WeakPolarHBondContact O-CB 3.44Å; L474-L477 PolarHBondContact O-N 3.49Å; E475-L477 PolarHBondContact O-N 2.84Å; E475-L477 VanDerWaalsContact O-N 3.1Å; L477-L479 PolarHBondContact O-N 2.83Å; L477-T723 HydrophobicContact CD2-CG2 3.59Å; L477-T723 HydrophobicContact CG-CG2 4.12Å; L477-I757 HydrophobicContact CD1-CD1 3.66Å; L477-V825 HydrophobicContact CB-CG1 3.5Å; L477-V825 HydrophobicContact CD1-CG1 3.89Å; L477-V825 HydrophobicContact CG-CG1 4.34Å; L477-V826 HydrophobicContact CD1-CG2 4.27Å; L477-R829 WeakPolarHBondContact O-CB 3.47Å; L477-R829 VanDerWaalsContact O-CD 3.27Å; L477-R829 WeakPolarHBondContact O-CD 3.3Å; L477-R829 VanDerWaalsContact O-CG 3.27Å; L477-R829 WeakPolarHBondContact O-CG 3.49Å
478	Q	96.7	Very high	96.3	Very high	91 Å²	91	59.8 Å²	59.8	43%	0.425	29%	0.292	S	S	.	.	S	Bend	trans	-90.5	105.7	-179.1	-60	-177.6	28.6	0	0	109.9	E475 P476 V825	E475-Q478 WeakPolarHBondContact O-CB 3.43Å; E475-Q478 PolarHBondContact O-N 2.89Å; P476-Q478 VanDerWaalsContact C-N 3.35Å; Q478-V825 HydrophobicContact CG-CG1 4.41Å
479	L	97.3	Very high	96.8	Very high	16 Å²	16	57.9 Å²	57.9	8%	0.084	29%	0.285	C	S	.	.			trans	-85.5	127.9	-177.7	-59.6	177	0	0	0	111.2	L477 L484 F721 R829 L833	L477-L479 PolarHBondContact O-N 2.83Å; L479-L484 HydrophobicContact CB-CD2 3.89Å; L479-L484 HydrophobicContact CB-CG 4.02Å; L479-L484 HydrophobicContact CD1-CD2 3.67Å; L479-L484 HydrophobicContact CG-CD2 4.44Å; L479-F721 HydrophobicContact CD2-CD1 4.01Å; L479-R829 HydrophobicContact CD1-CG 3.87Å; L479-R829 HydrophobicContact CG-CG 4.11Å; L479-L833 HydrophobicContact CD1-CD1 4.42Å; L479-L833 HydrophobicContact CD1-CD2 3.53Å; L479-L833 HydrophobicContact CD1-CG 3.72Å
480	S	98.1	Very high	97.2	Very high	53 Å²	53	58.8 Å²	58.8	37%	0.371	28%	0.282	S	S	.	.			trans	-72.3	161.9	169.8	64.8	0	0	0	0	111.9	D482 Q483 L484	S480-D482 VanDerWaalsContact C-N 3.3Å; S480-D482 PolarHBondContact O-N 2.96Å; S480-Q483 WeakPolarHBondContact O-CB 3.39Å; S480-Q483 PolarHBondContact O-N 2.84Å; S480-Q483 VanDerWaalsContact OG-CG 3.24Å; S480-Q483 WeakPolarHBondContact OG-CG 3.14Å; S480-Q483 PolarHBondContact OG-N 3.17Å; S480-Q483 PolarHBondContact OG-OE1 3.06Å; S480-L484 WeakPolarHBondContact O-CG 3.37Å; S480-L484 PolarHBondContact O-N 2.66Å; S480-L484 VanDerWaalsContact O-N 3.08Å
481	H	97.9	Very high	97.5	Very high	92 Å²	92	57.3 Å²	57.3	43%	0.426	28%	0.277	S	S	.	.	H	α-helix	trans	-56.6	-42.6	177.3	-176.4	79.9	0	0	0	112.5	Q483 L484 L485	H481-Q483 PolarHBondContact O-N 3.18Å; H481-L484 PolarHBondContact O-N 2.91Å; H481-L485 PolarHBondContact O-N 2.94Å
482	D	98.3	Very high	97.7	Very high	120 Å²	120	57.3 Å²	57.3	64%	0.642	28%	0.276	S	S	*	.	H	α-helix	trans	-66	-38.4	179.7	-66.1	-21.3	0	0	0	112.3	S480 L484 L485 E486	S480-D482 VanDerWaalsContact C-N 3.3Å; S480-D482 PolarHBondContact O-N 2.96Å; D482-L484 VanDerWaalsContact C-N 3.32Å; D482-L484 PolarHBondContact O-N 3.41Å; D482-L485 PolarHBondContact O-N 3.36Å; D482-E486 PolarHBondContact O-N 3.09Å
483	Q	98.4	Very high	97.9	Very high	71 Å²	71	52 Å²	52	33%	0.332	26%	0.257	S	S	.	.	H	α-helix	trans	-62.8	-40	174	-75.6	173.3	-58.1	0	0	111.6	S480 H481 E486 V487 F721	S480-Q483 WeakPolarHBondContact O-CB 3.39Å; S480-Q483 PolarHBondContact O-N 2.84Å; S480-Q483 VanDerWaalsContact OG-CG 3.24Å; S480-Q483 WeakPolarHBondContact OG-CG 3.14Å; S480-Q483 PolarHBondContact OG-N 3.17Å; S480-Q483 PolarHBondContact OG-OE1 3.06Å; H481-Q483 PolarHBondContact O-N 3.18Å; Q483-E486 PolarHBondContact O-N 3.35Å; Q483-V487 VanDerWaalsContact O-CG2 3.24Å; Q483-V487 WeakPolarHBondContact O-CG2 3.06Å; Q483-V487 PolarHBondContact O-N 2.97Å; Q483-F721 HydrophobicContact CB-CD1 4.45Å; Q483-F721 HydrophobicContact CB-CE1 3.66Å; Q483-F721 HydrophobicContact CB-CZ 4.48Å; Q483-F721 HydrophobicContact CG-CE1 3.83Å
484	L	98.7	Very high	98	Very high	7 Å²	7	51.5 Å²	51.5	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-68.8	-38.1	176.8	-66.3	172.2	0	0	0	112.6	L479 S480 H481 D482 E486 V487 K488 Q832 A836 T878 L882	L479-L484 HydrophobicContact CB-CD2 3.89Å; L479-L484 HydrophobicContact CB-CG 4.02Å; L479-L484 HydrophobicContact CD1-CD2 3.67Å; L479-L484 HydrophobicContact CG-CD2 4.44Å; S480-L484 WeakPolarHBondContact O-CG 3.37Å; S480-L484 PolarHBondContact O-N 2.66Å; S480-L484 VanDerWaalsContact O-N 3.08Å; H481-L484 PolarHBondContact O-N 2.91Å; D482-L484 VanDerWaalsContact C-N 3.32Å; D482-L484 PolarHBondContact O-N 3.41Å; L484-E486 VanDerWaalsContact C-N 3.28Å; L484-E486 PolarHBondContact O-N 2.95Å; L484-V487 PolarHBondContact O-N 3.27Å; L484-K488 PolarHBondContact O-N 3.33Å; L484-Q832 HydrophobicContact CD1-CB 4.08Å; L484-Q832 HydrophobicContact CD1-CG 4.31Å; L484-Q832 HydrophobicContact CD2-CB 3.79Å; L484-A836 HydrophobicContact CD2-CB 4.39Å; L484-T878 HydrophobicContact CD1-CG2 4.21Å; L484-L882 HydrophobicContact CB-CD1 3.88Å; L484-L882 HydrophobicContact CB-CD2 3.99Å
485	L	98.6	Very high	98.1	Very high	64 Å²	64	51.5 Å²	51.5	34%	0.335	25%	0.253	S	S	.	.	H	α-helix	trans	-60.9	-39	171.3	-77.5	173.1	0	0	0	111.8	H481 D482 K488 R489 L882	H481-L485 PolarHBondContact O-N 2.94Å; D482-L485 PolarHBondContact O-N 3.36Å; L485-K488 WeakPolarHBondContact O-CB 3.38Å; L485-K488 PolarHBondContact O-N 3.27Å; L485-R489 WeakPolarHBondContact O-CB 3.46Å; L485-R489 PolarHBondContact O-N 3.38Å; L485-L882 HydrophobicContact CD2-CD2 3.69Å; L485-L882 HydrophobicContact CG-CD2 3.76Å
486	E	98.6	Very high	98.2	Very high	53 Å²	53	50 Å²	50	25%	0.248	25%	0.246	C	C	.	.	H	α-helix	trans	-67.5	-41.7	176.6	179.4	58.3	-167.4	0	0	112	D482 Q483 L484 K488 R489 R490 F721	D482-E486 PolarHBondContact O-N 3.09Å; Q483-E486 PolarHBondContact O-N 3.35Å; L484-E486 VanDerWaalsContact C-N 3.28Å; L484-E486 PolarHBondContact O-N 2.95Å; E486-K488 VanDerWaalsContact C-N 3.35Å; E486-K488 PolarHBondContact O-N 3.29Å; E486-R489 PolarHBondContact O-N 3.43Å; E486-R489 IonicContact OE1-CZ 3.81Å; E486-R489 IonicContact OE1-NE 2.68Å; E486-R489 IonicContact OE1-NH2 3.53Å; E486-R489 PolarHBondContact OE1-NH2 3.3Å; E486-R489 IonicContact OE2-CZ 3.37Å; E486-R489 IonicContact OE2-NE 3.42Å; E486-R489 PolarHBondContact OE2-NE 3.27Å; E486-R489 IonicContact OE2-NH2 3.53Å; E486-R489 PolarHBondContact OE2-NH2 3.08Å; E486-R490 WeakPolarHBondContact O-CG 3.42Å; E486-R490 PolarHBondContact O-N 2.78Å; E486-R490 IonicContact OE1-CZ 3.98Å; E486-R490 IonicContact OE1-NE 3.27Å; E486-R490 PolarHBondContact OE1-NE 3.39Å; E486-R490 IonicContact OE1-NH2 3.71Å; E486-R490 PolarHBondContact OE1-NH2 3.28Å; E486-F721 HydrophobicContact CB-CZ 4.36Å; E486-F721 HydrophobicContact CG-CZ 4.15Å
487	V	98.7	Very high	98.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.1	-47.6	172.9	174.7	0	0	0	0	110.5	Q483 L484 R489 R490 M491 F712 F721 F741 L833 A836	Q483-V487 VanDerWaalsContact O-CG2 3.24Å; Q483-V487 WeakPolarHBondContact O-CG2 3.06Å; Q483-V487 PolarHBondContact O-N 2.97Å; L484-V487 PolarHBondContact O-N 3.27Å; V487-R489 VanDerWaalsContact C-N 3.35Å; V487-R489 PolarHBondContact O-N 3.07Å; V487-R490 PolarHBondContact O-N 3.05Å; V487-M491 PolarHBondContact O-N 3.22Å; V487-F712 HydrophobicContact CG1-CE1 4.05Å; V487-F721 HydrophobicContact CG2-CD1 4.35Å; V487-F721 HydrophobicContact CG2-CD2 3.93Å; V487-F721 HydrophobicContact CG2-CE1 4.19Å; V487-F721 HydrophobicContact CG2-CE2 3.73Å; V487-F721 HydrophobicContact CG2-CG 4.23Å; V487-F721 HydrophobicContact CG2-CZ 3.87Å; V487-F741 HydrophobicContact CG1-CE2 4.5Å; V487-L833 HydrophobicContact CG1-CD2 4.1Å; V487-L833 HydrophobicContact CG2-CD2 4.1Å; V487-A836 HydrophobicContact CB-CB 4.11Å; V487-A836 HydrophobicContact CG1-CB 3.88Å
488	K	98.7	Very high	98.3	Very high	30 Å²	30	51.7 Å²	51.7	13%	0.13	24%	0.243	C	C	.	.	H	α-helix	trans	-56.8	-47.1	175.3	175.9	-168.4	173.9	-168.5	0	111.5	L484 L485 E486 R490 M491 K492 A836 A839 A840 D843 L882	L484-K488 PolarHBondContact O-N 3.33Å; L485-K488 WeakPolarHBondContact O-CB 3.38Å; L485-K488 PolarHBondContact O-N 3.27Å; E486-K488 VanDerWaalsContact C-N 3.35Å; E486-K488 PolarHBondContact O-N 3.29Å; K488-R490 PolarHBondContact O-N 3.49Å; K488-M491 PolarHBondContact O-N 3.18Å; K488-K492 PolarHBondContact O-N 3.04Å; K488-K492 VanDerWaalsContact O-N 3.08Å; K488-A836 HydrophobicContact CB-CB 4.47Å; K488-A839 HydrophobicContact CD-CB 3.94Å; K488-A839 HydrophobicContact CG-CB 4.25Å; K488-A840 HydrophobicContact CG-CB 3.88Å; K488-A840 WeakPolarHBondContact O-CB 3.39Å; K488-D843 WeakPolarHBondContact CE-OD2 3.3Å; K488-D843 IonicContact NZ-OD2 2.77Å; K488-D843 PolarHBondContact NZ-OD2 3.12Å; K488-L882 HydrophobicContact CD-CB 4.25Å; K488-L882 PolarHBondContact NZ-O 3.41Å
489	R	98.7	Very high	98.3	Very high	127 Å²	127	47.6 Å²	47.6	48%	0.479	22%	0.224	S	C	.	.	H	α-helix	trans	-61.4	-44.6	179.3	-169.3	-166.2	67.7	74.1	0.6	111.4	L485 E486 V487 K492 V493	L485-R489 WeakPolarHBondContact O-CB 3.46Å; L485-R489 PolarHBondContact O-N 3.38Å; E486-R489 PolarHBondContact O-N 3.43Å; E486-R489 IonicContact OE1-CZ 3.81Å; E486-R489 IonicContact OE1-NE 2.68Å; E486-R489 IonicContact OE1-NH2 3.53Å; E486-R489 PolarHBondContact OE1-NH2 3.3Å; E486-R489 IonicContact OE2-CZ 3.37Å; E486-R489 IonicContact OE2-NE 3.42Å; E486-R489 PolarHBondContact OE2-NE 3.27Å; E486-R489 IonicContact OE2-NH2 3.53Å; E486-R489 PolarHBondContact OE2-NH2 3.08Å; V487-R489 VanDerWaalsContact C-N 3.35Å; V487-R489 PolarHBondContact O-N 3.07Å; R489-K492 PolarHBondContact O-N 3.26Å; R489-V493 PolarHBondContact O-N 3.01Å
490	R	98.7	Very high	98.3	Very high	47 Å²	47	48 Å²	48	18%	0.177	23%	0.228	C	C	.	.	H	α-helix	trans	-65.4	-40.9	177.8	-70.1	-177.8	-167.7	175.9	12.5	111.9	E486 V487 K488 K492 V493 E494 F712 C717 D720	E486-R490 WeakPolarHBondContact O-CG 3.42Å; E486-R490 PolarHBondContact O-N 2.78Å; E486-R490 IonicContact OE1-CZ 3.98Å; E486-R490 IonicContact OE1-NE 3.27Å; E486-R490 PolarHBondContact OE1-NE 3.39Å; E486-R490 IonicContact OE1-NH2 3.71Å; E486-R490 PolarHBondContact OE1-NH2 3.28Å; V487-R490 PolarHBondContact O-N 3.05Å; K488-R490 PolarHBondContact O-N 3.49Å; R490-K492 VanDerWaalsContact C-N 3.32Å; R490-K492 PolarHBondContact O-N 3.36Å; R490-V493 PolarHBondContact O-N 3Å; R490-E494 PolarHBondContact O-N 3.12Å; R490-F712 HydrophobicContact CB-CE2 4.05Å; R490-F712 HydrophobicContact CB-CZ 3.77Å; R490-C717 VanDerWaalsContact CD-O 3.24Å; R490-C717 WeakPolarHBondContact CD-O 3.46Å; R490-C717 PolarHBondContact NH1-O 3.46Å; R490-D720 IonicContact CZ-OD1 3.26Å; R490-D720 IonicContact CZ-OD2 3.14Å; R490-D720 VanDerWaalsContact CZ-OD2 3.31Å; R490-D720 IonicContact NH1-OD1 3.86Å; R490-D720 PolarHBondContact NH1-OD1 3.49Å; R490-D720 IonicContact NH1-OD2 2.64Å; R490-D720 PolarHBondContact NH1-OD2 2.62Å; R490-D720 IonicContact NH2-OD1 3.6Å; R490-D720 IonicContact NH2-OD2 2.96Å; R490-D720 PolarHBondContact NH2-OD2 3.44Å
491	M	98.8	Very high	98.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-56.7	-47.6	173.9	178.2	61.1	80.5	0	0	110.8	V487 K488 V493 E494 M495 V509 M707 W709 F712 F741 A840	V487-M491 PolarHBondContact O-N 3.22Å; K488-M491 PolarHBondContact O-N 3.18Å; M491-V493 VanDerWaalsContact C-N 3.34Å; M491-V493 PolarHBondContact O-N 3.33Å; M491-E494 PolarHBondContact O-N 3.17Å; M491-E494 VanDerWaalsContact O-N 3.12Å; M491-M495 HydrophobicContact CG-CG 4.41Å; M491-M495 HydrophobicContact CG-SD 4.16Å; M491-M495 VanDerWaalsContact O-CG 3.3Å; M491-M495 WeakPolarHBondContact O-CG 3.44Å; M491-M495 PolarHBondContact O-N 2.97Å; M491-M495 HydrophobicContact SD-CG 4.41Å; M491-V509 HydrophobicContact SD-CG2 4.34Å; M491-M707 HydrophobicContact SD-CE 4.12Å; M491-W709 HydrophobicContact CE-CB 4.21Å; M491-W709 HydrophobicContact CE-CE3 4.34Å; M491-F712 HydrophobicContact CB-CE1 4.11Å; M491-F712 HydrophobicContact CB-CZ 4.12Å; M491-F712 HydrophobicContact CE-CB 3.93Å; M491-F712 HydrophobicContact CE-CD1 3.24Å; M491-F712 HydrophobicContact CE-CE1 3.81Å; M491-F712 HydrophobicContact CE-CG 3.68Å; M491-F712 HydrophobicContact SD-CD1 4.2Å; M491-F712 HydrophobicContact SD-CG 4.22Å; M491-F741 HydrophobicContact CE-CD1 4.19Å; M491-F741 HydrophobicContact CE-CE1 3.74Å; M491-F741 HydrophobicContact CE-CZ 4.04Å; M491-A840 HydrophobicContact CB-CB 3.9Å; M491-A840 HydrophobicContact CG-CB 3.77Å
492	K	98.3	Very high	98.1	Very high	50 Å²	50	56.9 Å²	56.9	22%	0.217	26%	0.262	C	S	.	.	H	α-helix	trans	-58.7	-42.3	178.7	-171.8	179.5	176.3	-174	0	113	K488 R489 R490 E494 M495 E496 A840 E847	K488-K492 PolarHBondContact O-N 3.04Å; K488-K492 VanDerWaalsContact O-N 3.08Å; R489-K492 PolarHBondContact O-N 3.26Å; R490-K492 VanDerWaalsContact C-N 3.32Å; R490-K492 PolarHBondContact O-N 3.36Å; K492-E494 VanDerWaalsContact C-N 3.35Å; K492-M495 WeakPolarHBondContact O-CB 3.41Å; K492-M495 PolarHBondContact O-N 3.26Å; K492-E496 WeakPolarHBondContact O-CG 3.48Å; K492-E496 PolarHBondContact O-N 2.8Å; K492-A840 HydrophobicContact CB-CB 4.44Å; K492-E847 IonicContact NZ-OE1 3.34Å; K492-E847 PolarHBondContact NZ-OE1 3.18Å; K492-E847 VanDerWaalsContact NZ-OE1 3.11Å; K492-E847 IonicContact NZ-OE2 3.67Å; K492-E847 PolarHBondContact NZ-OE2 3.16Å
493	V	98.3	Very high	98	Very high	47 Å²	47	53.2 Å²	53.2	29%	0.285	24%	0.243	S	C	.	.	H	α-helix	trans	-62.5	-41.9	175.5	171.8	0	0	0	0	111.5	R489 R490 M491 M495 E496 R497	R489-V493 PolarHBondContact O-N 3.01Å; R490-V493 PolarHBondContact O-N 3Å; M491-V493 VanDerWaalsContact C-N 3.34Å; M491-V493 PolarHBondContact O-N 3.33Å; V493-M495 VanDerWaalsContact C-N 3.35Å; V493-E496 PolarHBondContact O-N 2.83Å; V493-R497 WeakPolarHBondContact O-CG 3.43Å; V493-R497 PolarHBondContact O-N 2.88Å
494	E	98.5	Very high	97.9	Very high	6 Å²	6	51.7 Å²	51.7	3%	0.028	24%	0.236	C	C	.	.	H	α-helix	trans	-70.9	-30.6	178.3	-64.3	-58.8	158.7	0	0	112.4	R490 M491 K492 R497 G498 P508 V509 F712 N715	R490-E494 PolarHBondContact O-N 3.12Å; M491-E494 PolarHBondContact O-N 3.17Å; M491-E494 VanDerWaalsContact O-N 3.12Å; K492-E494 VanDerWaalsContact C-N 3.35Å; E494-R497 PolarHBondContact O-N 3.07Å; E494-R497 IonicContact OE1-CZ 3.64Å; E494-R497 IonicContact OE1-NH1 2.76Å; E494-R497 PolarHBondContact OE1-NH1 2.96Å; E494-R497 WeakPolarHBondContact OE2-CD 3.36Å; E494-R497 IonicContact OE2-NH1 3.12Å; E494-G498 PolarHBondContact O-N 3.4Å; E494-P508 HydrophobicContact CG-CG 4.33Å; E494-P508 WeakPolarHBondContact OE2-CD 3.23Å; E494-P508 WeakPolarHBondContact OE2-CG 3.5Å; E494-V509 HydrophobicContact CB-CB 4.18Å; E494-V509 HydrophobicContact CB-CG2 3.82Å; E494-F712 HydrophobicContact CB-CD2 4.35Å; E494-F712 HydrophobicContact CG-CD2 3.97Å; E494-F712 HydrophobicContact CG-CE2 3.95Å; E494-N715 PolarHBondContact OE1-ND2 3.47Å
495	M	98.6	Very high	97.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.9	-46.8	169.7	-66	168.6	75.6	0	0	111.5	M491 K492 V493 R497 G498 L499 M511 Y686 M707 A840 V841 K844	M491-M495 HydrophobicContact CG-CG 4.41Å; M491-M495 HydrophobicContact CG-SD 4.16Å; M491-M495 VanDerWaalsContact O-CG 3.3Å; M491-M495 WeakPolarHBondContact O-CG 3.44Å; M491-M495 PolarHBondContact O-N 2.97Å; M491-M495 HydrophobicContact SD-CG 4.41Å; K492-M495 WeakPolarHBondContact O-CB 3.41Å; K492-M495 PolarHBondContact O-N 3.26Å; V493-M495 VanDerWaalsContact C-N 3.35Å; M495-R497 VanDerWaalsContact C-N 3.31Å; M495-R497 PolarHBondContact O-N 3.01Å; M495-G498 PolarHBondContact O-N 3.19Å; M495-L499 WeakPolarHBondContact O-CG 3.48Å; M495-L499 PolarHBondContact O-N 2.92Å; M495-L499 VanDerWaalsContact O-N 3.1Å; M495-M511 HydrophobicContact CB-CE 4.09Å; M495-M511 HydrophobicContact CB-SD 4.14Å; M495-M511 HydrophobicContact CE-CE 4.16Å; M495-M511 HydrophobicContact CG-CE 4.25Å; M495-M511 HydrophobicContact CG-SD 4.05Å; M495-Y686 HydrophobicContact CE-CD1 4.37Å; M495-Y686 HydrophobicContact CE-CE1 3.48Å; M495-Y686 VanDerWaalsContact CE-CE1 3.48Å; M495-M707 HydrophobicContact CE-CE 3.99Å; M495-M707 HydrophobicContact CG-CE 3.83Å; M495-M707 HydrophobicContact SD-CE 3.93Å; M495-A840 HydrophobicContact SD-CB 4.36Å; M495-V841 HydrophobicContact CE-CG2 4.02Å; M495-V841 HydrophobicContact SD-CG2 4.38Å; M495-K844 HydrophobicContact CB-CD 4.4Å; M495-K844 HydrophobicContact CE-CB 4.3Å; M495-K844 HydrophobicContact CE-CD 3.45Å; M495-K844 VanDerWaalsContact CE-CD 3.45Å; M495-K844 HydrophobicContact CE-CG 4.5Å; M495-K844 HydrophobicContact SD-CD 4.26Å
496	E	98.3	Very high	97.3	Very high	101 Å²	101	59.2 Å²	59.2	47%	0.472	29%	0.287	S	S	.	.	H	α-helix	trans	-60.2	-41.9	176.7	-70.8	168.7	-173.4	0	0	111.3	K492 V493 G498 L499 S500	K492-E496 WeakPolarHBondContact O-CG 3.48Å; K492-E496 PolarHBondContact O-N 2.8Å; V493-E496 PolarHBondContact O-N 2.83Å; E496-G498 PolarHBondContact O-N 3.44Å; E496-L499 PolarHBondContact O-N 3.08Å; E496-S500 PolarHBondContact O-N 2.85Å; E496-S500 VanDerWaalsContact O-N 3.09Å
497	R	97.8	Very high	97.2	Very high	111 Å²	111	56.8 Å²	56.8	42%	0.419	28%	0.276	S	S	.	.	H	α-helix	trans	-64.4	-38.6	176.8	-74.3	172.3	170.8	-175.9	-5.2	113.4	V493 E494 M495 L499 T503 H504 A507	V493-R497 WeakPolarHBondContact O-CG 3.43Å; V493-R497 PolarHBondContact O-N 2.88Å; E494-R497 PolarHBondContact O-N 3.07Å; E494-R497 IonicContact OE1-CZ 3.64Å; E494-R497 IonicContact OE1-NH1 2.76Å; E494-R497 PolarHBondContact OE1-NH1 2.96Å; E494-R497 WeakPolarHBondContact OE2-CD 3.36Å; E494-R497 IonicContact OE2-NH1 3.12Å; M495-R497 VanDerWaalsContact C-N 3.31Å; M495-R497 PolarHBondContact O-N 3.01Å; R497-L499 VanDerWaalsContact C-N 3.35Å; R497-T503 VanDerWaalsContact CA-OG1 3.24Å; R497-T503 WeakPolarHBondContact CA-OG1 3.5Å; R497-T503 CarbonylContact O-C 3.42Å; R497-T503 PolarHBondContact O-OG1 3.17Å; R497-H504 PolarHBondContact O-N 3.37Å; R497-A507 HydrophobicContact CB-CB 4.04Å
498	G	97.5	Very high	96.9	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-69.1	-33.4	178.5	0	0	0	0	0	112.9	E494 M495 E496 H504 V509	E494-G498 PolarHBondContact O-N 3.4Å; M495-G498 PolarHBondContact O-N 3.19Å; E496-G498 PolarHBondContact O-N 3.44Å; G498-H504 PolarHBondContact O-ND1 3.25Å; G498-V509 VanDerWaalsContact CA-O 3.29Å; G498-V509 WeakPolarHBondContact CA-O 3.48Å
499	L	97.7	Very high	96.8	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.026	28%	0.275	C	S	.	.	H	α-helix	trans	-78.8	-31.6	179.2	-72.7	169.1	0	0	0	113.4	M495 E496 R497 M511 E688 N692 V693 E694 V705	M495-L499 WeakPolarHBondContact O-CG 3.48Å; M495-L499 PolarHBondContact O-N 2.92Å; M495-L499 VanDerWaalsContact O-N 3.1Å; E496-L499 PolarHBondContact O-N 3.08Å; R497-L499 VanDerWaalsContact C-N 3.35Å; L499-M511 HydrophobicContact CD1-CE 4.06Å; L499-M511 HydrophobicContact CD2-CB 3.9Å; L499-M511 HydrophobicContact CD2-CE 4.16Å; L499-M511 HydrophobicContact CG-CB 3.96Å; L499-M511 HydrophobicContact CG-CE 3.97Å; L499-M511 HydrophobicContact CG-CG 4.14Å; L499-E688 HydrophobicContact CD1-CG 4.26Å; L499-E688 HydrophobicContact CD2-CG 4.23Å; L499-N692 WeakPolarHBondContact CB-O 3.49Å; L499-V693 HydrophobicContact CD2-CG2 4.26Å; L499-E694 PolarHBondContact O-N 3.34Å; L499-V705 HydrophobicContact CD2-CG1 4.39Å; L499-V705 HydrophobicContact CD2-CG2 4.26Å
500	S	97.4	Very high	96.6	Very high	23 Å²	23	52.8 Å²	52.8	16%	0.161	26%	0.264	C	S	.	.	S	Bend	trans	-73.6	131.5	-179.2	168.8	0	0	0	0	112.3	E496 E502 T503 H504 E694	E496-S500 PolarHBondContact O-N 2.85Å; E496-S500 VanDerWaalsContact O-N 3.09Å; S500-E502 PolarHBondContact O-N 3.27Å; S500-E502 PolarHBondContact OG-N 2.95Å; S500-T503 WeakPolarHBondContact CB-OG1 3.36Å; S500-T503 PolarHBondContact O-N 2.84Å; S500-H504 VanDerWaalsContact O-CB 3.23Å; S500-H504 WeakPolarHBondContact O-CB 3.31Å; S500-H504 PolarHBondContact O-N 3.1Å; S500-E694 VanDerWaalsContact CA-OE2 3.31Å; S500-E694 WeakPolarHBondContact CA-OE2 3.34Å; S500-E694 PolarHBondContact OG-OE2 3.06Å
501	K	95.4	Very high	96.6	Very high	153 Å²	153	50.5 Å²	50.5	67%	0.665	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-31	179.7	-174.7	173.7	-175.9	168.3	0	112.3	E694	K501-E694 HydrophobicContact CB-CB 3.89Å; K501-E694 PolarHBondContact N-OE2 3.06Å
502	E	96.2	Very high	96.4	Very high	180 Å²	180	50.9 Å²	50.9	84%	0.841	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-36.5	180	-62.9	-171.2	168.5	0	0	112.4	S500	S500-E502 PolarHBondContact O-N 3.27Å; S500-E502 PolarHBondContact OG-N 2.95Å
503	T	97.1	Very high	96.3	Very high	42 Å²	42	49.1 Å²	49.1	26%	0.258	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-14	-172.5	52	0	0	0	0	114.7	R497 S500 A505 I506 A507	R497-T503 VanDerWaalsContact CA-OG1 3.24Å; R497-T503 WeakPolarHBondContact CA-OG1 3.5Å; R497-T503 CarbonylContact O-C 3.42Å; R497-T503 PolarHBondContact O-OG1 3.17Å; S500-T503 WeakPolarHBondContact CB-OG1 3.36Å; S500-T503 PolarHBondContact O-N 2.84Å; T503-A505 VanDerWaalsContact C-N 3.27Å; T503-A505 PolarHBondContact O-N 2.64Å; T503-A505 VanDerWaalsContact O-N 3.13Å; T503-I506 VanDerWaalsContact O-CG1 3.28Å; T503-I506 WeakPolarHBondContact O-CG1 3.26Å; T503-I506 PolarHBondContact O-N 3.16Å; T503-I506 VanDerWaalsContact O-N 3.1Å; T503-A507 PolarHBondContact O-N 2.81Å
504	H	95.6	Very high	96.1	Very high	39 Å²	39	47 Å²	47	18%	0.181	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-40.6	-174.5	176.9	80.4	0	0	0	114.3	R497 G498 S500 I506 A507 K510 L695	R497-H504 PolarHBondContact O-N 3.37Å; G498-H504 PolarHBondContact O-ND1 3.25Å; S500-H504 VanDerWaalsContact O-CB 3.23Å; S500-H504 WeakPolarHBondContact O-CB 3.31Å; S500-H504 PolarHBondContact O-N 3.1Å; H504-I506 VanDerWaalsContact C-N 3.26Å; H504-I506 PolarHBondContact O-N 2.96Å; H504-A507 PolarHBondContact O-N 3.15Å; H504-K510 PolarHBondContact CE1-O 2.81Å; H504-K510 PolarHBondContact ND1-O 2.89Å; H504-K510 VanDerWaalsContact ND1-O 3.09Å; H504-K510 PolarHBondContact O-NZ 3.14Å; H504-L695 HydrophobicContact CB-CD2 3.83Å; H504-L695 VanDerWaalsContact CE1-CD1 3.46Å; H504-L695 WeakPolarHBondContact CE1-CD1 3.36Å; H504-L695 VanDerWaalsContact ND1-CD1 3.34Å; H504-L695 WeakPolarHBondContact ND1-CD1 3.19Å
505	A	91.8	Very high	95.8	Very high	84 Å²	84	49.8 Å²	49.8	69%	0.694	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-39.2	-178	0	0	0	0	0	112.5	T503 K510	T503-A505 VanDerWaalsContact C-N 3.27Å; T503-A505 PolarHBondContact O-N 2.64Å; T503-A505 VanDerWaalsContact O-N 3.13Å; A505-K510 PolarHBondContact O-NZ 3.35Å
506	I	93.1	Very high	95.6	Very high	145 Å²	145	50 Å²	50	74%	0.744	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-9	-178.2	62.5	168.7	0	0	0	113.6	T503 H504	T503-I506 VanDerWaalsContact O-CG1 3.28Å; T503-I506 WeakPolarHBondContact O-CG1 3.26Å; T503-I506 PolarHBondContact O-N 3.16Å; T503-I506 VanDerWaalsContact O-N 3.1Å; H504-I506 VanDerWaalsContact C-N 3.26Å; H504-I506 PolarHBondContact O-N 2.96Å
507	A	95.3	Very high	95.3	Very high	3 Å²	3	48.2 Å²	48.2	3%	0.025	25%	0.248	C	C	.	.			trans	-64.7	130.8	178.4	0	0	0	0	0	110.7	R497 T503 H504 K510	R497-A507 HydrophobicContact CB-CB 4.04Å; T503-A507 PolarHBondContact O-N 2.81Å; H504-A507 PolarHBondContact O-N 3.15Å; A507-K510 WeakPolarHBondContact O-CD 3.36Å; A507-K510 VanDerWaalsContact O-CE 3.26Å; A507-K510 WeakPolarHBondContact O-CE 3.18Å; A507-K510 PolarHBondContact O-NZ 2.77Å
508	P	93.6	Very high	94.9	Very high	15 Å²	15	44.2 Å²	44.2	10%	0.097	24%	0.239	C	C	.	.	S	Bend	trans	-69.9	-45	173.2	27.5	-33.2	0	0	0	111.7	E494 K510 A711 D714 N715	E494-P508 HydrophobicContact CG-CG 4.33Å; E494-P508 WeakPolarHBondContact OE2-CD 3.23Å; E494-P508 WeakPolarHBondContact OE2-CG 3.5Å; P508-K510 PolarHBondContact O-N 2.96Å; P508-A711 WeakPolarHBondContact CB-O 3.33Å; P508-A711 VanDerWaalsContact O-CB 3.26Å; P508-A711 WeakPolarHBondContact O-CB 3.48Å; P508-D714 HydrophobicContact CB-CB 4.27Å; P508-N715 HydrophobicContact CG-CB 4.39Å
509	V	96.8	Very high	94.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-81.8	112.2	173.3	-177.1	0	0	0	0	107.4	M491 E494 G498 M511 M707 F712	M491-V509 HydrophobicContact SD-CG2 4.34Å; E494-V509 HydrophobicContact CB-CB 4.18Å; E494-V509 HydrophobicContact CB-CG2 3.82Å; G498-V509 VanDerWaalsContact CA-O 3.29Å; G498-V509 WeakPolarHBondContact CA-O 3.48Å; V509-M511 HydrophobicContact CG1-CG 4.09Å; V509-M511 HydrophobicContact CG1-SD 3.63Å; V509-M707 HydrophobicContact CG1-CB 4.29Å; V509-M707 VanDerWaalsContact CG1-O 3.3Å; V509-M707 WeakPolarHBondContact CG1-O 3.32Å; V509-F712 HydrophobicContact CG2-CB 3.79Å; V509-F712 HydrophobicContact CG2-CD2 4.33Å; V509-F712 HydrophobicContact CG2-CG 4.4Å
510	K	94.6	Very high	94.1	Very high	57 Å²	57	45.6 Å²	45.6	25%	0.248	25%	0.247	C	C	.	.			trans	-81.4	-27.3	-165.3	-72.6	-59.1	-173	-164.8	0	114.4	H504 A505 A507 P508 L512 M707 E708	H504-K510 PolarHBondContact CE1-O 2.81Å; H504-K510 PolarHBondContact ND1-O 2.89Å; H504-K510 VanDerWaalsContact ND1-O 3.09Å; H504-K510 PolarHBondContact O-NZ 3.14Å; A505-K510 PolarHBondContact O-NZ 3.35Å; A507-K510 WeakPolarHBondContact O-CD 3.36Å; A507-K510 VanDerWaalsContact O-CE 3.26Å; A507-K510 WeakPolarHBondContact O-CE 3.18Å; A507-K510 PolarHBondContact O-NZ 2.77Å; P508-K510 PolarHBondContact O-N 2.96Å; K510-L512 VanDerWaalsContact C-N 3.33Å; K510-L512 HydrophobicContact CB-CD1 4.26Å; K510-L512 HydrophobicContact CB-CD2 3.81Å; K510-L512 HydrophobicContact CB-CG 3.74Å; K510-L512 PolarHBondContact O-N 2.83Å; K510-M707 PolarHBondContact N-O 3.15Å; K510-M707 VanDerWaalsContact N-O 3.15Å; K510-E708 HydrophobicContact CB-CB 4.49Å
511	M	97.3	Very high	93.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.265	C	S	.	.			trans	52.5	52.6	178.6	-53.1	-61.1	-66.9	0	0	111.8	M495 L499 V509 P513 Y686 V705 N706 M707	M495-M511 HydrophobicContact CB-CE 4.09Å; M495-M511 HydrophobicContact CB-SD 4.14Å; M495-M511 HydrophobicContact CE-CE 4.16Å; M495-M511 HydrophobicContact CG-CE 4.25Å; M495-M511 HydrophobicContact CG-SD 4.05Å; L499-M511 HydrophobicContact CD1-CE 4.06Å; L499-M511 HydrophobicContact CD2-CB 3.9Å; L499-M511 HydrophobicContact CD2-CE 4.16Å; L499-M511 HydrophobicContact CG-CB 3.96Å; L499-M511 HydrophobicContact CG-CE 3.97Å; L499-M511 HydrophobicContact CG-CG 4.14Å; V509-M511 HydrophobicContact CG1-CG 4.09Å; V509-M511 HydrophobicContact CG1-SD 3.63Å; M511-P513 WeakPolarHBondContact O-CD 3.49Å; M511-Y686 HydrophobicContact CE-CE1 3.48Å; M511-Y686 VanDerWaalsContact CE-CE1 3.48Å; M511-Y686 WeakPolarHBondContact CE-OH 3.44Å; M511-V705 VanDerWaalsContact CA-CG1 3.45Å; M511-V705 HydrophobicContact CB-CG1 3.74Å; M511-V705 HydrophobicContact CE-CG1 3.72Å; M511-V705 HydrophobicContact SD-CG1 4.37Å; M511-N706 CarbonylContact C-O 3.59Å; M511-N706 WeakPolarHBondContact CA-O 3.39Å; M511-M707 HydrophobicContact CE-CG 4.23Å; M511-M707 PolarHBondContact N-O 2.85Å; M511-M707 HydrophobicContact SD-CB 3.97Å; M511-M707 HydrophobicContact SD-CE 4.4Å; M511-M707 HydrophobicContact SD-CG 3.8Å
512	L	95.5	Very high	92.9	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.042	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	124.2	-173.7	-61.3	169.8	0	0	0	111	K510 C606 L617 N706 E708	K510-L512 VanDerWaalsContact C-N 3.33Å; K510-L512 HydrophobicContact CB-CD1 4.26Å; K510-L512 HydrophobicContact CB-CD2 3.81Å; K510-L512 HydrophobicContact CB-CG 3.74Å; K510-L512 PolarHBondContact O-N 2.83Å; L512-C606 WeakPolarHBondContact CD1-O 3.26Å; L512-L617 HydrophobicContact CD1-CD1 4.46Å; L512-L617 HydrophobicContact CD2-CD1 4.46Å; L512-N706 HydrophobicContact CB-CB 4.37Å; L512-N706 PolarHBondContact N-O 3.19Å; L512-N706 PolarHBondContact O-N 2.85Å; L512-E708 HydrophobicContact CD1-CG 3.6Å; L512-E708 HydrophobicContact CG-CG 4.5Å
513	P	95.6	Very high	92.4	Very high	12 Å²	12	39 Å²	39	8%	0.078	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	134.2	172.7	-20.9	32.9	0	0	0	111.2	M511 Y515 V693 L695 V696 M703	M511-P513 WeakPolarHBondContact O-CD 3.49Å; P513-Y515 HydrophobicContact CB-CE2 4.27Å; P513-V693 HydrophobicContact CB-CG1 4.47Å; P513-V693 HydrophobicContact CG-CG1 4.03Å; P513-L695 HydrophobicContact CG-CB 4.08Å; P513-L695 HydrophobicContact CG-CD1 4.17Å; P513-V696 HydrophobicContact CB-CG2 3.61Å; P513-V696 HydrophobicContact CG-CG2 3.67Å; P513-M703 HydrophobicContact CB-SD 3.56Å; P513-M703 VanDerWaalsContact CB-SD 3.56Å
514	T	94.4	Very high	91.9	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.012	23%	0.226	C	C	.	.			trans	-104.7	-7.8	-177.8	68.6	0	0	0	0	113.6	V516 V659 C704 N706	T514-V516 PolarHBondContact O-N 2.97Å; T514-V516 PolarHBondContact OG1-N 2.87Å; T514-V659 HydrophobicContact CG2-CG2 3.77Å; T514-C704 WeakPolarHBondContact CB-O 3Å; T514-C704 VanDerWaalsContact CG2-O 3.25Å; T514-C704 WeakPolarHBondContact CG2-O 3.28Å; T514-C704 PolarHBondContact N-O 3.11Å; T514-C704 WeakPolarHBondContact OG1-CB 3.3Å; T514-C704 PolarHBondContact OG1-O 3.36Å; T514-N706 HydrophobicContact CG2-CB 3.83Å
515	Y	93.2	Very high	91.6	Very high	65 Å²	65	42 Å²	42	26%	0.255	25%	0.247	S	C	.	.			trans	59.2	11.6	-172.3	-61.6	-97.3	0	0	0	115	P513 C517 Q608 N609 V696 M703	P513-Y515 HydrophobicContact CB-CE2 4.27Å; Y515-C517 PolarHBondContact O-N 3.31Å; Y515-Q608 HydrophobicContact CD2-CB 3.96Å; Y515-Q608 HydrophobicContact CE2-CB 4.04Å; Y515-Q608 VanDerWaalsContact CE2-O 3.32Å; Y515-Q608 WeakPolarHBondContact CE2-O 3.43Å; Y515-N609 WeakPolarHBondContact CE1-O 3.38Å; Y515-N609 PolarHBondContact OH-O 2.7Å; Y515-V696 HydrophobicContact CE1-CG1 4.3Å; Y515-M703 HydrophobicContact CD1-CE 4.2Å; Y515-M703 HydrophobicContact CG-CE 4.46Å
516	V	93	Very high	91.5	Very high	6 Å²	6	39.2 Å²	39.2	4%	0.036	23%	0.225	C	C	.	.			trans	-85.6	100.7	168.4	-177.8	0	0	0	0	108.8	T514 L611 V659 M663 C704 I904	T514-V516 PolarHBondContact O-N 2.97Å; T514-V516 PolarHBondContact OG1-N 2.87Å; V516-L611 HydrophobicContact CG2-CD1 3.81Å; V516-V659 HydrophobicContact CG2-CG1 4.11Å; V516-M663 HydrophobicContact CG1-CE 4Å; V516-M663 HydrophobicContact CG1-SD 4.02Å; V516-C704 HydrophobicContact CB-CB 4.08Å; V516-C704 PolarHBondContact O-N 3.35Å; V516-I904 HydrophobicContact CG2-CD1 4.44Å; V516-I904 HydrophobicContact CG2-CG1 4.5Å; V516-I904 HydrophobicContact CG2-CG2 3.86Å
517	C	91.9	Very high	91.4	Very high	63 Å²	63	34.6 Å²	34.6	43%	0.426	20%	0.202	S	C	.	.			trans	-93.1	-6.9	-172.4	-58.2	0	0	0	0	115	Y515 R702	Y515-C517 PolarHBondContact O-N 3.31Å; C517-R702 CarbonylContact C-O 3.5Å; C517-R702 WeakPolarHBondContact CA-O 3.14Å; C517-R702 WeakPolarHBondContact CB-O 3.33Å
518	A	89.3	Confident	91.3	Very high	27 Å²	27	34.7 Å²	34.7	22%	0.223	20%	0.202	C	C	.	.			trans	-148.6	145	-179.9	0	0	0	0	0	111.6	M663	A518-M663 VanDerWaalsContact O-CE 3.32Å; A518-M663 WeakPolarHBondContact O-CE 3.43Å
519	T	90.3	Very high	91.3	Very high	23 Å²	23	34 Å²	34	14%	0.141	20%	0.198	C	C	.	.			trans	-75	166.5	165.9	54.4	0	0	0	0	110.4	M663 M687	T519-M663 HydrophobicContact CG2-SD 4.39Å; T519-M687 HydrophobicContact CG2-CG 4.25Å; T519-M687 HydrophobicContact CG2-SD 4.35Å
520	P	88.3	Confident	91.2	Very high	10 Å²	10	34 Å²	34	7%	0.065	20%	0.198	C	C	.	.			trans	-61.1	143.8	174.4	-20.4	34.5	0	0	0	111.5	E524 M663 F667 L903	P520-E524 WeakPolarHBondContact CA-OE1 2.99Å; P520-M663 HydrophobicContact CG-CE 3.91Å; P520-M663 WeakPolarHBondContact CG-O 3.47Å; P520-F667 HydrophobicContact CB-CB 4.22Å; P520-F667 HydrophobicContact CB-CD2 3.92Å; P520-F667 HydrophobicContact CG-CB 4.17Å; P520-L903 HydrophobicContact CG-CB 4.48Å
521	D	86.3	Confident	91.2	Very high	99 Å²	99	31.3 Å²	31.3	53%	0.529	19%	0.186	S	C	.	.			trans	-118.1	0.7	-179.8	73.6	2.7	0	0	0	113.7	T523 E524 R910	D521-T523 VanDerWaalsContact OD1-CB 3.25Å; D521-T523 WeakPolarHBondContact OD1-CB 3.15Å; D521-T523 WeakPolarHBondContact OD1-CG2 3.46Å; D521-T523 PolarHBondContact OD1-N 3.38Å; D521-T523 PolarHBondContact OD1-OG1 3.31Å; D521-E524 PolarHBondContact N-OE1 3.27Å; D521-R910 IonicContact OD1-CZ 3.74Å; D521-R910 IonicContact OD1-NH1 2.79Å; D521-R910 PolarHBondContact OD1-NH1 2.89Å; D521-R910 IonicContact OD2-CZ 3.87Å; D521-R910 IonicContact OD2-NH1 2.64Å; D521-R910 PolarHBondContact OD2-NH1 2.9Å; D521-R910 VanDerWaalsContact OD2-NH1 3.12Å
522	G	82.4	Confident	90.9	Very high	48 Å²	48	32 Å²	32	50%	0.495	19%	0.19	S	C	.	.	S	Bend	trans	87	2.6	179.9	0	0	0	0	0	114.1	E524	G522-E524 VanDerWaalsContact CA-OE2 3.26Å; G522-E524 WeakPolarHBondContact CA-OE2 3.33Å; G522-E524 PolarHBondContact N-OE2 2.83Å
523	T	85.3	Confident	90.6	Very high	72 Å²	72	31.7 Å²	31.7	44%	0.442	19%	0.188	S	C	.	.			trans	-89.1	-10.8	173.1	65.8	0	0	0	0	113.6	D521 N547 R910	D521-T523 VanDerWaalsContact OD1-CB 3.25Å; D521-T523 WeakPolarHBondContact OD1-CB 3.15Å; D521-T523 WeakPolarHBondContact OD1-CG2 3.46Å; D521-T523 PolarHBondContact OD1-N 3.38Å; D521-T523 PolarHBondContact OD1-OG1 3.31Å; T523-N547 PolarHBondContact O-ND2 3.13Å; T523-R910 VanDerWaalsContact OG1-CD 3.29Å; T523-R910 WeakPolarHBondContact OG1-CD 3.43Å; T523-R910 PolarHBondContact OG1-NH1 3.38Å
524	E	86.3	Confident	89.5	Confident	3 Å²	3	32 Å²	32	1%	0.014	19%	0.193	C	C	.	.			trans	-59.5	132.5	-178.1	-60.8	78.1	-163.7	0	0	111.8	P520 D521 G522 V545 N547 A906 V907 R910	P520-E524 WeakPolarHBondContact CA-OE1 2.99Å; D521-E524 PolarHBondContact N-OE1 3.27Å; G522-E524 VanDerWaalsContact CA-OE2 3.26Å; G522-E524 WeakPolarHBondContact CA-OE2 3.33Å; G522-E524 PolarHBondContact N-OE2 2.83Å; E524-V545 HydrophobicContact CB-CG1 4.23Å; E524-V545 WeakPolarHBondContact O-CG1 3.33Å; E524-N547 PolarHBondContact O-OD1 3.34Å; E524-A906 HydrophobicContact CB-CB 3.85Å; E524-A906 HydrophobicContact CG-CB 4.01Å; E524-V907 HydrophobicContact CG-CG2 3.92Å; E524-R910 IonicContact OE1-CZ 2.69Å; E524-R910 IonicContact OE1-NH1 2.84Å; E524-R910 PolarHBondContact OE1-NH1 3.44Å
525	K	88.8	Confident	88.4	Confident	141 Å²	141	33.1 Å²	33.1	61%	0.613	21%	0.206	S	C	*	.			trans	-151.2	147.2	177.4	64.3	-176.5	179.8	-177	0	110.4
526	G	90.5	Very high	87.1	Confident	24 Å²	24	34 Å²	34	25%	0.247	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.7	-179.4	176.1	0	0	0	0	0	113.4	F528 V545 R546	G526-F528 VanDerWaalsContact C-CE2 3.44Å; G526-V545 PolarHBondContact N-O 3.25Å; G526-V545 PolarHBondContact O-N 3.26Å; G526-R546 PolarHBondContact O-NH1 2.59Å
527	D	91.7	Very high	86.5	Confident	48 Å²	48	38.4 Å²	38.4	26%	0.257	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.5	172.9	-71.7	11.5	0	0	0	107.4	L542 R544 R546 L596	D527-L542 HydrophobicContact CB-CD1 4.47Å; D527-R544 WeakPolarHBondContact OD1-CG 3.48Å; D527-R544 IonicContact OD2-NE 3.31Å; D527-R546 IonicContact OD1-CZ 2.77Å; D527-R546 IonicContact OD1-NH1 3.65Å; D527-R546 PolarHBondContact OD1-NH1 3Å; D527-R546 IonicContact OD1-NH2 3.16Å; D527-R546 PolarHBondContact OD1-NH2 3.31Å; D527-R546 IonicContact OD2-NH2 3.46Å; D527-L596 HydrophobicContact CB-CD2 4.21Å
528	F	93	Very high	86.4	Confident	6 Å²	6	35.4 Å²	35.4	3%	0.026	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140.7	-171.3	-56	-78.2	0	0	0	110.2	G526 V543 V545 P597 A902 T905 A906	G526-F528 VanDerWaalsContact C-CE2 3.44Å; F528-V543 PolarHBondContact N-O 3.4Å; F528-V543 PolarHBondContact O-N 3.09Å; F528-V545 HydrophobicContact CD2-CG2 4.07Å; F528-V545 HydrophobicContact CE2-CB 4.35Å; F528-V545 HydrophobicContact CE2-CG2 4.05Å; F528-P597 WeakPolarHBondContact CA-O 3.46Å; F528-P597 HydrophobicContact CD1-CB 4.04Å; F528-P597 HydrophobicContact CD1-CG 4.37Å; F528-P597 HydrophobicContact CE1-CB 4.4Å; F528-P597 HydrophobicContact CE1-CG 4.46Å; F528-A902 HydrophobicContact CB-CB 3.9Å; F528-T905 HydrophobicContact CD1-CG2 3.59Å; F528-T905 HydrophobicContact CE1-CG2 4.09Å; F528-A906 HydrophobicContact CD2-CB 4.29Å; F528-A906 HydrophobicContact CE1-CB 3.97Å; F528-A906 HydrophobicContact CE2-CB 3.52Å; F528-A906 HydrophobicContact CZ-CB 3.34Å
529	L	93.6	Very high	86.5	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	143.4	164.5	-72	168.9	0	0	0	109.4	L541 L542 F585 L586 M591 L596 P597 L598 G599 L649	L529-L541 CarbonylContact C-O 3.56Å; L529-L541 VanDerWaalsContact CA-O 3.31Å; L529-L541 WeakPolarHBondContact CA-O 3.4Å; L529-L541 WeakPolarHBondContact CD2-O 3.21Å; L529-L542 HydrophobicContact CD2-CD1 4.46Å; L529-F585 HydrophobicContact CD2-CD1 4.41Å; L529-F585 HydrophobicContact CD2-CE1 4.19Å; L529-L586 HydrophobicContact CD1-CD2 4.01Å; L529-L586 HydrophobicContact CD2-CD2 4.2Å; L529-M591 HydrophobicContact CD2-CE 4.48Å; L529-L596 HydrophobicContact CD1-CB 3.91Å; L529-L596 HydrophobicContact CD1-CD1 4.22Å; L529-L596 HydrophobicContact CD2-CD1 4.36Å; L529-L596 HydrophobicContact CG-CB 3.98Å; L529-L596 HydrophobicContact CG-CD1 3.91Å; L529-P597 PolarHBondContact N-O 3.16Å; L529-L598 HydrophobicContact CB-CB 4.23Å; L529-L598 HydrophobicContact CB-CD1 4.11Å; L529-L598 HydrophobicContact CB-CG 4.2Å; L529-L598 VanDerWaalsContact O-CA 3.32Å; L529-L598 WeakPolarHBondContact O-CA 3.43Å; L529-G599 PolarHBondContact O-N 3.37Å; L529-L649 HydrophobicContact CD1-CD2 3.49Å; L529-L649 VanDerWaalsContact CD1-CD2 3.49Å
530	A	94	Very high	86.7	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140	167.7	0	0	0	0	0	110.6	L541 G599 G898 A901 A902	A530-L541 HydrophobicContact CB-CB 4.23Å; A530-L541 HydrophobicContact CB-CD1 4.23Å; A530-L541 PolarHBondContact N-O 2.91Å; A530-L541 WeakPolarHBondContact O-CD1 3.14Å; A530-L541 PolarHBondContact O-N 2.92Å; A530-G599 CarbonylContact C-O 3.44Å; A530-G599 WeakPolarHBondContact CA-O 3.45Å; A530-G898 WeakPolarHBondContact CB-O 3.12Å; A530-A901 HydrophobicContact CB-CB 3.97Å; A530-A902 HydrophobicContact CB-CB 4.42Å
531	L	93.9	Very high	86.9	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	137.3	170.5	-51.8	-177.2	0	0	0	108.1	F538 V540 I578 I582 L598 G599 F600 T601 L637	L531-F538 HydrophobicContact CB-CE2 3.98Å; L531-F538 HydrophobicContact CB-CZ 4.12Å; L531-F538 HydrophobicContact CD1-CZ 4.47Å; L531-F538 HydrophobicContact CD2-CZ 4.01Å; L531-F538 HydrophobicContact CG-CZ 4.41Å; L531-V540 HydrophobicContact CD2-CB 4.44Å; L531-V540 HydrophobicContact CD2-CG1 3.92Å; L531-V540 HydrophobicContact CD2-CG2 4.15Å; L531-I578 HydrophobicContact CD1-CG2 4.41Å; L531-I582 HydrophobicContact CD1-CD1 3.68Å; L531-I582 HydrophobicContact CD2-CD1 3.72Å; L531-I582 HydrophobicContact CD2-CG1 3.68Å; L531-I582 HydrophobicContact CG-CD1 4.35Å; L531-L598 HydrophobicContact CD1-CD1 3.93Å; L531-L598 HydrophobicContact CD1-CD2 3.96Å; L531-L598 HydrophobicContact CD1-CG 4.47Å; L531-L598 HydrophobicContact CD2-CD1 4.04Å; L531-L598 HydrophobicContact CG-CD1 3.82Å; L531-L598 HydrophobicContact CG-CD2 4.01Å; L531-L598 HydrophobicContact CG-CG 4.18Å; L531-G599 PolarHBondContact N-O 2.98Å; L531-F600 HydrophobicContact CB-CD2 3.63Å; L531-F600 HydrophobicContact CB-CE2 4.09Å; L531-F600 HydrophobicContact CB-CG 4.3Å; L531-F600 HydrophobicContact CD1-CD1 4.48Å; L531-F600 HydrophobicContact CD1-CD2 4.1Å; L531-F600 HydrophobicContact CD1-CE2 4.35Å; L531-F600 HydrophobicContact CD1-CG 4.16Å; L531-F600 HydrophobicContact CG-CD2 4.44Å; L531-T601 WeakPolarHBondContact O-CA 3.37Å; L531-T601 VanDerWaalsContact O-CB 3.3Å; L531-T601 WeakPolarHBondContact O-CB 3.31Å; L531-T601 PolarHBondContact O-N 3.49Å; L531-L637 HydrophobicContact CD1-CD2 3.87Å
532	D	91.7	Very high	87.3	Confident	15 Å²	15	30 Å²	30	8%	0.08	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	104.4	177.3	179.6	32.1	0	0	0	110.3	F538 R539 L541 S897	D532-F538 WeakPolarHBondContact O-CA 3.39Å; D532-F538 VanDerWaalsContact O-CD2 3.26Å; D532-F538 WeakPolarHBondContact O-CD2 3.44Å; D532-R539 HydrophobicContact CB-CB 4.2Å; D532-R539 PolarHBondContact N-O 2.73Å; D532-R539 PolarHBondContact O-N 3.2Å; D532-R539 IonicContact OD2-CZ 3.59Å; D532-R539 VanDerWaalsContact OD2-CZ 3.23Å; D532-R539 IonicContact OD2-NE 3.63Å; D532-R539 PolarHBondContact OD2-NE 3.27Å; D532-R539 IonicContact OD2-NH2 3.72Å; D532-R539 PolarHBondContact OD2-NH2 3.44Å; D532-L541 HydrophobicContact CB-CD1 4.18Å; D532-S897 WeakPolarHBondContact OD1-CB 3.38Å; D532-S897 PolarHBondContact OD1-OG 3.02Å; D532-S897 VanDerWaalsContact OD1-OG 3.09Å; D532-S897 PolarHBondContact OD2-OG 2.95Å
533	L	88.4	Confident	87.7	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	111	179.2	-174.1	66	0	0	0	110.1	F538 I562 I578 F600 T601 F602 S603 F604 F623	L533-F538 HydrophobicContact CB-CD2 3.93Å; L533-F538 HydrophobicContact CB-CE2 4.19Å; L533-F538 HydrophobicContact CD1-CB 4.32Å; L533-F538 HydrophobicContact CD1-CD2 3.88Å; L533-F538 HydrophobicContact CD1-CG 4.45Å; L533-F538 HydrophobicContact CG-CD2 4.47Å; L533-I562 HydrophobicContact CD1-CD1 3.31Å; L533-I578 HydrophobicContact CD2-CD1 3.77Å; L533-F600 HydrophobicContact CB-CE2 3.97Å; L533-F600 HydrophobicContact CD2-CE2 4.42Å; L533-F600 HydrophobicContact CD2-CZ 4.32Å; L533-T601 PolarHBondContact N-O 3.08Å; L533-F602 HydrophobicContact CD2-CD2 3.85Å; L533-F602 HydrophobicContact CD2-CE2 3.78Å; L533-S603 WeakPolarHBondContact O-CB 3.44Å; L533-S603 PolarHBondContact O-N 2.78Å; L533-S603 PolarHBondContact O-OG 3.27Å; L533-F604 HydrophobicContact CG-CE2 4.29Å; L533-F623 HydrophobicContact CD1-CE1 4.44Å; L533-F623 HydrophobicContact CD1-CZ 4.14Å
534	G	73.3	Confident	88	Confident	18 Å²	18	27.2 Å²	27.2	19%	0.186	15%	0.15	C	C	.	.	S	Bend	trans	-155.2	-0.8	175.7	0	0	0	0	0	115.5	K621	G534-K621 WeakPolarHBondContact O-CD 3.35Å
535	G	71.4	Confident	88.1	Confident	27 Å²	27	27.2 Å²	27.2	28%	0.278	15%	0.15	S	C	.	.	S	Bend	trans	-162.1	-159	-179.8	0	0	0	0	0	110.9	N537 F623	G535-N537 PolarHBondContact O-N 2.86Å; G535-F623 WeakPolarHBondContact O-CZ 3.21Å
536	T	66.3	Low	87.9	Confident	82 Å²	82	26 Å²	26	50%	0.503	14%	0.141	S	C	.	.	S	Bend	trans	-71.9	-17.6	-179.3	52.3	0	0	0	0	114.1	I562 M567	T536-I562 PolarHBondContact O-N 2.98Å; T536-I562 VanDerWaalsContact O-N 3.11Å; T536-M567 HydrophobicContact CG2-CE 4.42Å; T536-M567 HydrophobicContact CG2-SD 3.99Å
537	N	80.9	Confident	86.8	Confident	100 Å²	100	29.3 Å²	29.3	54%	0.535	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	106.6	177.4	-64.2	-32.3	0	0	0	108.7	G535 I559	G535-N537 PolarHBondContact O-N 2.86Å; N537-I559 HydrophobicContact CB-CG2 3.94Å
538	F	89.1	Confident	85	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	139.6	171.2	175.9	-120.9	0	0	0	109.5	L531 D532 L533 V540 I559 Y560 I562 I578 C581	L531-F538 HydrophobicContact CB-CE2 3.98Å; L531-F538 HydrophobicContact CB-CZ 4.12Å; L531-F538 HydrophobicContact CD1-CZ 4.47Å; L531-F538 HydrophobicContact CD2-CZ 4.01Å; L531-F538 HydrophobicContact CG-CZ 4.41Å; D532-F538 WeakPolarHBondContact O-CA 3.39Å; D532-F538 VanDerWaalsContact O-CD2 3.26Å; D532-F538 WeakPolarHBondContact O-CD2 3.44Å; L533-F538 HydrophobicContact CB-CD2 3.93Å; L533-F538 HydrophobicContact CB-CE2 4.19Å; L533-F538 HydrophobicContact CD1-CB 4.32Å; L533-F538 HydrophobicContact CD1-CD2 3.88Å; L533-F538 HydrophobicContact CD1-CG 4.45Å; L533-F538 HydrophobicContact CG-CD2 4.47Å; F538-V540 HydrophobicContact CD1-CG2 4.27Å; F538-V540 HydrophobicContact CE1-CG2 3.48Å; F538-V540 VanDerWaalsContact CE1-CG2 3.48Å; F538-V540 HydrophobicContact CZ-CG2 3.87Å; F538-I559 CarbonylContact O-C 3.57Å; F538-I559 WeakPolarHBondContact O-CA 3.36Å; F538-Y560 HydrophobicContact CD1-CD2 4.34Å; F538-Y560 PolarHBondContact N-O 3.29Å; F538-Y560 PolarHBondContact O-N 2.96Å; F538-I562 HydrophobicContact CB-CD1 3.9Å; F538-I562 HydrophobicContact CB-CG1 3.93Å; F538-I578 HydrophobicContact CE1-CB 4.45Å; F538-I578 HydrophobicContact CE1-CG1 4.46Å; F538-I578 HydrophobicContact CE1-CG2 4.06Å; F538-I578 HydrophobicContact CE2-CG2 4.35Å; F538-I578 HydrophobicContact CZ-CB 4.42Å; F538-I578 HydrophobicContact CZ-CG1 4.38Å; F538-I578 HydrophobicContact CZ-CG2 3.66Å; F538-C581 HydrophobicContact CD1-CB 3.87Å; F538-C581 HydrophobicContact CE1-CB 3.72Å
539	R	91.8	Very high	82.7	Confident	45 Å²	45	39.7 Å²	39.7	17%	0.17	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	139.5	177.4	-50.1	-173.9	-73.5	157	-1.3	110.9	D532 L541 K558 I559 D895 S897	D532-R539 HydrophobicContact CB-CB 4.2Å; D532-R539 PolarHBondContact N-O 2.73Å; D532-R539 PolarHBondContact O-N 3.2Å; D532-R539 IonicContact OD2-CZ 3.59Å; D532-R539 VanDerWaalsContact OD2-CZ 3.23Å; D532-R539 IonicContact OD2-NE 3.63Å; D532-R539 PolarHBondContact OD2-NE 3.27Å; D532-R539 IonicContact OD2-NH2 3.72Å; D532-R539 PolarHBondContact OD2-NH2 3.44Å; R539-L541 HydrophobicContact CB-CD1 4.02Å; R539-K558 WeakPolarHBondContact CA-O 3.49Å; R539-I559 HydrophobicContact CG-CB 4.5Å; R539-I559 HydrophobicContact CG-CG1 4.02Å; R539-I559 HydrophobicContact CG-CG2 4.43Å; R539-D895 IonicContact CZ-OD1 3.24Å; R539-D895 VanDerWaalsContact NH1-CG 3.27Å; R539-D895 IonicContact NH1-OD1 2.72Å; R539-D895 PolarHBondContact NH1-OD1 3.4Å; R539-D895 IonicContact NH1-OD2 2.72Å; R539-D895 PolarHBondContact NH1-OD2 2.97Å; R539-D895 IonicContact NH2-OD1 2.98Å; R539-D895 PolarHBondContact NH2-OD1 3.37Å; R539-S897 PolarHBondContact NH2-OG 2.69Å
540	V	93.5	Very high	80.4	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.9	168.1	-170.7	0	0	0	0	107.1	L531 F538 N557 K558 Y560 C581 I582 F585	L531-V540 HydrophobicContact CD2-CB 4.44Å; L531-V540 HydrophobicContact CD2-CG1 3.92Å; L531-V540 HydrophobicContact CD2-CG2 4.15Å; F538-V540 HydrophobicContact CD1-CG2 4.27Å; F538-V540 HydrophobicContact CE1-CG2 3.48Å; F538-V540 VanDerWaalsContact CE1-CG2 3.48Å; F538-V540 HydrophobicContact CZ-CG2 3.87Å; V540-N557 VanDerWaalsContact O-CA 3.28Å; V540-N557 WeakPolarHBondContact O-CA 3.39Å; V540-K558 PolarHBondContact N-O 2.99Å; V540-K558 VanDerWaalsContact N-O 3.12Å; V540-K558 PolarHBondContact O-N 3.46Å; V540-Y560 HydrophobicContact CB-CE2 4.18Å; V540-Y560 HydrophobicContact CG2-CD2 4.09Å; V540-Y560 HydrophobicContact CG2-CE2 3.81Å; V540-C581 HydrophobicContact CG2-CB 4.35Å; V540-I582 HydrophobicContact CG1-CG1 4.43Å; V540-I582 HydrophobicContact CG2-CG1 4.1Å; V540-F585 HydrophobicContact CB-CB 3.94Å; V540-F585 HydrophobicContact CB-CD1 4.01Å; V540-F585 HydrophobicContact CB-CD2 4.32Å; V540-F585 HydrophobicContact CB-CG 3.82Å; V540-F585 HydrophobicContact CG1-CB 3.81Å; V540-F585 HydrophobicContact CG1-CD1 3.34Å; V540-F585 HydrophobicContact CG1-CE1 4Å; V540-F585 HydrophobicContact CG1-CG 3.63Å; V540-F585 HydrophobicContact CG2-CB 4.48Å
541	L	93.8	Very high	78.5	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	143.1	-174.7	-52.4	91.6	0	0	0	111.1	L529 A530 D532 R539 V543 M555 H556 N557	L529-L541 CarbonylContact C-O 3.56Å; L529-L541 VanDerWaalsContact CA-O 3.31Å; L529-L541 WeakPolarHBondContact CA-O 3.4Å; L529-L541 WeakPolarHBondContact CD2-O 3.21Å; A530-L541 HydrophobicContact CB-CB 4.23Å; A530-L541 HydrophobicContact CB-CD1 4.23Å; A530-L541 PolarHBondContact N-O 2.91Å; A530-L541 WeakPolarHBondContact O-CD1 3.14Å; A530-L541 PolarHBondContact O-N 2.92Å; D532-L541 HydrophobicContact CB-CD1 4.18Å; R539-L541 HydrophobicContact CB-CD1 4.02Å; L541-V543 HydrophobicContact CB-CG2 4.25Å; L541-M555 HydrophobicContact CD2-CE 3.55Å; L541-H556 CarbonylContact C-O 3.53Å; L541-H556 VanDerWaalsContact CA-O 3.26Å; L541-H556 WeakPolarHBondContact CA-O 3.26Å; L541-N557 HydrophobicContact CB-CB 4.28Å; L541-N557 HydrophobicContact CD2-CB 3.89Å; L541-N557 HydrophobicContact CG-CB 3.67Å
542	L	93	Very high	77.4	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.8	160.3	175	64.6	0	0	0	107.9	D527 L529 R544 M555 H556 F585 M589 M591 L596	D527-L542 HydrophobicContact CB-CD1 4.47Å; L529-L542 HydrophobicContact CD2-CD1 4.46Å; L542-R544 HydrophobicContact CG-CG 4.38Å; L542-M555 WeakPolarHBondContact O-CA 3.49Å; L542-H556 HydrophobicContact CB-CB 4.47Å; L542-H556 PolarHBondContact N-O 3.22Å; L542-H556 PolarHBondContact O-N 2.71Å; L542-F585 HydrophobicContact CB-CE1 3.98Å; L542-F585 HydrophobicContact CB-CZ 4.13Å; L542-M589 HydrophobicContact CB-CE 4.49Å; L542-M589 HydrophobicContact CD2-CE 3.68Å; L542-M591 HydrophobicContact CD1-CE 3.98Å; L542-M591 HydrophobicContact CD1-SD 4.36Å; L542-M591 HydrophobicContact CD2-CE 3.79Å; L542-M591 HydrophobicContact CD2-SD 3.63Å; L542-M591 HydrophobicContact CG-CE 4.32Å; L542-L596 HydrophobicContact CD1-CD1 3.88Å
543	V	91.8	Very high	77	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120.5	-179.3	-175.2	0	0	0	0	108.9	F528 L541 V545 V553 M555 A902	F528-V543 PolarHBondContact N-O 3.4Å; F528-V543 PolarHBondContact O-N 3.09Å; L541-V543 HydrophobicContact CB-CG2 4.25Å; V543-V545 HydrophobicContact CG1-CG2 4.24Å; V543-V553 HydrophobicContact CG1-CG1 3.45Å; V543-V553 VanDerWaalsContact CG1-CG1 3.45Å; V543-M555 HydrophobicContact CG1-CG 4.1Å; V543-M555 HydrophobicContact CG2-CE 4.29Å; V543-M555 HydrophobicContact CG2-CG 4.14Å; V543-A902 HydrophobicContact CB-CB 3.4Å; V543-A902 VanDerWaalsContact CB-CB 3.4Å; V543-A902 HydrophobicContact CG1-CB 3.64Å; V543-A902 HydrophobicContact CG2-CB 3.54Å
544	R	91.1	Very high	76.9	Confident	62 Å²	62	60.8 Å²	60.8	23%	0.234	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	113.8	178.6	-59.9	179.8	170.2	152.5	3.9	109.5	D527 L542 V553 E554	D527-R544 WeakPolarHBondContact OD1-CG 3.48Å; D527-R544 IonicContact OD2-NE 3.31Å; L542-R544 HydrophobicContact CG-CG 4.38Å; R544-V553 WeakPolarHBondContact O-CA 3.4Å; R544-E554 HydrophobicContact CB-CB 4.23Å; R544-E554 WeakPolarHBondContact CD-OE2 3.32Å; R544-E554 PolarHBondContact N-O 3.25Å; R544-E554 IonicContact NH1-OE1 3.59Å; R544-E554 PolarHBondContact NH1-OE1 3.03Å; R544-E554 IonicContact NH1-OE2 2.7Å; R544-E554 PolarHBondContact NH1-OE2 3.29Å; R544-E554 PolarHBondContact O-N 3.01Å
545	V	88	Confident	77.7	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.012	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129.1	177.8	-167.4	0	0	0	0	108.6	E524 G526 F528 V543 F667 L903	E524-V545 HydrophobicContact CB-CG1 4.23Å; E524-V545 WeakPolarHBondContact O-CG1 3.33Å; G526-V545 PolarHBondContact N-O 3.25Å; G526-V545 PolarHBondContact O-N 3.26Å; F528-V545 HydrophobicContact CD2-CG2 4.07Å; F528-V545 HydrophobicContact CE2-CB 4.35Å; F528-V545 HydrophobicContact CE2-CG2 4.05Å; V543-V545 HydrophobicContact CG1-CG2 4.24Å; V545-F667 HydrophobicContact CG1-CE2 4.42Å; V545-F667 HydrophobicContact CG1-CZ 4.47Å; V545-L903 HydrophobicContact CG2-CD2 4.37Å
546	R	85.1	Confident	78.6	Confident	116 Å²	116	64.1 Å²	64.1	44%	0.438	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	135.6	-174.6	-62	-69.9	179.2	-97.7	4.1	111.4	G526 D527	G526-R546 PolarHBondContact O-NH1 2.59Å; D527-R546 IonicContact OD1-CZ 2.77Å; D527-R546 IonicContact OD1-NH1 3.65Å; D527-R546 PolarHBondContact OD1-NH1 3Å; D527-R546 IonicContact OD1-NH2 3.16Å; D527-R546 PolarHBondContact OD1-NH2 3.31Å; D527-R546 IonicContact OD2-NH2 3.46Å
547	N	66.6	Low	79.8	Confident	93 Å²	93	63.6 Å²	63.6	50%	0.497	32%	0.324	S	S	.	.			trans	-86.6	118.5	174	-72.3	-2.8	0	0	0	110.9	T523 E524	T523-N547 PolarHBondContact O-ND2 3.13Å; E524-N547 PolarHBondContact O-OD1 3.34Å
548	G	55	Low	80.4	Confident	54 Å²	54	61.8 Å²	61.8	56%	0.557	31%	0.311	S	S	*	.	S	Bend	trans	-175	168.4	175.4	0	0	0	0	0	114.5	W550 G551	G548-W550 PolarHBondContact O-N 3Å; G548-G551 PolarHBondContact O-N 2.84Å
549	K	44.3	Very low	80.5	Confident	218 Å²	218	66.6 Å²	66.6	95%	0.948	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-13.1	178.2	-92.6	-176.1	175	-179.3	0	114.9
550	W	45.4	Very low	80.5	Confident	245 Å²	245	65.7 Å²	65.7	93%	0.928	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.6	45.1	175.6	-64.2	91.1	0	0	0	109.6	G548 G552	G548-W550 PolarHBondContact O-N 3Å; W550-G552 PolarHBondContact O-N 3.4Å; W550-G552 VanDerWaalsContact O-N 3.1Å
551	G	53.8	Low	80.3	Confident	52 Å²	52	69.2 Å²	69.2	54%	0.536	36%	0.361	S	S	.	.			trans	-40.6	116.1	-174.6	0	0	0	0	0	111.9	G548	G548-G551 PolarHBondContact O-N 2.84Å
552	G	71.8	Confident	80.1	Confident	37 Å²	37	69.6 Å²	69.6	38%	0.381	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	139.5	-172.3	0	0	0	0	0	110.5	W550	W550-G552 PolarHBondContact O-N 3.4Å; W550-G552 VanDerWaalsContact O-N 3.1Å
553	V	82.2	Confident	79.9	Confident	36 Å²	36	71.8 Å²	71.8	22%	0.218	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	114.8	169.2	-178.6	0	0	0	0	106.9	V543 R544 M555 F667 K899	V543-V553 HydrophobicContact CG1-CG1 3.45Å; V543-V553 VanDerWaalsContact CG1-CG1 3.45Å; R544-V553 WeakPolarHBondContact O-CA 3.4Å; V553-M555 HydrophobicContact CG1-CG 3.89Å; V553-M555 HydrophobicContact CG1-SD 4.29Å; V553-F667 HydrophobicContact CG2-CD1 4.16Å; V553-F667 HydrophobicContact CG2-CE1 3.54Å; V553-F667 HydrophobicContact CG2-CZ 3.87Å; V553-K899 HydrophobicContact CG1-CD 4.33Å; V553-K899 HydrophobicContact CG1-CG 4.34Å
554	E	87.2	Confident	79.6	Confident	89 Å²	89	78.4 Å²	78.4	42%	0.416	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.3	172.7	-178.2	-167.3	177.6	0	0	108.4	R544 H556	R544-E554 HydrophobicContact CB-CB 4.23Å; R544-E554 WeakPolarHBondContact CD-OE2 3.32Å; R544-E554 PolarHBondContact N-O 3.25Å; R544-E554 IonicContact NH1-OE1 3.59Å; R544-E554 PolarHBondContact NH1-OE1 3.03Å; R544-E554 IonicContact NH1-OE2 2.7Å; R544-E554 PolarHBondContact NH1-OE2 3.29Å; R544-E554 PolarHBondContact O-N 3.01Å; E554-H556 IonicContact OE1-CD2 2.68Å; E554-H556 IonicContact OE1-CE1 2.96Å; E554-H556 IonicContact OE1-NE2 3.89Å; E554-H556 PolarHBondContact OE1-NE2 3.05Å
555	M	89.4	Confident	79.6	Confident	51 Å²	51	82.2 Å²	82.2	25%	0.251	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	133.4	-177.7	-65.4	179.9	58.3	0	0	111.2	L541 L542 V543 V553 D895 K899	L541-M555 HydrophobicContact CD2-CE 3.55Å; L542-M555 WeakPolarHBondContact O-CA 3.49Å; V543-M555 HydrophobicContact CG1-CG 4.1Å; V543-M555 HydrophobicContact CG2-CE 4.29Å; V543-M555 HydrophobicContact CG2-CG 4.14Å; V553-M555 HydrophobicContact CG1-CG 3.89Å; V553-M555 HydrophobicContact CG1-SD 4.29Å; M555-D895 HydrophobicContact CE-CB 4.14Å; M555-D895 VanDerWaalsContact CE-OD2 3.25Å; M555-D895 WeakPolarHBondContact CE-OD2 3.28Å; M555-K899 HydrophobicContact CE-CB 3.89Å; M555-K899 HydrophobicContact SD-CB 3.66Å; M555-K899 HydrophobicContact SD-CD 3.96Å; M555-K899 HydrophobicContact SD-CG 3.97Å
556	H	90.9	Very high	79.7	Confident	65 Å²	65	83.1 Å²	83.1	30%	0.301	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.7	167.2	-62.5	-88.2	0	0	0	107.7	L541 L542 E554 M589	L541-H556 CarbonylContact C-O 3.53Å; L541-H556 VanDerWaalsContact CA-O 3.26Å; L541-H556 WeakPolarHBondContact CA-O 3.26Å; L542-H556 HydrophobicContact CB-CB 4.47Å; L542-H556 PolarHBondContact N-O 3.22Å; L542-H556 PolarHBondContact O-N 2.71Å; E554-H556 IonicContact OE1-CD2 2.68Å; E554-H556 IonicContact OE1-CE1 2.96Å; E554-H556 IonicContact OE1-NE2 3.89Å; E554-H556 PolarHBondContact OE1-NE2 3.05Å; H556-M589 HydrophobicContact CB-CE 3.53Å; H556-M589 HydrophobicContact CB-SD 3.87Å; H556-M589 VanDerWaalsContact CG-CE 3.5Å
557	N	91.8	Very high	79.9	Confident	70 Å²	70	78 Å²	78	37%	0.374	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	158.7	177.1	71.4	73.2	0	0	0	111.9	V540 L541	V540-N557 VanDerWaalsContact O-CA 3.28Å; V540-N557 WeakPolarHBondContact O-CA 3.39Å; L541-N557 HydrophobicContact CB-CB 4.28Å; L541-N557 HydrophobicContact CD2-CB 3.89Å; L541-N557 HydrophobicContact CG-CB 3.67Å
558	K	92.6	Very high	81	Confident	63 Å²	63	78.2 Å²	78.2	27%	0.274	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	135.9	169.2	-169.8	162.9	168	-168.3	0	109.3	R539 V540 Y560 D584 F585 Y588	R539-K558 WeakPolarHBondContact CA-O 3.49Å; V540-K558 PolarHBondContact N-O 2.99Å; V540-K558 VanDerWaalsContact N-O 3.12Å; V540-K558 PolarHBondContact O-N 3.46Å; K558-Y560 HydrophobicContact CB-CE2 3.8Å; K558-Y560 HydrophobicContact CD-CE1 4.44Å; K558-Y560 HydrophobicContact CD-CE2 4.4Å; K558-Y560 VanDerWaalsContact CD-OH 3.28Å; K558-Y560 WeakPolarHBondContact CD-OH 3.35Å; K558-Y560 HydrophobicContact CG-CE1 4.44Å; K558-Y560 HydrophobicContact CG-CE2 3.86Å; K558-Y560 WeakPolarHBondContact O-CD2 3.35Å; K558-Y560 WeakPolarHBondContact O-CE2 3.41Å; K558-D584 WeakPolarHBondContact CE-OD2 3.48Å; K558-D584 IonicContact NZ-OD1 3.57Å; K558-D584 IonicContact NZ-OD2 3.56Å; K558-D584 PolarHBondContact NZ-OD2 3.12Å; K558-F585 HydrophobicContact CB-CD2 3.56Å; K558-F585 HydrophobicContact CB-CE2 3.91Å; K558-Y588 HydrophobicContact CD-CD1 4.44Å; K558-Y588 HydrophobicContact CD-CG 4.41Å
559	I	91.3	Very high	82.8	Confident	101 Å²	101	76.4 Å²	76.4	52%	0.518	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	135.1	179.9	-52.2	-178.9	0	0	0	109	N537 F538 R539	N537-I559 HydrophobicContact CB-CG2 3.94Å; F538-I559 CarbonylContact O-C 3.57Å; F538-I559 WeakPolarHBondContact O-CA 3.36Å; R539-I559 HydrophobicContact CG-CB 4.5Å; R539-I559 HydrophobicContact CG-CG1 4.02Å; R539-I559 HydrophobicContact CG-CG2 4.43Å
560	Y	92	Very high	85.2	Confident	26 Å²	26	68.6 Å²	68.6	10%	0.102	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134.4	178.1	-61.8	-89.8	0	0	0	109.4	F538 V540 K558 C581 D584 F585	F538-Y560 HydrophobicContact CD1-CD2 4.34Å; F538-Y560 PolarHBondContact N-O 3.29Å; F538-Y560 PolarHBondContact O-N 2.96Å; V540-Y560 HydrophobicContact CB-CE2 4.18Å; V540-Y560 HydrophobicContact CG2-CD2 4.09Å; V540-Y560 HydrophobicContact CG2-CE2 3.81Å; K558-Y560 HydrophobicContact CB-CE2 3.8Å; K558-Y560 HydrophobicContact CD-CE1 4.44Å; K558-Y560 HydrophobicContact CD-CE2 4.4Å; K558-Y560 VanDerWaalsContact CD-OH 3.28Å; K558-Y560 WeakPolarHBondContact CD-OH 3.35Å; K558-Y560 HydrophobicContact CG-CE1 4.44Å; K558-Y560 HydrophobicContact CG-CE2 3.86Å; K558-Y560 WeakPolarHBondContact O-CD2 3.35Å; K558-Y560 WeakPolarHBondContact O-CE2 3.41Å; Y560-C581 VanDerWaalsContact CB-SG 3.51Å; Y560-C581 HydrophobicContact CD1-CB 3.67Å; Y560-C581 WeakPolarHBondContact CD1-SG 3.25Å; Y560-C581 HydrophobicContact CD2-CB 3.74Å; Y560-C581 HydrophobicContact CE1-CB 3.93Å; Y560-C581 HydrophobicContact CE2-CB 4Å; Y560-C581 HydrophobicContact CG-CB 3.57Å; Y560-C581 PolarHBondContact OH-O 3.32Å; Y560-D584 HydrophobicContact CE1-CB 4.31Å; Y560-D584 WeakPolarHBondContact CE1-OD2 3.32Å; Y560-D584 VanDerWaalsContact CZ-OD2 3.3Å; Y560-D584 PolarHBondContact OH-OD2 3.15Å; Y560-F585 HydrophobicContact CE2-CB 4.46Å; Y560-F585 WeakPolarHBondContact OH-CA 3.29Å; Y560-F585 WeakPolarHBondContact OH-CB 3.45Å; Y560-F585 PolarHBondContact OH-N 2.94Å
561	A	89.3	Confident	87.5	Confident	73 Å²	73	57.1 Å²	57.1	60%	0.603	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	140.6	171.1	0	0	0	0	0	109.7	H577	A561-H577 PolarHBondContact O-NE2 3.23Å
562	I	89.3	Confident	89.5	Confident	9 Å²	9	58.5 Å²	58.5	5%	0.046	32%	0.318	C	S	.	.			trans	-101	114.7	165.4	-53.9	-175.1	0	0	0	107.9	L533 T536 F538 V566 M567 L574 F623	L533-I562 HydrophobicContact CD1-CD1 3.31Å; T536-I562 PolarHBondContact O-N 2.98Å; T536-I562 VanDerWaalsContact O-N 3.11Å; F538-I562 HydrophobicContact CB-CD1 3.9Å; F538-I562 HydrophobicContact CB-CG1 3.93Å; I562-V566 HydrophobicContact CG2-CB 4.01Å; I562-V566 HydrophobicContact CG2-CG1 3.9Å; I562-M567 HydrophobicContact CB-CG 4.16Å; I562-M567 HydrophobicContact CG2-CG 3.56Å; I562-L574 HydrophobicContact CD1-CD1 4.23Å; I562-L574 HydrophobicContact CG2-CD1 4.11Å; I562-F623 HydrophobicContact CD1-CE1 4.37Å; I562-F623 HydrophobicContact CD1-CZ 4.33Å
563	P	89.2	Confident	90.6	Very high	45 Å²	45	61.6 Å²	61.6	29%	0.292	32%	0.323	S	S	.	.			trans	-58.4	148.3	176	-22.4	32.8	0	0	0	111.9	E565 V566 M567	P563-E565 VanDerWaalsContact C-N 3.27Å; P563-E565 HydrophobicContact CB-CG 3.96Å; P563-E565 PolarHBondContact O-N 3.36Å; P563-V566 HydrophobicContact CB-CG2 4.12Å; P563-V566 HydrophobicContact CG-CG2 4.09Å; P563-V566 WeakPolarHBondContact O-CB 3.49Å; P563-V566 PolarHBondContact O-N 2.72Å; P563-M567 PolarHBondContact O-N 2.86Å
564	Q	85.5	Confident	91.2	Very high	139 Å²	139	59.9 Å²	59.9	65%	0.65	31%	0.313	S	S	*	.	H	α-helix	trans	-61.1	-37.8	179	-92.6	-161	-10.6	0	0	112.1	V566 M567 H568	Q564-V566 PolarHBondContact O-N 2.97Å; Q564-M567 PolarHBondContact O-N 2.89Å; Q564-H568 PolarHBondContact O-N 2.84Å
565	E	90.4	Very high	91.6	Very high	143 Å²	143	55.7 Å²	55.7	67%	0.668	29%	0.293	S	S	*	.	H	α-helix	trans	-57.8	-32.9	174.6	56.1	-93.6	-155.5	0	0	112.8	P563 G569	P563-E565 VanDerWaalsContact C-N 3.27Å; P563-E565 HydrophobicContact CB-CG 3.96Å; P563-E565 PolarHBondContact O-N 3.36Å; E565-G569 WeakPolarHBondContact O-CA 3.23Å; E565-G569 PolarHBondContact O-N 3.21Å
566	V	91.4	Very high	91.9	Very high	21 Å²	21	56.5 Å²	56.5	13%	0.127	30%	0.298	C	S	.	.	H	α-helix	trans	-77.7	-40.9	176.3	177.8	0	0	0	0	110.9	I562 P563 Q564 H568 G569 L574 H577	I562-V566 HydrophobicContact CG2-CB 4.01Å; I562-V566 HydrophobicContact CG2-CG1 3.9Å; P563-V566 HydrophobicContact CB-CG2 4.12Å; P563-V566 HydrophobicContact CG-CG2 4.09Å; P563-V566 WeakPolarHBondContact O-CB 3.49Å; P563-V566 PolarHBondContact O-N 2.72Å; Q564-V566 PolarHBondContact O-N 2.97Å; V566-H568 PolarHBondContact O-N 2.95Å; V566-G569 PolarHBondContact O-N 3.42Å; V566-L574 HydrophobicContact CG1-CB 4.26Å; V566-L574 HydrophobicContact CG1-CD1 4.01Å; V566-H577 HydrophobicContact CG1-CB 4.02Å
567	M	87.7	Confident	92	Very high	9 Å²	9	55.6 Å²	55.6	4%	0.044	29%	0.294	C	S	.	.	H	α-helix	trans	-61.3	-27.8	176.7	-66.5	-179.9	60	0	0	113.4	T536 I562 P563 Q564 F623 K624 A625	T536-M567 HydrophobicContact CG2-CE 4.42Å; T536-M567 HydrophobicContact CG2-SD 3.99Å; I562-M567 HydrophobicContact CB-CG 4.16Å; I562-M567 HydrophobicContact CG2-CG 3.56Å; P563-M567 PolarHBondContact O-N 2.86Å; Q564-M567 PolarHBondContact O-N 2.89Å; M567-F623 HydrophobicContact CB-CD1 4.34Å; M567-F623 HydrophobicContact CB-CE1 4.46Å; M567-F623 HydrophobicContact CE-CD1 4.24Å; M567-F623 HydrophobicContact CE-CD2 3.59Å; M567-F623 HydrophobicContact CE-CE1 4.14Å; M567-F623 HydrophobicContact CE-CE2 3.47Å; M567-F623 VanDerWaalsContact CE-CE2 3.47Å; M567-F623 HydrophobicContact CE-CG 3.98Å; M567-F623 HydrophobicContact CE-CZ 3.76Å; M567-F623 HydrophobicContact CG-CD1 4.31Å; M567-F623 HydrophobicContact CG-CE1 3.95Å; M567-F623 HydrophobicContact CG-CZ 4.24Å; M567-F623 HydrophobicContact SD-CZ 4.4Å; M567-K624 PolarHBondContact O-N 3.19Å; M567-A625 PolarHBondContact O-N 3.44Å; M567-A625 VanDerWaalsContact O-N 3.13Å
568	H	90.1	Very high	92.1	Very high	96 Å²	96	52.3 Å²	52.3	44%	0.444	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	3.2	-179.2	-61.6	165.1	0	0	0	113.6	Q564 V566 G622	Q564-H568 PolarHBondContact O-N 2.84Å; V566-H568 PolarHBondContact O-N 2.95Å; H568-G622 PolarHBondContact NE2-O 3.35Å
569	G	92.3	Very high	92.2	Very high	17 Å²	17	49.4 Å²	49.4	18%	0.175	26%	0.264	C	S	.	.	S	Bend	trans	-82.4	-140.9	-179.9	0	0	0	0	0	112.6	E565 V566 E573 A625 S626	E565-G569 WeakPolarHBondContact O-CA 3.23Å; E565-G569 PolarHBondContact O-N 3.21Å; V566-G569 PolarHBondContact O-N 3.42Å; G569-E573 WeakPolarHBondContact CA-OE2 3.49Å; G569-A625 CarbonylContact O-C 3.56Å; G569-A625 VanDerWaalsContact O-CA 3.27Å; G569-A625 WeakPolarHBondContact O-CA 3.16Å; G569-S626 PolarHBondContact O-N 3.12Å
570	T	95.6	Very high	92.3	Very high	54 Å²	54	49.3 Å²	49.3	33%	0.331	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-94.6	159.1	175.8	61.2	0	0	0	0	112	D572 E573 L574	T570-D572 VanDerWaalsContact C-N 3.26Å; T570-D572 PolarHBondContact O-N 2.84Å; T570-E573 PolarHBondContact N-OE2 2.67Å; T570-E573 PolarHBondContact O-N 3.09Å; T570-E573 VanDerWaalsContact OG1-CD 3.28Å; T570-E573 VanDerWaalsContact OG1-CG 3.23Å; T570-E573 WeakPolarHBondContact OG1-CG 3.12Å; T570-E573 PolarHBondContact OG1-N 3.09Å; T570-E573 PolarHBondContact OG1-OE2 3.37Å; T570-L574 PolarHBondContact O-N 2.89Å; T570-L574 VanDerWaalsContact O-N 3.09Å
571	G	93.8	Very high	92.4	Very high	4 Å²	4	48.3 Å²	48.3	4%	0.041	26%	0.258	C	S	.	.	H	α-helix	trans	-57.3	-42.1	172.5	0	0	0	0	0	111.9	E573 L574 F575 S626 C628	G571-E573 PolarHBondContact O-N 3.5Å; G571-L574 PolarHBondContact O-N 2.85Å; G571-F575 VanDerWaalsContact O-CD2 3.3Å; G571-F575 WeakPolarHBondContact O-CD2 3.48Å; G571-F575 PolarHBondContact O-N 3.33Å; G571-S626 PolarHBondContact N-O 2.78Å; G571-C628 WeakPolarHBondContact CA-SG 3.49Å
572	D	95.3	Very high	92.6	Very high	80 Å²	80	44.8 Å²	44.8	43%	0.428	23%	0.229	S	C	.	.	H	α-helix	trans	-57.6	-48.6	176.1	-72.4	-31.6	0	0	0	112.2	T570 L574 F575 D576 R643	T570-D572 VanDerWaalsContact C-N 3.26Å; T570-D572 PolarHBondContact O-N 2.84Å; D572-L574 VanDerWaalsContact C-N 3.32Å; D572-L574 PolarHBondContact O-N 3.41Å; D572-F575 PolarHBondContact O-N 3.46Å; D572-D576 WeakPolarHBondContact O-CB 3.47Å; D572-D576 PolarHBondContact O-N 2.75Å; D572-R643 IonicContact OD1-CZ 2.82Å; D572-R643 VanDerWaalsContact OD1-CZ 3.27Å; D572-R643 IonicContact OD1-NH1 2.73Å; D572-R643 PolarHBondContact OD1-NH1 2.61Å; D572-R643 IonicContact OD1-NH2 3.96Å; D572-R643 PolarHBondContact OD1-NH2 2.84Å; D572-R643 VanDerWaalsContact OD1-NH2 3.15Å
573	E	95.1	Very high	92.7	Very high	103 Å²	103	44.8 Å²	44.8	48%	0.481	23%	0.23	S	C	.	.	H	α-helix	trans	-60.4	-40.2	177.3	-72.5	164.3	152.4	0	0	112.5	G569 T570 G571 H577	G569-E573 WeakPolarHBondContact CA-OE2 3.49Å; T570-E573 PolarHBondContact N-OE2 2.67Å; T570-E573 PolarHBondContact O-N 3.09Å; T570-E573 VanDerWaalsContact OG1-CD 3.28Å; T570-E573 VanDerWaalsContact OG1-CG 3.23Å; T570-E573 WeakPolarHBondContact OG1-CG 3.12Å; T570-E573 PolarHBondContact OG1-N 3.09Å; T570-E573 PolarHBondContact OG1-OE2 3.37Å; G571-E573 PolarHBondContact O-N 3.5Å; E573-H577 WeakPolarHBondContact O-CB 3.2Å; E573-H577 PolarHBondContact O-N 2.88Å
574	L	95.3	Very high	92.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.7	-50.2	178.5	176.6	63	0	0	0	111.8	I562 V566 T570 G571 D572 H577 I578 W619 F623 A625	I562-L574 HydrophobicContact CD1-CD1 4.23Å; I562-L574 HydrophobicContact CG2-CD1 4.11Å; V566-L574 HydrophobicContact CG1-CB 4.26Å; V566-L574 HydrophobicContact CG1-CD1 4.01Å; T570-L574 PolarHBondContact O-N 2.89Å; T570-L574 VanDerWaalsContact O-N 3.09Å; G571-L574 PolarHBondContact O-N 2.85Å; D572-L574 VanDerWaalsContact C-N 3.32Å; D572-L574 PolarHBondContact O-N 3.41Å; L574-H577 PolarHBondContact O-N 3.27Å; L574-I578 HydrophobicContact CD1-CD1 4.36Å; L574-I578 HydrophobicContact CG-CD1 4.2Å; L574-I578 WeakPolarHBondContact O-CG1 3.3Å; L574-I578 PolarHBondContact O-N 3.45Å; L574-W619 HydrophobicContact CD2-CH2 3.93Å; L574-W619 HydrophobicContact CD2-CZ2 4.03Å; L574-F623 HydrophobicContact CD1-CE1 4.29Å; L574-F623 HydrophobicContact CD2-CD1 4.41Å; L574-A625 HydrophobicContact CB-CB 4.28Å; L574-A625 HydrophobicContact CD2-CB 3.88Å
575	F	95.3	Very high	93.3	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	20%	0.199	C	C	.	.	H	α-helix	trans	-73.9	-31.6	-177.6	-77.5	-89.2	0	0	0	112.1	G571 D572 H577 I578 V579 F600 V633 L636 L637 A640	G571-F575 VanDerWaalsContact O-CD2 3.3Å; G571-F575 WeakPolarHBondContact O-CD2 3.48Å; G571-F575 PolarHBondContact O-N 3.33Å; D572-F575 PolarHBondContact O-N 3.46Å; F575-H577 VanDerWaalsContact C-N 3.34Å; F575-I578 HydrophobicContact CD1-CD1 4.19Å; F575-I578 HydrophobicContact CE1-CD1 4.48Å; F575-I578 PolarHBondContact O-N 2.97Å; F575-V579 WeakPolarHBondContact O-CB 3.39Å; F575-V579 VanDerWaalsContact O-CG2 3.31Å; F575-V579 WeakPolarHBondContact O-CG2 3.43Å; F575-V579 PolarHBondContact O-N 3.48Å; F575-F600 HydrophobicContact CE1-CE1 4.09Å; F575-F600 HydrophobicContact CE1-CZ 4.39Å; F575-V633 HydrophobicContact CZ-CB 4.12Å; F575-V633 HydrophobicContact CZ-CG1 4.42Å; F575-L636 HydrophobicContact CD1-CB 4.11Å; F575-L636 HydrophobicContact CD2-CB 3.83Å; F575-L636 HydrophobicContact CD2-CD1 4.18Å; F575-L636 HydrophobicContact CE1-CB 3.98Å; F575-L636 HydrophobicContact CE2-CB 3.73Å; F575-L636 HydrophobicContact CE2-CD1 3.53Å; F575-L636 HydrophobicContact CE2-CG 4.27Å; F575-L636 HydrophobicContact CG-CB 4.04Å; F575-L636 HydrophobicContact CZ-CB 3.8Å; F575-L636 HydrophobicContact CZ-CD1 3.96Å; F575-L637 HydrophobicContact CD1-CB 3.96Å; F575-L637 HydrophobicContact CD1-CD1 4.28Å; F575-L637 HydrophobicContact CE1-CB 4.1Å; F575-A640 HydrophobicContact CB-CB 3.75Å
576	D	94.9	Very high	93.3	Very high	67 Å²	67	32 Å²	32	36%	0.358	17%	0.168	S	C	.	.	H	α-helix	trans	-63.4	-40.3	170.6	-73.2	-5.4	0	0	0	111	D572 V579 Q580 R643	D572-D576 WeakPolarHBondContact O-CB 3.47Å; D572-D576 PolarHBondContact O-N 2.75Å; D576-V579 PolarHBondContact O-N 3.32Å; D576-Q580 WeakPolarHBondContact O-CB 3.18Å; D576-Q580 PolarHBondContact O-N 2.9Å; D576-R643 IonicContact OD1-CZ 3.5Å; D576-R643 VanDerWaalsContact OD1-CZ 3.27Å; D576-R643 IonicContact OD1-NE 3.38Å; D576-R643 PolarHBondContact OD1-NE 2.85Å; D576-R643 IonicContact OD1-NH2 2.72Å; D576-R643 PolarHBondContact OD1-NH2 3.24Å; D576-R643 IonicContact OD2-NE 3.97Å
577	H	94.7	Very high	93.3	Very high	47 Å²	47	37 Å²	37	22%	0.218	19%	0.19	C	C	.	.	H	α-helix	trans	-64.6	-41.9	173.5	-176.3	77.6	0	0	0	112.3	A561 V566 E573 L574 F575 Q580 C581	A561-H577 PolarHBondContact O-NE2 3.23Å; V566-H577 HydrophobicContact CG1-CB 4.02Å; E573-H577 WeakPolarHBondContact O-CB 3.2Å; E573-H577 PolarHBondContact O-N 2.88Å; L574-H577 PolarHBondContact O-N 3.27Å; F575-H577 VanDerWaalsContact C-N 3.34Å; H577-Q580 WeakPolarHBondContact O-CA 3.23Å; H577-Q580 WeakPolarHBondContact O-CB 3.34Å; H577-Q580 PolarHBondContact O-N 3.5Å; H577-C581 PolarHBondContact O-N 3.29Å; H577-C581 PolarHBondContact O-SG 2.94Å
578	I	94.2	Very high	93.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58.8	-49	174.7	-72.9	165.4	0	0	0	110.2	L531 L533 F538 L574 F575 Q580 C581 I582 L637	L531-I578 HydrophobicContact CD1-CG2 4.41Å; L533-I578 HydrophobicContact CD2-CD1 3.77Å; F538-I578 HydrophobicContact CE1-CB 4.45Å; F538-I578 HydrophobicContact CE1-CG1 4.46Å; F538-I578 HydrophobicContact CE1-CG2 4.06Å; F538-I578 HydrophobicContact CE2-CG2 4.35Å; F538-I578 HydrophobicContact CZ-CB 4.42Å; F538-I578 HydrophobicContact CZ-CG1 4.38Å; F538-I578 HydrophobicContact CZ-CG2 3.66Å; L574-I578 HydrophobicContact CD1-CD1 4.36Å; L574-I578 HydrophobicContact CG-CD1 4.2Å; L574-I578 WeakPolarHBondContact O-CG1 3.3Å; L574-I578 PolarHBondContact O-N 3.45Å; F575-I578 HydrophobicContact CD1-CD1 4.19Å; F575-I578 HydrophobicContact CE1-CD1 4.48Å; F575-I578 PolarHBondContact O-N 2.97Å; I578-Q580 VanDerWaalsContact C-N 3.3Å; I578-Q580 PolarHBondContact O-N 2.75Å; I578-C581 WeakPolarHBondContact O-CB 3.49Å; I578-C581 PolarHBondContact O-N 2.85Å; I578-C581 VanDerWaalsContact O-N 3.14Å; I578-I582 HydrophobicContact CG2-CD1 3.94Å; I578-I582 WeakPolarHBondContact O-CG1 3.37Å; I578-I582 PolarHBondContact O-N 3.39Å; I578-L637 HydrophobicContact CG2-CD1 3.98Å
579	V	93.7	Very high	93.5	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.012	21%	0.206	C	C	.	.	H	α-helix	trans	-62.9	-38.1	177.4	171.5	0	0	0	0	110.7	F575 D576 C581 I582 A583 L637 A640 I641 R644 F647	F575-V579 WeakPolarHBondContact O-CB 3.39Å; F575-V579 VanDerWaalsContact O-CG2 3.31Å; F575-V579 WeakPolarHBondContact O-CG2 3.43Å; F575-V579 PolarHBondContact O-N 3.48Å; D576-V579 PolarHBondContact O-N 3.32Å; V579-C581 VanDerWaalsContact C-N 3.33Å; V579-C581 PolarHBondContact O-N 3.41Å; V579-I582 PolarHBondContact O-N 2.91Å; V579-A583 PolarHBondContact O-N 3.41Å; V579-L637 HydrophobicContact CG2-CD1 3.88Å; V579-A640 HydrophobicContact CB-CB 4.43Å; V579-A640 HydrophobicContact CG2-CB 3.63Å; V579-I641 HydrophobicContact CG1-CG1 4.39Å; V579-I641 HydrophobicContact CG2-CG1 3.72Å; V579-R644 HydrophobicContact CG1-CB 4.21Å; V579-R644 PolarHBondContact O-NH1 3.31Å; V579-F647 HydrophobicContact CG1-CE1 4.17Å; V579-F647 HydrophobicContact CG1-CZ 3.84Å
580	Q	93.6	Very high	93.3	Very high	99 Å²	99	43.7 Å²	43.7	46%	0.463	23%	0.231	S	C	.	.	H	α-helix	trans	-51.2	-50.1	170	-171	55.9	57.3	0	0	112.4	D576 H577 I578 A583 D584 R644	D576-Q580 WeakPolarHBondContact O-CB 3.18Å; D576-Q580 PolarHBondContact O-N 2.9Å; H577-Q580 WeakPolarHBondContact O-CA 3.23Å; H577-Q580 WeakPolarHBondContact O-CB 3.34Å; H577-Q580 PolarHBondContact O-N 3.5Å; I578-Q580 VanDerWaalsContact C-N 3.3Å; I578-Q580 PolarHBondContact O-N 2.75Å; Q580-A583 PolarHBondContact O-N 2.95Å; Q580-D584 PolarHBondContact O-N 3.48Å; Q580-R644 VanDerWaalsContact CD-NH2 3.29Å
581	C	94.4	Very high	92.9	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.034	22%	0.22	C	C	.	.	H	α-helix	trans	-64.7	-40.4	178.4	-61.3	0	0	0	0	112.1	F538 V540 Y560 H577 I578 V579 D584 F585	F538-C581 HydrophobicContact CD1-CB 3.87Å; F538-C581 HydrophobicContact CE1-CB 3.72Å; V540-C581 HydrophobicContact CG2-CB 4.35Å; Y560-C581 VanDerWaalsContact CB-SG 3.51Å; Y560-C581 HydrophobicContact CD1-CB 3.67Å; Y560-C581 WeakPolarHBondContact CD1-SG 3.25Å; Y560-C581 HydrophobicContact CD2-CB 3.74Å; Y560-C581 HydrophobicContact CE1-CB 3.93Å; Y560-C581 HydrophobicContact CE2-CB 4Å; Y560-C581 HydrophobicContact CG-CB 3.57Å; Y560-C581 PolarHBondContact OH-O 3.32Å; H577-C581 PolarHBondContact O-N 3.29Å; H577-C581 PolarHBondContact O-SG 2.94Å; I578-C581 WeakPolarHBondContact O-CB 3.49Å; I578-C581 PolarHBondContact O-N 2.85Å; I578-C581 VanDerWaalsContact O-N 3.14Å; V579-C581 VanDerWaalsContact C-N 3.33Å; V579-C581 PolarHBondContact O-N 3.41Å; C581-D584 PolarHBondContact O-N 3Å; C581-F585 WeakPolarHBondContact O-CB 3.49Å; C581-F585 PolarHBondContact O-N 3.19Å
582	I	92.4	Very high	92.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.6	-47.2	178.4	-64.7	167.1	0	0	0	111.3	L531 V540 I578 V579 D584 F585 L586 L637 F647 L649	L531-I582 HydrophobicContact CD1-CD1 3.68Å; L531-I582 HydrophobicContact CD2-CD1 3.72Å; L531-I582 HydrophobicContact CD2-CG1 3.68Å; L531-I582 HydrophobicContact CG-CD1 4.35Å; V540-I582 HydrophobicContact CG1-CG1 4.43Å; V540-I582 HydrophobicContact CG2-CG1 4.1Å; I578-I582 HydrophobicContact CG2-CD1 3.94Å; I578-I582 WeakPolarHBondContact O-CG1 3.37Å; I578-I582 PolarHBondContact O-N 3.39Å; V579-I582 PolarHBondContact O-N 2.91Å; I582-D584 PolarHBondContact O-N 3.17Å; I582-F585 WeakPolarHBondContact O-CB 3.29Å; I582-F585 PolarHBondContact O-N 3.25Å; I582-L586 HydrophobicContact CG2-CD1 4.06Å; I582-L586 HydrophobicContact CG2-CG 4.34Å; I582-L586 WeakPolarHBondContact O-CG 3.16Å; I582-L586 PolarHBondContact O-N 3.43Å; I582-L637 HydrophobicContact CD1-CD1 4.35Å; I582-F647 HydrophobicContact CB-CZ 4.15Å; I582-F647 HydrophobicContact CG2-CE2 3.78Å; I582-F647 HydrophobicContact CG2-CZ 3.79Å; I582-L649 HydrophobicContact CG2-CD1 3.85Å
583	A	91.1	Very high	91	Very high	8 Å²	8	47.4 Å²	47.4	7%	0.066	26%	0.256	C	S	.	.	H	α-helix	trans	-62.1	-43.5	178.8	0	0	0	0	0	112.6	V579 Q580 F585 L586 E587 R644 F647	V579-A583 PolarHBondContact O-N 3.41Å; Q580-A583 PolarHBondContact O-N 2.95Å; A583-F585 VanDerWaalsContact C-N 3.27Å; A583-F585 PolarHBondContact O-N 2.91Å; A583-L586 PolarHBondContact O-N 3.21Å; A583-E587 WeakPolarHBondContact O-CB 3.48Å; A583-E587 PolarHBondContact O-N 2.8Å; A583-R644 VanDerWaalsContact CB-NH2 3.26Å; A583-F647 HydrophobicContact CB-CD1 4.28Å; A583-F647 HydrophobicContact CB-CE1 3.7Å
584	D	93.6	Very high	90.2	Very high	54 Å²	54	45.8 Å²	45.8	29%	0.289	25%	0.253	S	S	.	.	H	α-helix	trans	-60.8	-38.9	176.1	170	86.5	0	0	0	111	K558 Y560 Q580 C581 I582 Y588	K558-D584 WeakPolarHBondContact CE-OD2 3.48Å; K558-D584 IonicContact NZ-OD1 3.57Å; K558-D584 IonicContact NZ-OD2 3.56Å; K558-D584 PolarHBondContact NZ-OD2 3.12Å; Y560-D584 HydrophobicContact CE1-CB 4.31Å; Y560-D584 WeakPolarHBondContact CE1-OD2 3.32Å; Y560-D584 VanDerWaalsContact CZ-OD2 3.3Å; Y560-D584 PolarHBondContact OH-OD2 3.15Å; Q580-D584 PolarHBondContact O-N 3.48Å; C581-D584 PolarHBondContact O-N 3Å; I582-D584 PolarHBondContact O-N 3.17Å; D584-Y588 VanDerWaalsContact O-CB 3.26Å; D584-Y588 WeakPolarHBondContact O-CB 3.47Å; D584-Y588 PolarHBondContact O-N 3.13Å
585	F	93.8	Very high	89.6	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-66.5	-43.7	175.1	-175	-106.8	0	0	0	112.5	L529 V540 L542 K558 Y560 C581 I582 A583 E587 Y588 M589	L529-F585 HydrophobicContact CD2-CD1 4.41Å; L529-F585 HydrophobicContact CD2-CE1 4.19Å; V540-F585 HydrophobicContact CB-CB 3.94Å; V540-F585 HydrophobicContact CB-CD1 4.01Å; V540-F585 HydrophobicContact CB-CD2 4.32Å; V540-F585 HydrophobicContact CB-CG 3.82Å; V540-F585 HydrophobicContact CG1-CB 3.81Å; V540-F585 HydrophobicContact CG1-CD1 3.34Å; V540-F585 HydrophobicContact CG1-CE1 4Å; V540-F585 HydrophobicContact CG1-CG 3.63Å; V540-F585 HydrophobicContact CG2-CB 4.48Å; L542-F585 HydrophobicContact CB-CE1 3.98Å; L542-F585 HydrophobicContact CB-CZ 4.13Å; K558-F585 HydrophobicContact CB-CD2 3.56Å; K558-F585 HydrophobicContact CB-CE2 3.91Å; Y560-F585 HydrophobicContact CE2-CB 4.46Å; Y560-F585 WeakPolarHBondContact OH-CA 3.29Å; Y560-F585 WeakPolarHBondContact OH-CB 3.45Å; Y560-F585 PolarHBondContact OH-N 2.94Å; C581-F585 WeakPolarHBondContact O-CB 3.49Å; C581-F585 PolarHBondContact O-N 3.19Å; I582-F585 WeakPolarHBondContact O-CB 3.29Å; I582-F585 PolarHBondContact O-N 3.25Å; A583-F585 VanDerWaalsContact C-N 3.27Å; A583-F585 PolarHBondContact O-N 2.91Å; F585-E587 VanDerWaalsContact C-N 3.32Å; F585-E587 PolarHBondContact O-N 2.86Å; F585-Y588 HydrophobicContact CD2-CD1 4.37Å; F585-Y588 HydrophobicContact CE2-CD1 4.41Å; F585-Y588 WeakPolarHBondContact O-CB 3.41Å; F585-Y588 PolarHBondContact O-N 3.21Å; F585-M589 HydrophobicContact CD1-CG 4.18Å; F585-M589 HydrophobicContact CD2-CG 4.33Å; F585-M589 HydrophobicContact CE1-CG 3.76Å; F585-M589 HydrophobicContact CE2-CG 3.92Å; F585-M589 HydrophobicContact CE2-SD 4.22Å; F585-M589 HydrophobicContact CG-CG 4.47Å; F585-M589 HydrophobicContact CZ-CG 3.62Å; F585-M589 HydrophobicContact CZ-SD 4.08Å; F585-M589 WeakPolarHBondContact O-CB 3.43Å; F585-M589 WeakPolarHBondContact O-CG 3.35Å; F585-M589 PolarHBondContact O-N 2.93Å
586	L	90.9	Very high	89.2	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-38	178	-69.8	176.3	0	0	0	112.1	L529 I582 A583 G590 M591 F647	L529-L586 HydrophobicContact CD1-CD2 4.01Å; L529-L586 HydrophobicContact CD2-CD2 4.2Å; I582-L586 HydrophobicContact CG2-CD1 4.06Å; I582-L586 HydrophobicContact CG2-CG 4.34Å; I582-L586 WeakPolarHBondContact O-CG 3.16Å; I582-L586 PolarHBondContact O-N 3.43Å; A583-L586 PolarHBondContact O-N 3.21Å; L586-G590 PolarHBondContact O-N 3.37Å; L586-G590 VanDerWaalsContact O-N 3.17Å; L586-M591 HydrophobicContact CD2-CB 4.49Å; L586-M591 HydrophobicContact CD2-CE 3.91Å; L586-M591 PolarHBondContact O-N 3.23Å; L586-F647 HydrophobicContact CD1-CD2 3.98Å; L586-F647 HydrophobicContact CD1-CE2 4.32Å; L586-F647 HydrophobicContact CD1-CG 4.1Å
587	E	90.8	Very high	89.1	Confident	126 Å²	126	48 Å²	48	59%	0.589	27%	0.272	S	S	*	.	H	α-helix	trans	-65.1	-46.6	172.2	-177.6	167.5	-169.3	0	0	111.2	A583 F585 M589 G590	A583-E587 WeakPolarHBondContact O-CB 3.48Å; A583-E587 PolarHBondContact O-N 2.8Å; F585-E587 VanDerWaalsContact C-N 3.32Å; F585-E587 PolarHBondContact O-N 2.86Å; E587-M589 VanDerWaalsContact C-N 3.27Å; E587-M589 PolarHBondContact O-N 3.14Å; E587-G590 PolarHBondContact O-N 3.04Å
588	Y	91.8	Very high	89	Confident	154 Å²	154	45.8 Å²	45.8	60%	0.604	26%	0.262	S	S	*	.	H	α-helix	trans	-56.7	-39.8	175.9	173.6	-102.4	0	0	0	112.8	K558 D584 F585 G590	K558-Y588 HydrophobicContact CD-CD1 4.44Å; K558-Y588 HydrophobicContact CD-CG 4.41Å; D584-Y588 VanDerWaalsContact O-CB 3.26Å; D584-Y588 WeakPolarHBondContact O-CB 3.47Å; D584-Y588 PolarHBondContact O-N 3.13Å; F585-Y588 HydrophobicContact CD2-CD1 4.37Å; F585-Y588 HydrophobicContact CE2-CD1 4.41Å; F585-Y588 WeakPolarHBondContact O-CB 3.41Å; F585-Y588 PolarHBondContact O-N 3.21Å; Y588-G590 VanDerWaalsContact C-N 3.3Å; Y588-G590 PolarHBondContact O-N 3.47Å
589	M	91.4	Very high	89.1	Confident	41 Å²	41	45.8 Å²	45.8	20%	0.202	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-5.3	178.1	-66.5	-56	-65.7	0	0	113.8	L542 H556 F585 E587 M591	L542-M589 HydrophobicContact CB-CE 4.49Å; L542-M589 HydrophobicContact CD2-CE 3.68Å; H556-M589 HydrophobicContact CB-CE 3.53Å; H556-M589 HydrophobicContact CB-SD 3.87Å; H556-M589 VanDerWaalsContact CG-CE 3.5Å; F585-M589 HydrophobicContact CD1-CG 4.18Å; F585-M589 HydrophobicContact CD2-CG 4.33Å; F585-M589 HydrophobicContact CE1-CG 3.76Å; F585-M589 HydrophobicContact CE2-CG 3.92Å; F585-M589 HydrophobicContact CE2-SD 4.22Å; F585-M589 HydrophobicContact CG-CG 4.47Å; F585-M589 HydrophobicContact CZ-CG 3.62Å; F585-M589 HydrophobicContact CZ-SD 4.08Å; F585-M589 WeakPolarHBondContact O-CB 3.43Å; F585-M589 WeakPolarHBondContact O-CG 3.35Å; F585-M589 PolarHBondContact O-N 2.93Å; E587-M589 VanDerWaalsContact C-N 3.27Å; E587-M589 PolarHBondContact O-N 3.14Å; M589-M591 VanDerWaalsContact C-N 3.34Å; M589-M591 HydrophobicContact CB-CE 4.04Å; M589-M591 HydrophobicContact CB-CG 4.06Å; M589-M591 HydrophobicContact CB-SD 4.41Å
590	G	88.8	Confident	89.1	Confident	68 Å²	68	45.7 Å²	45.7	70%	0.701	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	29.3	-177.6	0	0	0	0	0	114	L586 E587 Y588	L586-G590 PolarHBondContact O-N 3.37Å; L586-G590 VanDerWaalsContact O-N 3.17Å; E587-G590 PolarHBondContact O-N 3.04Å; Y588-G590 VanDerWaalsContact C-N 3.3Å; Y588-G590 PolarHBondContact O-N 3.47Å
591	M	85.4	Confident	89.1	Confident	23 Å²	23	41 Å²	41	11%	0.113	24%	0.239	C	C	.	.			trans	-115.4	26.8	-174.5	-56.9	-170	-45.1	0	0	113.2	L529 L542 L586 M589 G593 V594 L596	L529-M591 HydrophobicContact CD2-CE 4.48Å; L542-M591 HydrophobicContact CD1-CE 3.98Å; L542-M591 HydrophobicContact CD1-SD 4.36Å; L542-M591 HydrophobicContact CD2-CE 3.79Å; L542-M591 HydrophobicContact CD2-SD 3.63Å; L542-M591 HydrophobicContact CG-CE 4.32Å; L586-M591 HydrophobicContact CD2-CB 4.49Å; L586-M591 HydrophobicContact CD2-CE 3.91Å; L586-M591 PolarHBondContact O-N 3.23Å; M589-M591 VanDerWaalsContact C-N 3.34Å; M589-M591 HydrophobicContact CB-CE 4.04Å; M589-M591 HydrophobicContact CB-CG 4.06Å; M589-M591 HydrophobicContact CB-SD 4.41Å; M591-G593 PolarHBondContact O-N 2.87Å; M591-V594 HydrophobicContact CB-CG2 4.4Å; M591-V594 PolarHBondContact O-N 2.67Å; M591-L596 HydrophobicContact CE-CD1 3.78Å; M591-L596 HydrophobicContact SD-CD1 4.3Å
592	K	77.7	Confident	89	Confident	129 Å²	129	40.9 Å²	40.9	56%	0.561	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	123.8	179.5	-162.4	166.7	-172.5	158.8	0	110.1	E646	K592-E646 IonicContact NZ-OE2 3.4Å; K592-E646 PolarHBondContact NZ-OE2 3.22Å; K592-E646 VanDerWaalsContact NZ-OE2 3.13Å
593	G	72.8	Confident	88.7	Confident	65 Å²	65	40.9 Å²	40.9	67%	0.67	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	92	2.8	179.6	0	0	0	0	0	116.2	M591	M591-G593 PolarHBondContact O-N 2.87Å
594	V	77.8	Confident	88.4	Confident	68 Å²	68	40.6 Å²	40.6	41%	0.412	24%	0.236	S	C	.	.			trans	-90.4	124.9	172	-174	0	0	0	0	109.5	M591 L596	M591-V594 HydrophobicContact CB-CG2 4.4Å; M591-V594 PolarHBondContact O-N 2.67Å; V594-L596 HydrophobicContact CG1-CD2 3.79Å; V594-L596 HydrophobicContact CG1-CG 3.88Å
595	S	83.1	Confident	88	Confident	66 Å²	66	38.9 Å²	38.9	46%	0.462	23%	0.227	S	C	.	.			trans	-85.9	115.4	169.1	-172.4	0	0	0	0	108.9	D648	S595-D648 PolarHBondContact OG-O 2.83Å
596	L	86.9	Confident	87.8	Confident	18 Å²	18	39.4 Å²	39.4	9%	0.094	23%	0.231	C	C	.	.			trans	-114.4	145.4	178.4	-67.7	176.2	0	0	0	109.9	D527 L529 L542 M591 V594 L598	D527-L596 HydrophobicContact CB-CD2 4.21Å; L529-L596 HydrophobicContact CD1-CB 3.91Å; L529-L596 HydrophobicContact CD1-CD1 4.22Å; L529-L596 HydrophobicContact CD2-CD1 4.36Å; L529-L596 HydrophobicContact CG-CB 3.98Å; L529-L596 HydrophobicContact CG-CD1 3.91Å; L542-L596 HydrophobicContact CD1-CD1 3.88Å; M591-L596 HydrophobicContact CE-CD1 3.78Å; M591-L596 HydrophobicContact SD-CD1 4.3Å; V594-L596 HydrophobicContact CG1-CD2 3.79Å; V594-L596 HydrophobicContact CG1-CG 3.88Å; L596-L598 PolarHBondContact O-N 3.1Å
597	P	92.1	Very high	87.8	Confident	31 Å²	31	43.5 Å²	43.5	20%	0.201	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	133	169.7	-17.8	30.1	0	0	0	110.4	F528 L529 D650 V652 T905	F528-P597 WeakPolarHBondContact CA-O 3.46Å; F528-P597 HydrophobicContact CD1-CB 4.04Å; F528-P597 HydrophobicContact CD1-CG 4.37Å; F528-P597 HydrophobicContact CE1-CB 4.4Å; F528-P597 HydrophobicContact CE1-CG 4.46Å; L529-P597 PolarHBondContact N-O 3.16Å; P597-D650 CarbonylContact C-O 3.6Å; P597-D650 WeakPolarHBondContact CA-O 3.3Å; P597-V652 HydrophobicContact CB-CG2 3.81Å; P597-T905 HydrophobicContact CB-CG2 3.65Å
598	L	93.4	Very high	87.8	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.8	-173.6	-176.9	148.3	0	0	0	111.3	L529 L531 L596 F600 L649 D650 V651 V652 A653	L529-L598 HydrophobicContact CB-CB 4.23Å; L529-L598 HydrophobicContact CB-CD1 4.11Å; L529-L598 HydrophobicContact CB-CG 4.2Å; L529-L598 VanDerWaalsContact O-CA 3.32Å; L529-L598 WeakPolarHBondContact O-CA 3.43Å; L531-L598 HydrophobicContact CD1-CD1 3.93Å; L531-L598 HydrophobicContact CD1-CD2 3.96Å; L531-L598 HydrophobicContact CD1-CG 4.47Å; L531-L598 HydrophobicContact CD2-CD1 4.04Å; L531-L598 HydrophobicContact CG-CD1 3.82Å; L531-L598 HydrophobicContact CG-CD2 4.01Å; L531-L598 HydrophobicContact CG-CG 4.18Å; L596-L598 PolarHBondContact O-N 3.1Å; L598-F600 HydrophobicContact CD2-CB 3.91Å; L598-L649 HydrophobicContact CD1-CD1 3.67Å; L598-D650 PolarHBondContact N-O 3Å; L598-V651 HydrophobicContact CD2-CG1 4.07Å; L598-V651 HydrophobicContact CD2-CG2 4.23Å; L598-V652 PolarHBondContact O-N 3Å; L598-A653 PolarHBondContact O-N 3.28Å
599	G	94.9	Very high	87.7	Confident	0 Å²	0	34 Å²	34	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	128.2	164.9	0	0	0	0	0	110.7	L529 A530 L531 A653 T905	L529-G599 PolarHBondContact O-N 3.37Å; A530-G599 CarbonylContact C-O 3.44Å; A530-G599 WeakPolarHBondContact CA-O 3.45Å; L531-G599 PolarHBondContact N-O 2.98Å; G599-A653 CarbonylContact C-O 3.55Å; G599-T905 WeakPolarHBondContact CA-OG1 3.04Å; G599-T905 PolarHBondContact N-OG1 3.08Å
600	F	94.6	Very high	87.7	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	98.8	-179.8	-171.2	-179.6	0	0	0	110.3	L531 L533 F575 L598 F602 L637 A653 V654 V655	L531-F600 HydrophobicContact CB-CD2 3.63Å; L531-F600 HydrophobicContact CB-CE2 4.09Å; L531-F600 HydrophobicContact CB-CG 4.3Å; L531-F600 HydrophobicContact CD1-CD1 4.48Å; L531-F600 HydrophobicContact CD1-CD2 4.1Å; L531-F600 HydrophobicContact CD1-CE2 4.35Å; L531-F600 HydrophobicContact CD1-CG 4.16Å; L531-F600 HydrophobicContact CG-CD2 4.44Å; L533-F600 HydrophobicContact CB-CE2 3.97Å; L533-F600 HydrophobicContact CD2-CE2 4.42Å; L533-F600 HydrophobicContact CD2-CZ 4.32Å; F575-F600 HydrophobicContact CE1-CE1 4.09Å; F575-F600 HydrophobicContact CE1-CZ 4.39Å; L598-F600 HydrophobicContact CD2-CB 3.91Å; F600-F602 HydrophobicContact CD2-CB 4.2Å; F600-F602 HydrophobicContact CE1-CD2 4.34Å; F600-F602 HydrophobicContact CE2-CB 4.14Å; F600-F602 AromaticContact CE2-CD2 3.95Å; F600-F602 HydrophobicContact CE2-CD2 3.95Å; F600-F602 HydrophobicContact CZ-CB 4.44Å; F600-F602 AromaticContact CZ-CD2 3.69Å; F600-F602 HydrophobicContact CZ-CD2 3.69Å; F600-F602 HydrophobicContact CZ-CE2 4.46Å; F600-F602 HydrophobicContact CZ-CG 4.47Å; F600-F602 PolarHBondContact O-N 3.11Å; F600-F602 VanDerWaalsContact O-N 3.17Å; F600-L637 HydrophobicContact CD1-CD2 3.71Å; F600-L637 HydrophobicContact CE1-CB 4.49Å; F600-L637 HydrophobicContact CE1-CD2 3.92Å; F600-A653 PolarHBondContact N-O 3Å; F600-V654 HydrophobicContact CB-CG2 4.37Å; F600-V654 CarbonylContact O-C 3.55Å; F600-V654 VanDerWaalsContact O-CA 3.3Å; F600-V654 WeakPolarHBondContact O-CA 3.33Å; F600-V655 PolarHBondContact O-N 3.27Å
601	T	93.1	Very high	87.7	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	107.3	166.9	-58.6	0	0	0	0	109.8	L531 L533 V655 D657 S897 A901	L531-T601 WeakPolarHBondContact O-CA 3.37Å; L531-T601 VanDerWaalsContact O-CB 3.3Å; L531-T601 WeakPolarHBondContact O-CB 3.31Å; L531-T601 PolarHBondContact O-N 3.49Å; L533-T601 PolarHBondContact N-O 3.08Å; T601-V655 CarbonylContact C-O 3.55Å; T601-V655 VanDerWaalsContact CA-O 3.25Å; T601-V655 WeakPolarHBondContact CA-O 3.15Å; T601-D657 HydrophobicContact CG2-CB 4.17Å; T601-S897 PolarHBondContact OG1-O 2.63Å; T601-A901 WeakPolarHBondContact OG1-CB 3.41Å
602	F	91.8	Very high	88	Confident	3 Å²	3	33 Å²	33	1%	0.013	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	98.7	-179.9	-172	-101.1	0	0	0	108.9	L533 F600 F604 C606 L616 W619 V633 V654 V655	L533-F602 HydrophobicContact CD2-CD2 3.85Å; L533-F602 HydrophobicContact CD2-CE2 3.78Å; F600-F602 HydrophobicContact CD2-CB 4.2Å; F600-F602 HydrophobicContact CE1-CD2 4.34Å; F600-F602 HydrophobicContact CE2-CB 4.14Å; F600-F602 AromaticContact CE2-CD2 3.95Å; F600-F602 HydrophobicContact CE2-CD2 3.95Å; F600-F602 HydrophobicContact CZ-CB 4.44Å; F600-F602 AromaticContact CZ-CD2 3.69Å; F600-F602 HydrophobicContact CZ-CD2 3.69Å; F600-F602 HydrophobicContact CZ-CE2 4.46Å; F600-F602 HydrophobicContact CZ-CG 4.47Å; F600-F602 PolarHBondContact O-N 3.11Å; F600-F602 VanDerWaalsContact O-N 3.17Å; F602-F604 HydrophobicContact CD1-CB 4.08Å; F602-F604 AromaticContact CD1-CD2 3.79Å; F602-F604 HydrophobicContact CD1-CD2 3.79Å; F602-F604 HydrophobicContact CD1-CG 4.42Å; F602-F604 AromaticContact CD2-CD2 3.99Å; F602-F604 HydrophobicContact CD2-CD2 3.99Å; F602-F604 HydrophobicContact CD2-CE2 4.31Å; F602-F604 HydrophobicContact CE1-CB 3.68Å; F602-F604 AromaticContact CE1-CD2 3.52Å; F602-F604 HydrophobicContact CE1-CD2 3.52Å; F602-F604 AromaticContact CE1-CG 3.96Å; F602-F604 HydrophobicContact CE1-CG 3.96Å; F602-F604 AromaticContact CE2-CD2 3.71Å; F602-F604 HydrophobicContact CE2-CD2 3.71Å; F602-F604 AromaticContact CE2-CE2 3.98Å; F602-F604 HydrophobicContact CE2-CE2 3.98Å; F602-F604 HydrophobicContact CG-CD2 4.02Å; F602-F604 HydrophobicContact CZ-CB 4.33Å; F602-F604 AromaticContact CZ-CD2 3.47Å; F602-F604 HydrophobicContact CZ-CD2 3.47Å; F602-F604 VanDerWaalsContact CZ-CD2 3.47Å; F602-F604 HydrophobicContact CZ-CE2 4.11Å; F602-F604 HydrophobicContact CZ-CG 4.14Å; F602-F604 PolarHBondContact O-N 3.12Å; F602-C606 VanDerWaalsContact CD1-SG 3.54Å; F602-L616 HydrophobicContact CE1-CB 4.47Å; F602-L616 HydrophobicContact CE1-CD1 3.91Å; F602-L616 HydrophobicContact CZ-CD1 4.35Å; F602-L616 HydrophobicContact CZ-CD2 4.48Å; F602-W619 HydrophobicContact CE2-CH2 4.01Å; F602-W619 HydrophobicContact CE2-CZ3 4.16Å; F602-W619 AromaticContact CZ-CH2 3.6Å; F602-W619 HydrophobicContact CZ-CH2 3.6Å; F602-W619 AromaticContact CZ-CZ3 3.62Å; F602-W619 HydrophobicContact CZ-CZ3 3.62Å; F602-V633 HydrophobicContact CD1-CG1 4.22Å; F602-V633 HydrophobicContact CD1-CG2 4.41Å; F602-V633 HydrophobicContact CE1-CG1 3.72Å; F602-V633 HydrophobicContact CE2-CG1 4.36Å; F602-V633 HydrophobicContact CG-CG2 4.49Å; F602-V633 HydrophobicContact CZ-CG1 3.81Å; F602-V654 HydrophobicContact CB-CG1 3.88Å; F602-V655 PolarHBondContact N-O 3.25Å
603	S	86.6	Confident	88.7	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.007	18%	0.184	C	C	.	.			trans	-87	52	-163.6	-47.2	0	0	0	0	112.9	L533 K621 D657	L533-S603 WeakPolarHBondContact O-CB 3.44Å; L533-S603 PolarHBondContact O-N 2.78Å; L533-S603 PolarHBondContact O-OG 3.27Å; S603-K621 PolarHBondContact O-NZ 3.46Å; S603-D657 WeakPolarHBondContact CB-OD2 3.47Å; S603-D657 VanDerWaalsContact OG-CB 3.32Å; S603-D657 WeakPolarHBondContact OG-CB 3.46Å
604	F	85.6	Confident	89.7	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.009	15%	0.153	C	C	.	.	S	Bend	trans	-132.2	159.7	179.4	-57.5	-86	0	0	0	110.6	L533 F602 C606 L616 W619 T620 K621 F623	L533-F604 HydrophobicContact CG-CE2 4.29Å; F602-F604 HydrophobicContact CD1-CB 4.08Å; F602-F604 AromaticContact CD1-CD2 3.79Å; F602-F604 HydrophobicContact CD1-CD2 3.79Å; F602-F604 HydrophobicContact CD1-CG 4.42Å; F602-F604 AromaticContact CD2-CD2 3.99Å; F602-F604 HydrophobicContact CD2-CD2 3.99Å; F602-F604 HydrophobicContact CD2-CE2 4.31Å; F602-F604 HydrophobicContact CE1-CB 3.68Å; F602-F604 AromaticContact CE1-CD2 3.52Å; F602-F604 HydrophobicContact CE1-CD2 3.52Å; F602-F604 AromaticContact CE1-CG 3.96Å; F602-F604 HydrophobicContact CE1-CG 3.96Å; F602-F604 AromaticContact CE2-CD2 3.71Å; F602-F604 HydrophobicContact CE2-CD2 3.71Å; F602-F604 AromaticContact CE2-CE2 3.98Å; F602-F604 HydrophobicContact CE2-CE2 3.98Å; F602-F604 HydrophobicContact CG-CD2 4.02Å; F602-F604 HydrophobicContact CZ-CB 4.33Å; F602-F604 AromaticContact CZ-CD2 3.47Å; F602-F604 HydrophobicContact CZ-CD2 3.47Å; F602-F604 VanDerWaalsContact CZ-CD2 3.47Å; F602-F604 HydrophobicContact CZ-CE2 4.11Å; F602-F604 HydrophobicContact CZ-CG 4.14Å; F602-F604 PolarHBondContact O-N 3.12Å; F604-C606 PolarHBondContact O-N 2.87Å; F604-C606 VanDerWaalsContact O-N 3.09Å; F604-L616 HydrophobicContact CB-CD1 3.8Å; F604-W619 AromaticContact CD1-CE3 3.56Å; F604-W619 HydrophobicContact CD1-CE3 3.56Å; F604-W619 AromaticContact CD1-CZ3 3.8Å; F604-W619 HydrophobicContact CD1-CZ3 3.8Å; F604-W619 HydrophobicContact CD2-CE3 4.31Å; F604-W619 AromaticContact CD2-CZ3 3.7Å; F604-W619 HydrophobicContact CD2-CZ3 3.7Å; F604-W619 AromaticContact CE1-CE3 3.59Å; F604-W619 HydrophobicContact CE1-CE3 3.59Å; F604-W619 AromaticContact CE1-CZ3 3.7Å; F604-W619 HydrophobicContact CE1-CZ3 3.7Å; F604-W619 HydrophobicContact CE2-CE3 4.36Å; F604-W619 AromaticContact CE2-CZ3 3.62Å; F604-W619 HydrophobicContact CE2-CZ3 3.62Å; F604-W619 AromaticContact CG-CE3 3.93Å; F604-W619 HydrophobicContact CG-CE3 3.93Å; F604-W619 AromaticContact CG-CZ3 3.79Å; F604-W619 HydrophobicContact CG-CZ3 3.79Å; F604-W619 HydrophobicContact CZ-CE3 4.01Å; F604-W619 AromaticContact CZ-CZ3 3.61Å; F604-W619 HydrophobicContact CZ-CZ3 3.61Å; F604-T620 WeakPolarHBondContact CD1-OG1 3.27Å; F604-K621 HydrophobicContact CE1-CB 4.45Å; F604-F623 HydrophobicContact CE1-CB 4.19Å; F604-F623 AromaticContact CE1-CD2 3.68Å; F604-F623 HydrophobicContact CE1-CD2 3.68Å; F604-F623 HydrophobicContact CE1-CE2 4.31Å; F604-F623 HydrophobicContact CE1-CG 4.03Å; F604-F623 HydrophobicContact CZ-CB 4.44Å; F604-F623 HydrophobicContact CZ-CD1 4.36Å; F604-F623 AromaticContact CZ-CD2 3.45Å; F604-F623 HydrophobicContact CZ-CD2 3.45Å; F604-F623 VanDerWaalsContact CZ-CD2 3.45Å; F604-F623 AromaticContact CZ-CE2 3.67Å; F604-F623 HydrophobicContact CZ-CE2 3.67Å; F604-F623 AromaticContact CZ-CG 3.84Å; F604-F623 HydrophobicContact CZ-CG 3.84Å; F604-F623 HydrophobicContact CZ-CZ 4.22Å
605	P	85.1	Confident	90.5	Very high	18 Å²	18	26 Å²	26	12%	0.117	14%	0.143	C	C	.	.			trans	-62.3	112.9	175.4	-20.8	31.8	0	0	0	110.9	L617 T620 E708	P605-L617 HydrophobicContact CB-CB 4.47Å; P605-L617 WeakPolarHBondContact O-CB 3.42Å; P605-L617 PolarHBondContact O-N 3.43Å; P605-T620 HydrophobicContact CG-CG2 3.84Å; P605-E708 HydrophobicContact CB-CG 4.42Å
606	C	88.9	Confident	90.9	Very high	10 Å²	10	22.8 Å²	22.8	7%	0.068	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136	-179.8	-74.7	0	0	0	0	111.3	L512 F602 F604 S614 I615	L512-C606 WeakPolarHBondContact CD1-O 3.26Å; F602-C606 VanDerWaalsContact CD1-SG 3.54Å; F604-C606 PolarHBondContact O-N 2.87Å; F604-C606 VanDerWaalsContact O-N 3.09Å; C606-S614 WeakPolarHBondContact CB-OG 3.27Å; C606-S614 PolarHBondContact SG-OG 3.46Å; C606-S614 VanDerWaalsContact SG-OG 3.37Å; C606-I615 CarbonylContact C-O 3.57Å; C606-I615 WeakPolarHBondContact CA-O 3.39Å
607	Q	91.3	Very high	91	Very high	91 Å²	91	25.4 Å²	25.4	43%	0.425	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	113.7	165.6	176.5	175.9	-24.1	0	0	107.9	I615 L617	Q607-I615 PolarHBondContact N-O 3.42Å; Q607-I615 PolarHBondContact O-N 2.97Å; Q607-L617 HydrophobicContact CB-CD1 4.27Å; Q607-L617 HydrophobicContact CB-CD2 3.82Å; Q607-L617 HydrophobicContact CB-CG 4.12Å
608	Q	91.3	Very high	90.7	Very high	18 Å²	18	29.7 Å²	29.7	8%	0.084	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	139.4	174.8	-62.2	-171.2	-101.5	0	0	109.6	Y515 E613 V654	Y515-Q608 HydrophobicContact CD2-CB 3.96Å; Y515-Q608 HydrophobicContact CE2-CB 4.04Å; Y515-Q608 VanDerWaalsContact CE2-O 3.32Å; Y515-Q608 WeakPolarHBondContact CE2-O 3.43Å; Q608-E613 WeakPolarHBondContact CA-O 3.42Å; Q608-V654 PolarHBondContact NE2-O 3Å
609	N	89.1	Confident	90.3	Very high	62 Å²	62	30.7 Å²	30.7	33%	0.332	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-22.4	171.5	-64.3	-33.2	0	0	0	111.4	Y515 E613	Y515-N609 WeakPolarHBondContact CE1-O 3.38Å; Y515-N609 PolarHBondContact OH-O 2.7Å; N609-E613 HydrophobicContact CB-CG 4.4Å; N609-E613 PolarHBondContact N-O 2.93Å; N609-E613 PolarHBondContact ND2-OE1 3.35Å
610	S	91	Very high	89.4	Confident	30 Å²	30	31.8 Å²	31.8	21%	0.21	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	-179.8	171.4	68.7	0	0	0	0	108.6	D612 E613	S610-D612 PolarHBondContact O-N 3.5Å; S610-D612 PolarHBondContact OG-N 3.27Å; S610-D612 PolarHBondContact OG-OD1 3.14Å; S610-E613 VanDerWaalsContact OG-CB 3.27Å; S610-E613 WeakPolarHBondContact OG-CB 3.47Å; S610-E613 PolarHBondContact OG-N 3.43Å; S610-E613 VanDerWaalsContact OG-N 3.14Å
611	L	89.9	Confident	88.4	Confident	27 Å²	27	34.3 Å²	34.3	14%	0.141	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-30.3	175.4	-163.1	70.5	0	0	0	112.2	V516 A653 V654 I904 A908	V516-L611 HydrophobicContact CG2-CD1 3.81Å; L611-A653 HydrophobicContact CD1-CB 4.29Å; L611-A653 HydrophobicContact CD2-CB 3.84Å; L611-A653 HydrophobicContact CG-CB 3.7Å; L611-A653 CarbonylContact O-C 3.6Å; L611-A653 VanDerWaalsContact O-CA 3.26Å; L611-A653 WeakPolarHBondContact O-CA 3.49Å; L611-V654 PolarHBondContact O-N 2.85Å; L611-I904 HydrophobicContact CD1-CG2 4.27Å; L611-A908 HydrophobicContact CD2-CB 3.29Å
612	D	91	Very high	87.6	Confident	53 Å²	53	35.4 Å²	35.4	28%	0.283	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	16.6	-176	62.5	-21.3	0	0	0	114.4	S610 V634 R912	S610-D612 PolarHBondContact O-N 3.5Å; S610-D612 PolarHBondContact OG-N 3.27Å; S610-D612 PolarHBondContact OG-OD1 3.14Å; D612-V634 WeakPolarHBondContact O-CB 3.43Å; D612-V634 VanDerWaalsContact O-CG2 3.29Å; D612-V634 WeakPolarHBondContact O-CG2 3.5Å; D612-R912 IonicContact OD2-NH2 3.43Å
613	E	92.5	Very high	87.2	Confident	74 Å²	74	35.5 Å²	35.5	35%	0.346	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	120.7	174.8	-170.7	-171.7	156.9	0	0	109.5	Q608 N609 S610	Q608-E613 WeakPolarHBondContact CA-O 3.42Å; N609-E613 HydrophobicContact CB-CG 4.4Å; N609-E613 PolarHBondContact N-O 2.93Å; N609-E613 PolarHBondContact ND2-OE1 3.35Å; S610-E613 VanDerWaalsContact OG-CB 3.27Å; S610-E613 WeakPolarHBondContact OG-CB 3.47Å; S610-E613 PolarHBondContact OG-N 3.43Å; S610-E613 VanDerWaalsContact OG-N 3.14Å
614	S	93.1	Very high	87.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	102.8	-171	173.5	0	0	0	0	111.7	C606 D632 V633	C606-S614 WeakPolarHBondContact CB-OG 3.27Å; C606-S614 PolarHBondContact SG-OG 3.46Å; C606-S614 VanDerWaalsContact SG-OG 3.37Å; S614-D632 PolarHBondContact N-OD1 3.44Å; S614-D632 WeakPolarHBondContact O-CA 3.33Å; S614-V633 WeakPolarHBondContact O-CG2 3.37Å; S614-V633 PolarHBondContact O-N 3.12Å
615	I	94.6	Very high	87.5	Confident	41 Å²	41	41.5 Å²	41.5	21%	0.21	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	119.6	180	-58.5	170.4	0	0	0	109.5	C606 Q607 L617 G630 E631	C606-I615 CarbonylContact C-O 3.57Å; C606-I615 WeakPolarHBondContact CA-O 3.39Å; Q607-I615 PolarHBondContact N-O 3.42Å; Q607-I615 PolarHBondContact O-N 2.97Å; I615-L617 PolarHBondContact O-N 2.75Å; I615-G630 WeakPolarHBondContact CG2-O 3.45Å; I615-E631 WeakPolarHBondContact CA-O 3.46Å
616	L	92.6	Very high	87.9	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	118.3	174.7	170.8	65.6	0	0	0	110	F602 F604 W619 C628 E629 G630 E631 V633	F602-L616 HydrophobicContact CE1-CB 4.47Å; F602-L616 HydrophobicContact CE1-CD1 3.91Å; F602-L616 HydrophobicContact CZ-CD1 4.35Å; F602-L616 HydrophobicContact CZ-CD2 4.48Å; F604-L616 HydrophobicContact CB-CD1 3.8Å; L616-W619 HydrophobicContact CD1-CE3 4.39Å; L616-W619 HydrophobicContact CD2-CD2 3.67Å; L616-W619 VanDerWaalsContact CD2-CE2 3.42Å; L616-W619 HydrophobicContact CD2-CE3 4.02Å; L616-W619 HydrophobicContact CD2-CG 4.24Å; L616-W619 HydrophobicContact CD2-CH2 3.97Å; L616-W619 HydrophobicContact CD2-CZ2 3.6Å; L616-W619 HydrophobicContact CD2-CZ3 4.15Å; L616-C628 HydrophobicContact CD2-CB 3.69Å; L616-E629 HydrophobicContact CD2-CG 4.12Å; L616-E629 HydrophobicContact CG-CG 4.4Å; L616-G630 PolarHBondContact O-N 2.95Å; L616-E631 PolarHBondContact N-O 3.49Å; L616-V633 HydrophobicContact CB-CG1 4Å
617	L	88.3	Confident	88.1	Confident	73 Å²	73	46.2 Å²	46.2	38%	0.382	25%	0.252	S	S	.	.			trans	-79.4	-45.3	179.2	-66	176.8	0	0	0	111.6	L512 P605 Q607 I615	L512-L617 HydrophobicContact CD1-CD1 4.46Å; L512-L617 HydrophobicContact CD2-CD1 4.46Å; P605-L617 HydrophobicContact CB-CB 4.47Å; P605-L617 WeakPolarHBondContact O-CB 3.42Å; P605-L617 PolarHBondContact O-N 3.43Å; Q607-L617 HydrophobicContact CB-CD1 4.27Å; Q607-L617 HydrophobicContact CB-CD2 3.82Å; Q607-L617 HydrophobicContact CB-CG 4.12Å; I615-L617 PolarHBondContact O-N 2.75Å
618	K	85.8	Confident	88.2	Confident	120 Å²	120	41.9 Å²	41.9	52%	0.522	23%	0.232	S	C	.	.			trans	-163.5	141.2	-176.9	-165.2	158.2	-173.3	165.1	0	112
619	W	84.9	Confident	88.3	Confident	22 Å²	22	45.7 Å²	45.7	8%	0.083	25%	0.249	C	C	.	.			trans	-68.4	143.1	171.1	-75.6	122.3	0	0	0	112.7	L574 F602 F604 L616 F623 A625 C628 E629	L574-W619 HydrophobicContact CD2-CH2 3.93Å; L574-W619 HydrophobicContact CD2-CZ2 4.03Å; F602-W619 HydrophobicContact CE2-CH2 4.01Å; F602-W619 HydrophobicContact CE2-CZ3 4.16Å; F602-W619 AromaticContact CZ-CH2 3.6Å; F602-W619 HydrophobicContact CZ-CH2 3.6Å; F602-W619 AromaticContact CZ-CZ3 3.62Å; F602-W619 HydrophobicContact CZ-CZ3 3.62Å; F604-W619 AromaticContact CD1-CE3 3.56Å; F604-W619 HydrophobicContact CD1-CE3 3.56Å; F604-W619 AromaticContact CD1-CZ3 3.8Å; F604-W619 HydrophobicContact CD1-CZ3 3.8Å; F604-W619 HydrophobicContact CD2-CE3 4.31Å; F604-W619 AromaticContact CD2-CZ3 3.7Å; F604-W619 HydrophobicContact CD2-CZ3 3.7Å; F604-W619 AromaticContact CE1-CE3 3.59Å; F604-W619 HydrophobicContact CE1-CE3 3.59Å; F604-W619 AromaticContact CE1-CZ3 3.7Å; F604-W619 HydrophobicContact CE1-CZ3 3.7Å; F604-W619 HydrophobicContact CE2-CE3 4.36Å; F604-W619 AromaticContact CE2-CZ3 3.62Å; F604-W619 HydrophobicContact CE2-CZ3 3.62Å; F604-W619 AromaticContact CG-CE3 3.93Å; F604-W619 HydrophobicContact CG-CE3 3.93Å; F604-W619 AromaticContact CG-CZ3 3.79Å; F604-W619 HydrophobicContact CG-CZ3 3.79Å; F604-W619 HydrophobicContact CZ-CE3 4.01Å; F604-W619 AromaticContact CZ-CZ3 3.61Å; F604-W619 HydrophobicContact CZ-CZ3 3.61Å; L616-W619 HydrophobicContact CD1-CE3 4.39Å; L616-W619 HydrophobicContact CD2-CD2 3.67Å; L616-W619 VanDerWaalsContact CD2-CE2 3.42Å; L616-W619 HydrophobicContact CD2-CE3 4.02Å; L616-W619 HydrophobicContact CD2-CG 4.24Å; L616-W619 HydrophobicContact CD2-CH2 3.97Å; L616-W619 HydrophobicContact CD2-CZ2 3.6Å; L616-W619 HydrophobicContact CD2-CZ3 4.15Å; W619-F623 HydrophobicContact CB-CB 4.39Å; W619-F623 VanDerWaalsContact CB-O 3.24Å; W619-F623 WeakPolarHBondContact CB-O 3.28Å; W619-F623 HydrophobicContact CD2-CB 3.67Å; W619-F623 HydrophobicContact CE3-CB 3.4Å; W619-F623 VanDerWaalsContact CE3-CB 3.4Å; W619-F623 HydrophobicContact CE3-CG 4.08Å; W619-F623 HydrophobicContact CG-CB 4.14Å; W619-F623 HydrophobicContact CH2-CD1 4.32Å; W619-F623 HydrophobicContact CZ3-CB 3.89Å; W619-F623 HydrophobicContact CZ3-CD1 4.13Å; W619-F623 HydrophobicContact CZ3-CG 4.09Å; W619-A625 HydrophobicContact CZ2-CB 4.17Å; W619-A625 PolarHBondContact NE1-O 3.12Å; W619-C628 HydrophobicContact CZ2-CB 3.58Å; W619-E629 HydrophobicContact CG-CG 4.4Å; W619-E629 PolarHBondContact N-OE1 3.23Å
620	T	76.3	Confident	88.5	Confident	23 Å²	23	45.1 Å²	45.1	14%	0.141	26%	0.259	C	S	.	.			trans	-133.6	-176.5	172.8	66.9	0	0	0	0	109.4	F604 P605 G622 F623	F604-T620 WeakPolarHBondContact CD1-OG1 3.27Å; P605-T620 HydrophobicContact CG-CG2 3.84Å; T620-G622 PolarHBondContact O-N 2.83Å; T620-F623 PolarHBondContact O-N 2.78Å
621	K	73.3	Confident	88.7	Confident	53 Å²	53	48.7 Å²	48.7	23%	0.23	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	23.5	169.2	-55.9	169.8	-173.7	174	0	115.3	G534 S603 F604 D657	G534-K621 WeakPolarHBondContact O-CD 3.35Å; S603-K621 PolarHBondContact O-NZ 3.46Å; F604-K621 HydrophobicContact CE1-CB 4.45Å; K621-D657 IonicContact NZ-OD2 2.88Å; K621-D657 PolarHBondContact NZ-OD2 2.85Å
622	G	76.1	Confident	89	Confident	23 Å²	23	48.5 Å²	48.5	24%	0.237	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.9	-1.3	174.5	0	0	0	0	0	116.7	H568 T620	H568-G622 PolarHBondContact NE2-O 3.35Å; T620-G622 PolarHBondContact O-N 2.83Å
623	F	84.6	Confident	89.1	Confident	5 Å²	5	46 Å²	46	2%	0.022	26%	0.258	C	S	.	.			trans	-76	147.4	172.9	-77.6	-102.8	0	0	0	111.6	L533 G535 I562 M567 L574 F604 W619 T620	L533-F623 HydrophobicContact CD1-CE1 4.44Å; L533-F623 HydrophobicContact CD1-CZ 4.14Å; G535-F623 WeakPolarHBondContact O-CZ 3.21Å; I562-F623 HydrophobicContact CD1-CE1 4.37Å; I562-F623 HydrophobicContact CD1-CZ 4.33Å; M567-F623 HydrophobicContact CB-CD1 4.34Å; M567-F623 HydrophobicContact CB-CE1 4.46Å; M567-F623 HydrophobicContact CE-CD1 4.24Å; M567-F623 HydrophobicContact CE-CD2 3.59Å; M567-F623 HydrophobicContact CE-CE1 4.14Å; M567-F623 HydrophobicContact CE-CE2 3.47Å; M567-F623 VanDerWaalsContact CE-CE2 3.47Å; M567-F623 HydrophobicContact CE-CG 3.98Å; M567-F623 HydrophobicContact CE-CZ 3.76Å; M567-F623 HydrophobicContact CG-CD1 4.31Å; M567-F623 HydrophobicContact CG-CE1 3.95Å; M567-F623 HydrophobicContact CG-CZ 4.24Å; M567-F623 HydrophobicContact SD-CZ 4.4Å; L574-F623 HydrophobicContact CD1-CE1 4.29Å; L574-F623 HydrophobicContact CD2-CD1 4.41Å; F604-F623 HydrophobicContact CE1-CB 4.19Å; F604-F623 AromaticContact CE1-CD2 3.68Å; F604-F623 HydrophobicContact CE1-CD2 3.68Å; F604-F623 HydrophobicContact CE1-CE2 4.31Å; F604-F623 HydrophobicContact CE1-CG 4.03Å; F604-F623 HydrophobicContact CZ-CB 4.44Å; F604-F623 HydrophobicContact CZ-CD1 4.36Å; F604-F623 AromaticContact CZ-CD2 3.45Å; F604-F623 HydrophobicContact CZ-CD2 3.45Å; F604-F623 VanDerWaalsContact CZ-CD2 3.45Å; F604-F623 AromaticContact CZ-CE2 3.67Å; F604-F623 HydrophobicContact CZ-CE2 3.67Å; F604-F623 AromaticContact CZ-CG 3.84Å; F604-F623 HydrophobicContact CZ-CG 3.84Å; F604-F623 HydrophobicContact CZ-CZ 4.22Å; W619-F623 HydrophobicContact CB-CB 4.39Å; W619-F623 VanDerWaalsContact CB-O 3.24Å; W619-F623 WeakPolarHBondContact CB-O 3.28Å; W619-F623 HydrophobicContact CD2-CB 3.67Å; W619-F623 HydrophobicContact CE3-CB 3.4Å; W619-F623 VanDerWaalsContact CE3-CB 3.4Å; W619-F623 HydrophobicContact CE3-CG 4.08Å; W619-F623 HydrophobicContact CG-CB 4.14Å; W619-F623 HydrophobicContact CH2-CD1 4.32Å; W619-F623 HydrophobicContact CZ3-CB 3.89Å; W619-F623 HydrophobicContact CZ3-CD1 4.13Å; W619-F623 HydrophobicContact CZ3-CG 4.09Å; T620-F623 PolarHBondContact O-N 2.78Å
624	K	87.1	Confident	89.2	Confident	126 Å²	126	42.5 Å²	42.5	55%	0.548	24%	0.241	S	C	.	.			trans	-149.9	20.3	177.4	-68.3	-166.9	175.7	-176.9	0	114	M567 S626	M567-K624 PolarHBondContact O-N 3.19Å; K624-S626 PolarHBondContact O-N 3.43Å
625	A	91.6	Very high	89.2	Confident	2 Å²	2	45.5 Å²	45.5	2%	0.017	26%	0.26	C	S	.	.			trans	-56.9	124.1	-177.3	0	0	0	0	0	111	M567 G569 L574 W619	M567-A625 PolarHBondContact O-N 3.44Å; M567-A625 VanDerWaalsContact O-N 3.13Å; G569-A625 CarbonylContact O-C 3.56Å; G569-A625 VanDerWaalsContact O-CA 3.27Å; G569-A625 WeakPolarHBondContact O-CA 3.16Å; L574-A625 HydrophobicContact CB-CB 4.28Å; L574-A625 HydrophobicContact CD2-CB 3.88Å; W619-A625 HydrophobicContact CZ2-CB 4.17Å; W619-A625 PolarHBondContact NE1-O 3.12Å
626	S	92.4	Very high	89.2	Confident	71 Å²	71	44.2 Å²	44.2	50%	0.497	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-77.3	143.9	-174.7	65	0	0	0	0	111.7	G569 G571 K624	G569-S626 PolarHBondContact O-N 3.12Å; G571-S626 PolarHBondContact N-O 2.78Å; K624-S626 PolarHBondContact O-N 3.43Å
627	G	92.9	Very high	89.3	Confident	56 Å²	56	44.2 Å²	44.2	58%	0.577	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	83	14.7	-178.9	0	0	0	0	0	114.1	E631	G627-E631 WeakPolarHBondContact O-CG 3.33Å
628	C	93.5	Very high	89.5	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.255	C	S	.	.			trans	-105	-37.4	172.4	-53.6	0	0	0	0	113.3	G571 L616 W619 G630 E631 L636	G571-C628 WeakPolarHBondContact CA-SG 3.49Å; L616-C628 HydrophobicContact CD2-CB 3.69Å; W619-C628 HydrophobicContact CZ2-CB 3.58Å; C628-G630 PolarHBondContact O-N 2.89Å; C628-E631 PolarHBondContact O-N 3.39Å; C628-E631 VanDerWaalsContact O-N 3.1Å; C628-L636 HydrophobicContact CB-CD1 4.23Å
629	E	93.5	Very high	89.8	Confident	98 Å²	98	44 Å²	44	46%	0.458	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	126.6	-179.2	-65.4	-174.3	166.1	0	0	110.3	L616 W619 E631	L616-E629 HydrophobicContact CD2-CG 4.12Å; L616-E629 HydrophobicContact CG-CG 4.4Å; W619-E629 HydrophobicContact CG-CG 4.4Å; W619-E629 PolarHBondContact N-OE1 3.23Å; E629-E631 VanDerWaalsContact C-N 3.33Å
630	G	93.7	Very high	90.2	Very high	51 Å²	51	43 Å²	43	53%	0.526	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	-7.6	-173.3	0	0	0	0	0	114.6	I615 L616 C628	I615-G630 WeakPolarHBondContact CG2-O 3.45Å; L616-G630 PolarHBondContact O-N 2.95Å; C628-G630 PolarHBondContact O-N 2.89Å
631	E	95.7	Very high	90.8	Very high	105 Å²	105	42.5 Å²	42.5	49%	0.491	24%	0.243	S	C	.	.	S	Bend	trans	-101.9	153.6	-179.7	-60.3	-59.2	152.4	0	0	111.6	I615 L616 G627 C628 E629 V633 L636	I615-E631 WeakPolarHBondContact CA-O 3.46Å; L616-E631 PolarHBondContact N-O 3.49Å; G627-E631 WeakPolarHBondContact O-CG 3.33Å; C628-E631 PolarHBondContact O-N 3.39Å; C628-E631 VanDerWaalsContact O-N 3.1Å; E629-E631 VanDerWaalsContact C-N 3.33Å; E631-V633 PolarHBondContact O-N 2.88Å; E631-L636 HydrophobicContact CB-CD1 4.01Å; E631-L636 HydrophobicContact CB-CD2 4.47Å; E631-L636 HydrophobicContact CB-CG 4.31Å
632	D	95.4	Very high	91.6	Very high	23 Å²	23	46.7 Å²	46.7	12%	0.123	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-76.9	118.3	173.1	169.5	36.2	0	0	0	111	S614 V634 T635 L636	S614-D632 PolarHBondContact N-OD1 3.44Å; S614-D632 WeakPolarHBondContact O-CA 3.33Å; D632-V634 PolarHBondContact O-N 2.75Å; D632-V634 PolarHBondContact OD1-N 2.62Å; D632-V634 VanDerWaalsContact OD1-N 3.09Å; D632-T635 WeakPolarHBondContact O-CB 3.46Å; D632-T635 PolarHBondContact O-N 3.27Å; D632-T635 VanDerWaalsContact O-N 3.13Å; D632-T635 WeakPolarHBondContact OD2-CB 3.15Å; D632-T635 PolarHBondContact OD2-N 3.09Å; D632-T635 PolarHBondContact OD2-OG1 2.88Å; D632-L636 PolarHBondContact O-N 2.88Å
633	V	94.1	Very high	92.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-67.2	-23.8	-176.9	-56.7	0	0	0	0	112.9	F575 F602 S614 L616 E631 L637 V654	F575-V633 HydrophobicContact CZ-CB 4.12Å; F575-V633 HydrophobicContact CZ-CG1 4.42Å; F602-V633 HydrophobicContact CD1-CG1 4.22Å; F602-V633 HydrophobicContact CD1-CG2 4.41Å; F602-V633 HydrophobicContact CE1-CG1 3.72Å; F602-V633 HydrophobicContact CE2-CG1 4.36Å; F602-V633 HydrophobicContact CG-CG2 4.49Å; F602-V633 HydrophobicContact CZ-CG1 3.81Å; S614-V633 WeakPolarHBondContact O-CG2 3.37Å; S614-V633 PolarHBondContact O-N 3.12Å; L616-V633 HydrophobicContact CB-CG1 4Å; E631-V633 PolarHBondContact O-N 2.88Å; V633-L637 WeakPolarHBondContact O-CB 3.5Å; V633-L637 PolarHBondContact O-N 3.05Å; V633-V654 HydrophobicContact CG2-CG1 4.09Å; V633-V654 HydrophobicContact CG2-CG2 4.16Å
634	V	93.4	Very high	92.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-71.7	-43.6	173.6	179.7	0	0	0	0	110.2	D612 D632 L637 K638 V651 V654	D612-V634 WeakPolarHBondContact O-CB 3.43Å; D612-V634 VanDerWaalsContact O-CG2 3.29Å; D612-V634 WeakPolarHBondContact O-CG2 3.5Å; D632-V634 PolarHBondContact O-N 2.75Å; D632-V634 PolarHBondContact OD1-N 2.62Å; D632-V634 VanDerWaalsContact OD1-N 3.09Å; V634-L637 PolarHBondContact O-N 2.88Å; V634-K638 HydrophobicContact CG1-CD 3.94Å; V634-K638 VanDerWaalsContact CG1-CE 3.49Å; V634-K638 HydrophobicContact CG1-CG 4.38Å; V634-K638 WeakPolarHBondContact O-CB 3.41Å; V634-K638 VanDerWaalsContact O-CG 3.31Å; V634-K638 WeakPolarHBondContact O-CG 3.43Å; V634-K638 PolarHBondContact O-N 3.44Å; V634-V651 HydrophobicContact CG1-CB 3.98Å; V634-V651 HydrophobicContact CG1-CG1 3.85Å; V634-V651 HydrophobicContact CG2-CG1 4.14Å; V634-V654 HydrophobicContact CG2-CG2 3.09Å
635	T	93.8	Very high	92	Very high	63 Å²	63	55 Å²	55	39%	0.387	29%	0.291	S	S	.	.	H	α-helix	trans	-59.1	-48.4	173.9	-63	0	0	0	0	111.1	D632 L637 K638 E639	D632-T635 WeakPolarHBondContact O-CB 3.46Å; D632-T635 PolarHBondContact O-N 3.27Å; D632-T635 VanDerWaalsContact O-N 3.13Å; D632-T635 WeakPolarHBondContact OD2-CB 3.15Å; D632-T635 PolarHBondContact OD2-N 3.09Å; D632-T635 PolarHBondContact OD2-OG1 2.88Å; T635-L637 VanDerWaalsContact C-N 3.32Å; T635-L637 PolarHBondContact O-N 3.23Å; T635-K638 PolarHBondContact O-N 2.9Å; T635-K638 VanDerWaalsContact O-N 3.14Å; T635-E639 HydrophobicContact CG2-CG 4.37Å; T635-E639 WeakPolarHBondContact O-CG 3.07Å; T635-E639 PolarHBondContact O-N 2.8Å
636	L	95.2	Very high	91.4	Very high	15 Å²	15	58.9 Å²	58.9	8%	0.079	31%	0.309	C	S	.	.	H	α-helix	trans	-58.2	-42	176.5	-65.9	175.8	0	0	0	112.7	F575 C628 E631 D632 A640	F575-L636 HydrophobicContact CD1-CB 4.11Å; F575-L636 HydrophobicContact CD2-CB 3.83Å; F575-L636 HydrophobicContact CD2-CD1 4.18Å; F575-L636 HydrophobicContact CE1-CB 3.98Å; F575-L636 HydrophobicContact CE2-CB 3.73Å; F575-L636 HydrophobicContact CE2-CD1 3.53Å; F575-L636 HydrophobicContact CE2-CG 4.27Å; F575-L636 HydrophobicContact CG-CB 4.04Å; F575-L636 HydrophobicContact CZ-CB 3.8Å; F575-L636 HydrophobicContact CZ-CD1 3.96Å; C628-L636 HydrophobicContact CB-CD1 4.23Å; E631-L636 HydrophobicContact CB-CD1 4.01Å; E631-L636 HydrophobicContact CB-CD2 4.47Å; E631-L636 HydrophobicContact CB-CG 4.31Å; D632-L636 PolarHBondContact O-N 2.88Å; L636-A640 PolarHBondContact O-N 2.96Å; L636-A640 VanDerWaalsContact O-N 3.08Å
637	L	93.9	Very high	90.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-66	-43.1	175.7	-179.2	61.5	0	0	0	111.9	L531 F575 I578 V579 I582 F600 V633 V634 T635 A640 I641 V651	L531-L637 HydrophobicContact CD1-CD2 3.87Å; F575-L637 HydrophobicContact CD1-CB 3.96Å; F575-L637 HydrophobicContact CD1-CD1 4.28Å; F575-L637 HydrophobicContact CE1-CB 4.1Å; I578-L637 HydrophobicContact CG2-CD1 3.98Å; V579-L637 HydrophobicContact CG2-CD1 3.88Å; I582-L637 HydrophobicContact CD1-CD1 4.35Å; F600-L637 HydrophobicContact CD1-CD2 3.71Å; F600-L637 HydrophobicContact CE1-CB 4.49Å; F600-L637 HydrophobicContact CE1-CD2 3.92Å; V633-L637 WeakPolarHBondContact O-CB 3.5Å; V633-L637 PolarHBondContact O-N 3.05Å; V634-L637 PolarHBondContact O-N 2.88Å; T635-L637 VanDerWaalsContact C-N 3.32Å; T635-L637 PolarHBondContact O-N 3.23Å; L637-A640 PolarHBondContact O-N 3.06Å; L637-I641 HydrophobicContact CD1-CD1 4.37Å; L637-I641 HydrophobicContact CG-CD1 4.07Å; L637-I641 VanDerWaalsContact O-CG1 3.27Å; L637-I641 WeakPolarHBondContact O-CG1 3.44Å; L637-I641 PolarHBondContact O-N 3.23Å; L637-V651 HydrophobicContact CD2-CG2 4.08Å
638	K	91.6	Very high	90.3	Very high	97 Å²	97	59.7 Å²	59.7	42%	0.422	29%	0.293	S	S	.	.	H	α-helix	trans	-63.6	-40.8	177.5	-76.7	172.7	178.5	167.6	0	111.7	V634 T635 I641 H642	V634-K638 HydrophobicContact CG1-CD 3.94Å; V634-K638 VanDerWaalsContact CG1-CE 3.49Å; V634-K638 HydrophobicContact CG1-CG 4.38Å; V634-K638 WeakPolarHBondContact O-CB 3.41Å; V634-K638 VanDerWaalsContact O-CG 3.31Å; V634-K638 WeakPolarHBondContact O-CG 3.43Å; V634-K638 PolarHBondContact O-N 3.44Å; T635-K638 PolarHBondContact O-N 2.9Å; T635-K638 VanDerWaalsContact O-N 3.14Å; K638-I641 PolarHBondContact O-N 3.44Å; K638-H642 WeakPolarHBondContact O-CB 3.45Å; K638-H642 PolarHBondContact O-N 2.74Å
639	E	92.9	Very high	89.7	Confident	92 Å²	92	60.1 Å²	60.1	43%	0.43	30%	0.296	S	S	.	.	H	α-helix	trans	-62.9	-43.8	175.5	-73.2	-178.9	169.5	0	0	111.6	T635 I641 H642 R643	T635-E639 HydrophobicContact CG2-CG 4.37Å; T635-E639 WeakPolarHBondContact O-CG 3.07Å; T635-E639 PolarHBondContact O-N 2.8Å; E639-I641 PolarHBondContact O-N 3.4Å; E639-H642 PolarHBondContact O-N 3.1Å; E639-R643 WeakPolarHBondContact O-CG 3.17Å; E639-R643 PolarHBondContact O-N 3.28Å
640	A	93.3	Very high	89.4	Confident	1 Å²	1	59 Å²	59	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-63.9	-38.7	175.5	0	0	0	0	0	112.9	F575 V579 L636 L637 H642 R644	F575-A640 HydrophobicContact CB-CB 3.75Å; V579-A640 HydrophobicContact CB-CB 4.43Å; V579-A640 HydrophobicContact CG2-CB 3.63Å; L636-A640 PolarHBondContact O-N 2.96Å; L636-A640 VanDerWaalsContact O-N 3.08Å; L637-A640 PolarHBondContact O-N 3.06Å; A640-H642 VanDerWaalsContact C-N 3.34Å; A640-R644 PolarHBondContact O-N 2.99Å
641	I	89.7	Confident	89.3	Confident	11 Å²	11	56.6 Å²	56.6	6%	0.056	27%	0.268	C	S	.	.	H	α-helix	trans	-62.8	-44.6	173	-68.2	166.2	0	0	0	109.9	V579 L637 K638 E639 R644 E645 F647 L649	V579-I641 HydrophobicContact CG1-CG1 4.39Å; V579-I641 HydrophobicContact CG2-CG1 3.72Å; L637-I641 HydrophobicContact CD1-CD1 4.37Å; L637-I641 HydrophobicContact CG-CD1 4.07Å; L637-I641 VanDerWaalsContact O-CG1 3.27Å; L637-I641 WeakPolarHBondContact O-CG1 3.44Å; L637-I641 PolarHBondContact O-N 3.23Å; K638-I641 PolarHBondContact O-N 3.44Å; E639-I641 PolarHBondContact O-N 3.4Å; I641-R644 PolarHBondContact O-N 3.46Å; I641-E645 PolarHBondContact O-N 3.41Å; I641-F647 HydrophobicContact CG1-CE2 4.28Å; I641-F647 HydrophobicContact CG2-CE2 4.38Å; I641-F647 VanDerWaalsContact CG2-O 3.3Å; I641-F647 WeakPolarHBondContact CG2-O 3.12Å; I641-L649 HydrophobicContact CD1-CB 4.2Å; I641-L649 HydrophobicContact CD1-CD1 4.17Å
642	H	89	Confident	89	Confident	142 Å²	142	51.6 Å²	51.6	66%	0.657	25%	0.245	S	C	*	.	H	α-helix	trans	-63.9	-42.3	179.5	-170.5	61.3	0	0	0	112.4	K638 E639 A640 R644 E645	K638-H642 WeakPolarHBondContact O-CB 3.45Å; K638-H642 PolarHBondContact O-N 2.74Å; E639-H642 PolarHBondContact O-N 3.1Å; A640-H642 VanDerWaalsContact C-N 3.34Å; H642-R644 PolarHBondContact O-N 3.19Å; H642-R644 VanDerWaalsContact O-N 3.1Å; H642-E645 WeakPolarHBondContact O-CG 3.27Å; H642-E645 PolarHBondContact O-N 3.17Å
643	R	91.7	Very high	88.9	Confident	103 Å²	103	50.5 Å²	50.5	39%	0.389	24%	0.239	S	C	.	.	H	α-helix	trans	-56.6	-26.1	175.6	-77.2	-171	-65.6	-104	10.5	113.3	D572 D576 E639	D572-R643 IonicContact OD1-CZ 2.82Å; D572-R643 VanDerWaalsContact OD1-CZ 3.27Å; D572-R643 IonicContact OD1-NH1 2.73Å; D572-R643 PolarHBondContact OD1-NH1 2.61Å; D572-R643 IonicContact OD1-NH2 3.96Å; D572-R643 PolarHBondContact OD1-NH2 2.84Å; D572-R643 VanDerWaalsContact OD1-NH2 3.15Å; D576-R643 IonicContact OD1-CZ 3.5Å; D576-R643 VanDerWaalsContact OD1-CZ 3.27Å; D576-R643 IonicContact OD1-NE 3.38Å; D576-R643 PolarHBondContact OD1-NE 2.85Å; D576-R643 IonicContact OD1-NH2 2.72Å; D576-R643 PolarHBondContact OD1-NH2 3.24Å; D576-R643 IonicContact OD2-NE 3.97Å; E639-R643 WeakPolarHBondContact O-CG 3.17Å; E639-R643 PolarHBondContact O-N 3.28Å
644	R	84.2	Confident	88.8	Confident	53 Å²	53	50.7 Å²	50.7	20%	0.2	24%	0.24	C	C	.	.	H	α-helix	trans	-92.2	-25.4	-175.7	-166.1	171	-180	177.9	6.8	114.9	V579 Q580 A583 A640 I641 H642 E646	V579-R644 HydrophobicContact CG1-CB 4.21Å; V579-R644 PolarHBondContact O-NH1 3.31Å; Q580-R644 VanDerWaalsContact CD-NH2 3.29Å; A583-R644 VanDerWaalsContact CB-NH2 3.26Å; A640-R644 PolarHBondContact O-N 2.99Å; I641-R644 PolarHBondContact O-N 3.46Å; H642-R644 PolarHBondContact O-N 3.19Å; H642-R644 VanDerWaalsContact O-N 3.1Å; R644-E646 HydrophobicContact CG-CB 4.25Å; R644-E646 HydrophobicContact CG-CG 4.09Å; R644-E646 IonicContact CZ-OE1 3.62Å; R644-E646 IonicContact NE-OE1 2.63Å; R644-E646 PolarHBondContact NE-OE1 2.78Å; R644-E646 IonicContact NH2-OE1 3.51Å; R644-E646 PolarHBondContact NH2-OE1 3.36Å; R644-E646 PolarHBondContact O-N 3.08Å
645	E	80.4	Confident	88.7	Confident	172 Å²	172	50.8 Å²	50.8	80%	0.804	24%	0.241	S	C	*	.			trans	53	25	177.9	-58.4	-171.1	157.7	0	0	115.9	I641 H642	I641-E645 PolarHBondContact O-N 3.41Å; H642-E645 WeakPolarHBondContact O-CG 3.27Å; H642-E645 PolarHBondContact O-N 3.17Å
646	E	78.4	Confident	88.5	Confident	83 Å²	83	48.1 Å²	48.1	39%	0.388	22%	0.224	S	C	.	.	S	Bend	trans	-102.3	-29.4	-176.3	-80.1	-167.5	-118.5	0	0	114.9	K592 R644	K592-E646 IonicContact NZ-OE2 3.4Å; K592-E646 PolarHBondContact NZ-OE2 3.22Å; K592-E646 VanDerWaalsContact NZ-OE2 3.13Å; R644-E646 HydrophobicContact CG-CB 4.25Å; R644-E646 HydrophobicContact CG-CG 4.09Å; R644-E646 IonicContact CZ-OE1 3.62Å; R644-E646 IonicContact NE-OE1 2.63Å; R644-E646 PolarHBondContact NE-OE1 2.78Å; R644-E646 IonicContact NH2-OE1 3.51Å; R644-E646 PolarHBondContact NH2-OE1 3.36Å; R644-E646 PolarHBondContact O-N 3.08Å
647	F	81.5	Confident	88.3	Confident	28 Å²	28	48.2 Å²	48.2	12%	0.123	23%	0.225	C	C	.	.			trans	-159	167.6	-176.6	61	-85.9	0	0	0	110.5	V579 I582 A583 L586 I641 L649	V579-F647 HydrophobicContact CG1-CE1 4.17Å; V579-F647 HydrophobicContact CG1-CZ 3.84Å; I582-F647 HydrophobicContact CB-CZ 4.15Å; I582-F647 HydrophobicContact CG2-CE2 3.78Å; I582-F647 HydrophobicContact CG2-CZ 3.79Å; A583-F647 HydrophobicContact CB-CD1 4.28Å; A583-F647 HydrophobicContact CB-CE1 3.7Å; L586-F647 HydrophobicContact CD1-CD2 3.98Å; L586-F647 HydrophobicContact CD1-CE2 4.32Å; L586-F647 HydrophobicContact CD1-CG 4.1Å; I641-F647 HydrophobicContact CG1-CE2 4.28Å; I641-F647 HydrophobicContact CG2-CE2 4.38Å; I641-F647 VanDerWaalsContact CG2-O 3.3Å; I641-F647 WeakPolarHBondContact CG2-O 3.12Å; F647-L649 HydrophobicContact CD2-CD1 4.01Å; F647-L649 HydrophobicContact CD2-CD2 4.45Å; F647-L649 HydrophobicContact CD2-CG 3.83Å; F647-L649 HydrophobicContact CE2-CD1 3.52Å; F647-L649 HydrophobicContact CE2-CG 3.87Å
648	D	82	Confident	88.2	Confident	116 Å²	116	48.2 Å²	48.2	62%	0.62	23%	0.225	S	C	*	.			trans	-128.4	143.4	178.3	-169.8	23.5	0	0	0	110.4	S595	S595-D648 PolarHBondContact OG-O 2.83Å
649	L	81.3	Confident	88.3	Confident	9 Å²	9	43.6 Å²	43.6	5%	0.047	21%	0.205	C	C	.	.			trans	-135.4	136	-176.8	-68.3	176.7	0	0	0	111.5	L529 I582 L598 I641 F647 V651	L529-L649 HydrophobicContact CD1-CD2 3.49Å; L529-L649 VanDerWaalsContact CD1-CD2 3.49Å; I582-L649 HydrophobicContact CG2-CD1 3.85Å; L598-L649 HydrophobicContact CD1-CD1 3.67Å; I641-L649 HydrophobicContact CD1-CB 4.2Å; I641-L649 HydrophobicContact CD1-CD1 4.17Å; F647-L649 HydrophobicContact CD2-CD1 4.01Å; F647-L649 HydrophobicContact CD2-CD2 4.45Å; F647-L649 HydrophobicContact CD2-CG 3.83Å; F647-L649 HydrophobicContact CE2-CD1 3.52Å; F647-L649 HydrophobicContact CE2-CG 3.87Å; L649-V651 PolarHBondContact O-N 3.08Å
650	D	87	Confident	88.3	Confident	74 Å²	74	39.2 Å²	39.2	40%	0.396	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	93.9	172.7	-178.8	20	0	0	0	109.3	P597 L598 V652	P597-D650 CarbonylContact C-O 3.6Å; P597-D650 WeakPolarHBondContact CA-O 3.3Å; L598-D650 PolarHBondContact N-O 3Å; D650-V652 PolarHBondContact O-N 2.92Å; D650-V652 VanDerWaalsContact O-N 3.16Å
651	V	90.3	Very high	88.4	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	103.4	174.5	-172.3	0	0	0	0	108.8	L598 V634 L637 L649	L598-V651 HydrophobicContact CD2-CG1 4.07Å; L598-V651 HydrophobicContact CD2-CG2 4.23Å; V634-V651 HydrophobicContact CG1-CB 3.98Å; V634-V651 HydrophobicContact CG1-CG1 3.85Å; V634-V651 HydrophobicContact CG2-CG1 4.14Å; L637-V651 HydrophobicContact CD2-CG2 4.08Å; L649-V651 PolarHBondContact O-N 3.08Å
652	V	91.1	Very high	88.7	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-31	-173.8	175.8	0	0	0	0	112.3	P597 L598 D650 T905 A908	P597-V652 HydrophobicContact CB-CG2 3.81Å; L598-V652 PolarHBondContact O-N 3Å; D650-V652 PolarHBondContact O-N 2.92Å; D650-V652 VanDerWaalsContact O-N 3.16Å; V652-T905 HydrophobicContact CB-CG2 3.84Å; V652-T905 HydrophobicContact CG1-CG2 4.08Å; V652-T905 HydrophobicContact CG2-CG2 4.12Å; V652-A908 HydrophobicContact CG1-CB 3.71Å
653	A	92.1	Very high	88.9	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	141.3	-175	0	0	0	0	0	112.4	L598 G599 F600 L611 V655 I904	L598-A653 PolarHBondContact O-N 3.28Å; G599-A653 CarbonylContact C-O 3.55Å; F600-A653 PolarHBondContact N-O 3Å; L611-A653 HydrophobicContact CD1-CB 4.29Å; L611-A653 HydrophobicContact CD2-CB 3.84Å; L611-A653 HydrophobicContact CG-CB 3.7Å; L611-A653 CarbonylContact O-C 3.6Å; L611-A653 VanDerWaalsContact O-CA 3.26Å; L611-A653 WeakPolarHBondContact O-CA 3.49Å; A653-V655 HydrophobicContact CB-CG2 4.46Å; A653-I904 HydrophobicContact CB-CG2 4.04Å
654	V	92.2	Very high	88.8	Confident	3 Å²	3	27.1 Å²	27.1	2%	0.018	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	138.2	158.8	-176.7	0	0	0	0	108.8	F600 F602 Q608 L611 V633 V634	F600-V654 HydrophobicContact CB-CG2 4.37Å; F600-V654 CarbonylContact O-C 3.55Å; F600-V654 VanDerWaalsContact O-CA 3.3Å; F600-V654 WeakPolarHBondContact O-CA 3.33Å; F602-V654 HydrophobicContact CB-CG1 3.88Å; Q608-V654 PolarHBondContact NE2-O 3Å; L611-V654 PolarHBondContact O-N 2.85Å; V633-V654 HydrophobicContact CG2-CG1 4.09Å; V633-V654 HydrophobicContact CG2-CG2 4.16Å; V634-V654 HydrophobicContact CG2-CG2 3.09Å
655	V	90.6	Very high	89.2	Confident	3 Å²	3	24.7 Å²	24.7	2%	0.018	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	146.9	-170.6	-136.8	0	0	0	0	112.7	F600 T601 F602 A653 V659 A901 I904	F600-V655 PolarHBondContact O-N 3.27Å; T601-V655 CarbonylContact C-O 3.55Å; T601-V655 VanDerWaalsContact CA-O 3.25Å; T601-V655 WeakPolarHBondContact CA-O 3.15Å; F602-V655 PolarHBondContact N-O 3.25Å; A653-V655 HydrophobicContact CB-CG2 4.46Å; V655-V659 HydrophobicContact CG1-CB 3.89Å; V655-V659 HydrophobicContact CG1-CG1 3.84Å; V655-A901 HydrophobicContact CG2-CB 3.93Å; V655-I904 HydrophobicContact CB-CD1 4.25Å; V655-I904 HydrophobicContact CG1-CD1 3.17Å; V655-I904 HydrophobicContact CG2-CD1 4.22Å
656	N	90.6	Very high	89.7	Confident	6 Å²	6	16.6 Å²	16.6	3%	0.032	9%	0.086	C	C	.	.			trans	-82.6	150.4	166.1	-170.6	-93.6	0	0	0	111	T658 V659 G660 N683 N706	N656-T658 VanDerWaalsContact C-N 3.29Å; N656-T658 PolarHBondContact O-N 2.59Å; N656-T658 PolarHBondContact OD1-N 3.13Å; N656-T658 VanDerWaalsContact OD1-N 3.13Å; N656-T658 PolarHBondContact OD1-OG1 3.46Å; N656-V659 HydrophobicContact CB-CG2 4.08Å; N656-V659 PolarHBondContact O-N 2.7Å; N656-V659 VanDerWaalsContact O-N 3.1Å; N656-G660 PolarHBondContact O-N 3.2Å; N656-N683 PolarHBondContact OD1-ND2 2.84Å; N656-N706 PolarHBondContact ND2-ND2 3.35Å
657	D	90.1	Very high	90.2	Very high	18 Å²	18	15.2 Å²	15.2	10%	0.096	8%	0.079	C	C	.	.	H	α-helix	trans	-58.7	-36.5	178.6	50.3	-2	0	0	0	113.1	T601 S603 K621 V659 G660 T661 I677	T601-D657 HydrophobicContact CG2-CB 4.17Å; S603-D657 WeakPolarHBondContact CB-OD2 3.47Å; S603-D657 VanDerWaalsContact OG-CB 3.32Å; S603-D657 WeakPolarHBondContact OG-CB 3.46Å; K621-D657 IonicContact NZ-OD2 2.88Å; K621-D657 PolarHBondContact NZ-OD2 2.85Å; D657-V659 VanDerWaalsContact C-N 3.32Å; D657-V659 PolarHBondContact O-N 2.89Å; D657-G660 PolarHBondContact O-N 3.33Å; D657-T661 WeakPolarHBondContact O-CB 3.26Å; D657-T661 PolarHBondContact O-N 3.45Å; D657-T661 PolarHBondContact O-OG1 2.93Å; D657-I677 HydrophobicContact CB-CG1 4.49Å
658	T	92.4	Very high	90.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.2	-41.7	175.5	62.9	0	0	0	0	111.4	N656 T661 M662 I677 N683 C685	N656-T658 VanDerWaalsContact C-N 3.29Å; N656-T658 PolarHBondContact O-N 2.59Å; N656-T658 PolarHBondContact OD1-N 3.13Å; N656-T658 VanDerWaalsContact OD1-N 3.13Å; N656-T658 PolarHBondContact OD1-OG1 3.46Å; T658-T661 PolarHBondContact O-N 3.34Å; T658-M662 PolarHBondContact O-N 3.37Å; T658-I677 HydrophobicContact CG2-CB 4.03Å; T658-I677 HydrophobicContact CG2-CG1 3.51Å; T658-N683 VanDerWaalsContact CG2-C 3.49Å; T658-N683 HydrophobicContact CG2-CB 3.53Å; T658-N683 WeakPolarHBondContact CG2-O 3.21Å; T658-C685 PolarHBondContact O-SG 3.35Å; T658-C685 WeakPolarHBondContact OG1-CB 3.26Å; T658-C685 PolarHBondContact OG1-SG 3.01Å
659	V	94.3	Very high	90.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-70.5	-43.9	-177.9	-177.4	0	0	0	0	110	T514 V516 V655 N656 D657 T661 M662 M663 C685 I904	T514-V659 HydrophobicContact CG2-CG2 3.77Å; V516-V659 HydrophobicContact CG2-CG1 4.11Å; V655-V659 HydrophobicContact CG1-CB 3.89Å; V655-V659 HydrophobicContact CG1-CG1 3.84Å; N656-V659 HydrophobicContact CB-CG2 4.08Å; N656-V659 PolarHBondContact O-N 2.7Å; N656-V659 VanDerWaalsContact O-N 3.1Å; D657-V659 VanDerWaalsContact C-N 3.32Å; D657-V659 PolarHBondContact O-N 2.89Å; V659-T661 VanDerWaalsContact C-N 3.3Å; V659-T661 PolarHBondContact O-N 3.37Å; V659-M662 WeakPolarHBondContact O-CB 3.5Å; V659-M662 PolarHBondContact O-N 3.06Å; V659-M663 HydrophobicContact CG1-CG 4.44Å; V659-M663 WeakPolarHBondContact O-CB 3.27Å; V659-M663 WeakPolarHBondContact O-CG 3.2Å; V659-M663 PolarHBondContact O-N 3.12Å; V659-C685 VanDerWaalsContact CA-SG 3.55Å; V659-C685 HydrophobicContact CG2-CB 3.95Å; V659-C685 PolarHBondContact N-SG 3.1Å; V659-I904 HydrophobicContact CG1-CD1 3.91Å
660	G	93.3	Very high	91.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-55.8	-46.6	171.5	0	0	0	0	0	111.6	N656 D657 M662 M663 T664 G896 G900	N656-G660 PolarHBondContact O-N 3.2Å; D657-G660 PolarHBondContact O-N 3.33Å; G660-M662 PolarHBondContact O-N 3.23Å; G660-M663 PolarHBondContact O-N 2.88Å; G660-M663 VanDerWaalsContact O-N 3.15Å; G660-T664 PolarHBondContact O-N 3.39Å; G660-T664 PolarHBondContact O-OG1 3.19Å; G660-G896 CarbonylContact C-O 3.46Å; G660-G900 WeakPolarHBondContact O-CA 3.37Å
661	T	93.7	Very high	91.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.6	-44.5	179.1	-59	0	0	0	0	112.2	D657 T658 V659 M663 T664 C665 I677 D861 G896	D657-T661 WeakPolarHBondContact O-CB 3.26Å; D657-T661 PolarHBondContact O-N 3.45Å; D657-T661 PolarHBondContact O-OG1 2.93Å; T658-T661 PolarHBondContact O-N 3.34Å; V659-T661 VanDerWaalsContact C-N 3.3Å; V659-T661 PolarHBondContact O-N 3.37Å; T661-M663 VanDerWaalsContact C-N 3.32Å; T661-M663 PolarHBondContact O-N 3.09Å; T661-T664 PolarHBondContact O-N 3.34Å; T661-C665 PolarHBondContact O-N 2.72Å; T661-C665 VanDerWaalsContact O-N 3.12Å; T661-I677 WeakPolarHBondContact OG1-CD1 3.4Å; T661-D861 HydrophobicContact CG2-CB 3.91Å; T661-G896 PolarHBondContact N-O 3.44Å
662	M	95.9	Very high	92	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-57.1	-45.8	173.6	-174.3	-174.9	76.7	0	0	111.5	T658 V659 G660 C665 G666 C672 M687 C704	T658-M662 PolarHBondContact O-N 3.37Å; V659-M662 WeakPolarHBondContact O-CB 3.5Å; V659-M662 PolarHBondContact O-N 3.06Å; G660-M662 PolarHBondContact O-N 3.23Å; M662-C665 PolarHBondContact O-N 3.5Å; M662-G666 PolarHBondContact O-N 3.48Å; M662-C672 PolarHBondContact O-SG 3.48Å; M662-C672 VanDerWaalsContact O-SG 3.41Å; M662-M687 HydrophobicContact CE-CG 4.23Å; M662-M687 HydrophobicContact CE-SD 3.82Å; M662-M687 HydrophobicContact SD-CG 4.36Å; M662-C704 HydrophobicContact CE-CB 3.94Å; M662-C704 WeakPolarHBondContact CE-SG 3.32Å
663	M	93.3	Very high	92.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-70.8	-36.5	-176.5	-67.4	-68.5	-72.2	0	0	112.2	V516 A518 T519 P520 V659 G660 T661 G666 F667 I904 V907	V516-M663 HydrophobicContact CG1-CE 4Å; V516-M663 HydrophobicContact CG1-SD 4.02Å; A518-M663 VanDerWaalsContact O-CE 3.32Å; A518-M663 WeakPolarHBondContact O-CE 3.43Å; T519-M663 HydrophobicContact CG2-SD 4.39Å; P520-M663 HydrophobicContact CG-CE 3.91Å; P520-M663 WeakPolarHBondContact CG-O 3.47Å; V659-M663 HydrophobicContact CG1-CG 4.44Å; V659-M663 WeakPolarHBondContact O-CB 3.27Å; V659-M663 WeakPolarHBondContact O-CG 3.2Å; V659-M663 PolarHBondContact O-N 3.12Å; G660-M663 PolarHBondContact O-N 2.88Å; G660-M663 VanDerWaalsContact O-N 3.15Å; T661-M663 VanDerWaalsContact C-N 3.32Å; T661-M663 PolarHBondContact O-N 3.09Å; M663-G666 PolarHBondContact O-N 2.86Å; M663-F667 PolarHBondContact O-N 3.17Å; M663-I904 HydrophobicContact CB-CD1 4.12Å; M663-I904 HydrophobicContact CB-CG1 3.94Å; M663-I904 HydrophobicContact CE-CG1 3.74Å; M663-I904 HydrophobicContact CG-CD1 3.68Å; M663-I904 HydrophobicContact CG-CG1 3.54Å; M663-I904 HydrophobicContact SD-CG1 4.4Å; M663-V907 HydrophobicContact CE-CG2 4.16Å
664	T	91.4	Very high	92.7	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.018	11%	0.111	C	C	.	.	H	α-helix	trans	-58.8	-49.2	172.3	-68.9	0	0	0	0	111.6	G660 T661 F667 S893 G896 K899 G900	G660-T664 PolarHBondContact O-N 3.39Å; G660-T664 PolarHBondContact O-OG1 3.19Å; T661-T664 PolarHBondContact O-N 3.34Å; T664-F667 WeakPolarHBondContact O-CB 3.3Å; T664-F667 PolarHBondContact O-N 2.92Å; T664-S893 VanDerWaalsContact CG2-OG 3.25Å; T664-S893 WeakPolarHBondContact CG2-OG 3.22Å; T664-G896 PolarHBondContact OG1-O 3.33Å; T664-K899 HydrophobicContact CG2-CB 4.1Å; T664-K899 HydrophobicContact CG2-CD 3.72Å; T664-K899 HydrophobicContact CG2-CG 4.05Å; T664-K899 WeakPolarHBondContact OG1-CB 3.5Å; T664-G900 WeakPolarHBondContact OG1-CA 3.39Å; T664-G900 PolarHBondContact OG1-N 2.64Å
665	C	92.1	Very high	92.9	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.007	11%	0.11	C	C	.	.	H	α-helix	trans	-71.4	-32.6	178.4	-69.3	0	0	0	0	111.9	T661 M662 F667 E668 D669 C672 G859 L891	T661-C665 PolarHBondContact O-N 2.72Å; T661-C665 VanDerWaalsContact O-N 3.12Å; M662-C665 PolarHBondContact O-N 3.5Å; C665-F667 VanDerWaalsContact C-N 3.25Å; C665-F667 PolarHBondContact O-N 3.47Å; C665-E668 PolarHBondContact O-N 3.06Å; C665-D669 PolarHBondContact O-N 2.88Å; C665-C672 HydrophobicContact CB-CB 4.29Å; C665-C672 WeakPolarHBondContact CB-SG 3.35Å; C665-G859 WeakPolarHBondContact SG-CA 3.45Å; C665-L891 HydrophobicContact CB-CD2 3.95Å; C665-L891 HydrophobicContact CB-CG 4.5Å
666	G	90.9	Very high	93.3	Very high	3 Å²	3	21 Å²	21	3%	0.031	11%	0.109	C	C	.	.	H	α-helix	trans	-62.7	-27.6	173.8	0	0	0	0	0	114.5	M662 M663 E668 D669	M662-G666 PolarHBondContact O-N 3.48Å; M663-G666 PolarHBondContact O-N 2.86Å; G666-E668 VanDerWaalsContact C-N 3.27Å; G666-E668 PolarHBondContact O-N 2.76Å; G666-D669 WeakPolarHBondContact CA-O 3.19Å
667	F	88.8	Confident	93.4	Very high	54 Å²	54	21.5 Å²	21.5	24%	0.237	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-26.6	172.1	-173.3	-98.3	0	0	0	113	P520 V545 V553 M663 T664 C665 L903	P520-F667 HydrophobicContact CB-CB 4.22Å; P520-F667 HydrophobicContact CB-CD2 3.92Å; P520-F667 HydrophobicContact CG-CB 4.17Å; V545-F667 HydrophobicContact CG1-CE2 4.42Å; V545-F667 HydrophobicContact CG1-CZ 4.47Å; V553-F667 HydrophobicContact CG2-CD1 4.16Å; V553-F667 HydrophobicContact CG2-CE1 3.54Å; V553-F667 HydrophobicContact CG2-CZ 3.87Å; M663-F667 PolarHBondContact O-N 3.17Å; T664-F667 WeakPolarHBondContact O-CB 3.3Å; T664-F667 PolarHBondContact O-N 2.92Å; C665-F667 VanDerWaalsContact C-N 3.25Å; C665-F667 PolarHBondContact O-N 3.47Å; F667-L903 HydrophobicContact CB-CD1 3.66Å; F667-L903 HydrophobicContact CB-CD2 4.42Å; F667-L903 HydrophobicContact CD2-CD1 4.36Å; F667-L903 HydrophobicContact CD2-CD2 3.55Å; F667-L903 HydrophobicContact CE2-CD2 3.97Å; F667-L903 HydrophobicContact CG-CD1 4.05Å; F667-L903 HydrophobicContact CG-CD2 4.03Å
668	E	87.3	Confident	93.7	Very high	116 Å²	116	20.7 Å²	20.7	54%	0.542	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-37.4	-179.3	-68.3	172.5	-157.9	0	0	112.2	C665 G666 L891 K899	C665-E668 PolarHBondContact O-N 3.06Å; G666-E668 VanDerWaalsContact C-N 3.27Å; G666-E668 PolarHBondContact O-N 2.76Å; E668-L891 HydrophobicContact CB-CD2 4.29Å; E668-K899 IonicContact OE1-NZ 2.62Å; E668-K899 PolarHBondContact OE1-NZ 2.93Å
669	D	90.6	Very high	93.6	Very high	40 Å²	40	20.9 Å²	20.9	21%	0.214	11%	0.11	C	C	.	.			trans	-126.9	111.5	176.6	-174.6	-1.6	0	0	0	111.3	C665 G666 H671 C672 T857	C665-D669 PolarHBondContact O-N 2.88Å; G666-D669 WeakPolarHBondContact CA-O 3.19Å; D669-H671 PolarHBondContact O-N 2.93Å; D669-H671 WeakPolarHBondContact OD1-CB 3.32Å; D669-H671 IonicContact OD1-CG 3.62Å; D669-H671 PolarHBondContact OD1-N 2.94Å; D669-H671 IonicContact OD1-ND1 2.65Å; D669-H671 PolarHBondContact OD1-ND1 2.78Å; D669-C672 VanDerWaalsContact O-CB 3.25Å; D669-C672 WeakPolarHBondContact O-CB 3.19Å; D669-C672 PolarHBondContact O-N 2.86Å; D669-T857 HydrophobicContact CB-CG2 4.42Å; D669-T857 VanDerWaalsContact OD2-CB 3.29Å; D669-T857 WeakPolarHBondContact OD2-CB 3.47Å; D669-T857 WeakPolarHBondContact OD2-CG2 3.5Å; D669-T857 PolarHBondContact OD2-OG1 3.4Å
670	P	90.6	Very high	93.2	Very high	104 Å²	104	24.9 Å²	24.9	68%	0.675	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-14.7	176.9	-24.6	34.2	0	0	0	115.3	C672	P670-C672 VanDerWaalsContact C-N 3.28Å
671	H	95.2	Very high	93.1	Very high	81 Å²	81	25.2 Å²	25.2	38%	0.375	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-3.4	174.5	-56.5	82.2	0	0	0	112.8	D669 E673 T857	D669-H671 PolarHBondContact O-N 2.93Å; D669-H671 WeakPolarHBondContact OD1-CB 3.32Å; D669-H671 IonicContact OD1-CG 3.62Å; D669-H671 PolarHBondContact OD1-N 2.94Å; D669-H671 IonicContact OD1-ND1 2.65Å; D669-H671 PolarHBondContact OD1-ND1 2.78Å; H671-E673 PolarHBondContact O-N 3.18Å; H671-T857 PolarHBondContact O-N 2.91Å
672	C	96.6	Very high	93.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	103.7	-178.7	-177.2	0	0	0	0	111.2	M662 C665 D669 P670 T857 G859	M662-C672 PolarHBondContact O-SG 3.48Å; M662-C672 VanDerWaalsContact O-SG 3.41Å; C665-C672 HydrophobicContact CB-CB 4.29Å; C665-C672 WeakPolarHBondContact CB-SG 3.35Å; D669-C672 VanDerWaalsContact O-CB 3.25Å; D669-C672 WeakPolarHBondContact O-CB 3.19Å; D669-C672 PolarHBondContact O-N 2.86Å; P670-C672 VanDerWaalsContact C-N 3.28Å; C672-T857 VanDerWaalsContact CA-O 3.32Å; C672-T857 WeakPolarHBondContact CA-O 3.3Å; C672-T857 HydrophobicContact CB-CG2 4Å; C672-G859 PolarHBondContact SG-N 2.87Å
673	E	97.6	Very high	93.1	Very high	14 Å²	14	25.8 Å²	25.8	7%	0.065	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	9.9	-177.3	-61.3	-172.5	110.7	0	0	112.5	H671 Y686 M687 R702 R849 V856 T857	H671-E673 PolarHBondContact O-N 3.18Å; E673-Y686 CarbonylContact O-C 3.53Å; E673-Y686 WeakPolarHBondContact O-CA 3.28Å; E673-Y686 WeakPolarHBondContact O-CB 3.24Å; E673-M687 HydrophobicContact CB-CB 4.25Å; E673-M687 HydrophobicContact CB-CG 4.13Å; E673-M687 HydrophobicContact CG-CG 4.45Å; E673-M687 PolarHBondContact O-N 3.24Å; E673-R702 IonicContact OE1-CZ 2.8Å; E673-R702 IonicContact OE1-NH1 2.9Å; E673-R702 PolarHBondContact OE1-NH1 3.19Å; E673-R849 IonicContact OE1-CZ 2.81Å; E673-R849 IonicContact OE1-NH1 3.63Å; E673-R849 IonicContact OE1-NH2 2.72Å; E673-R849 PolarHBondContact OE1-NH2 2.9Å; E673-R849 IonicContact OE2-CZ 2.82Å; E673-R849 VanDerWaalsContact OE2-CZ 3.23Å; E673-R849 IonicContact OE2-NH1 3.23Å; E673-R849 PolarHBondContact OE2-NH1 3.01Å; E673-R849 IonicContact OE2-NH2 3.77Å; E673-R849 PolarHBondContact OE2-NH2 3.26Å; E673-V856 HydrophobicContact CB-CG2 4.2Å; E673-T857 PolarHBondContact N-O 3.07Å
674	V	98.6	Very high	93.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	136.1	179.9	-172.4	0	0	0	0	109.3	C685 M838 V841 I845 V856 V858 G859	V674-C685 CarbonylContact C-O 3.45Å; V674-C685 WeakPolarHBondContact CA-O 2.98Å; V674-C685 WeakPolarHBondContact CG1-O 3.49Å; V674-M838 HydrophobicContact CG1-CE 3.83Å; V674-M838 HydrophobicContact CG1-SD 3.72Å; V674-V841 HydrophobicContact CG1-CG1 4.09Å; V674-V841 HydrophobicContact CG2-CG1 4.21Å; V674-I845 HydrophobicContact CG2-CD1 3.61Å; V674-V856 HydrophobicContact CG2-CG2 4.03Å; V674-V858 HydrophobicContact CB-CB 4.34Å; V674-V858 HydrophobicContact CB-CG1 4.19Å; V674-V858 HydrophobicContact CB-CG2 3.98Å; V674-V858 HydrophobicContact CG1-CG1 3.98Å; V674-V858 HydrophobicContact CG1-CG2 4.18Å; V674-V858 HydrophobicContact CG2-CG2 4.5Å; V674-V858 CarbonylContact O-C 3.5Å; V674-V858 WeakPolarHBondContact O-CA 3.47Å; V674-G859 PolarHBondContact O-N 2.88Å
675	G	97.7	Very high	93.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	140.8	170.8	0	0	0	0	0	110.8	A684 C685 G859	G675-A684 CarbonylContact O-C 3.53Å; G675-A684 WeakPolarHBondContact O-CA 3.35Å; G675-A684 WeakPolarHBondContact O-CB 3.28Å; G675-C685 PolarHBondContact N-O 3.37Å; G675-C685 PolarHBondContact O-N 3.19Å; G675-G859 CarbonylContact C-O 3.55Å; G675-G859 WeakPolarHBondContact CA-O 3.33Å
676	L	98	Very high	94	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	131.5	179.4	175.7	63.7	0	0	0	110.5	V678 A684 W709 M838 V858 G859 V860 D861 M875	L676-V678 HydrophobicContact CD1-CG2 3.89Å; L676-V678 HydrophobicContact CD2-CG2 4.13Å; L676-V678 HydrophobicContact CG-CG2 3.93Å; L676-A684 HydrophobicContact CD1-CB 4.37Å; L676-W709 HydrophobicContact CD1-CH2 3.38Å; L676-W709 HydrophobicContact CD1-CZ2 3.33Å; L676-M838 HydrophobicContact CB-CE 3.91Å; L676-M838 HydrophobicContact CD1-CE 3.92Å; L676-M838 HydrophobicContact CD2-CE 4.05Å; L676-M838 HydrophobicContact CG-CE 4.17Å; L676-V858 HydrophobicContact CB-CG1 3.75Å; L676-G859 PolarHBondContact N-O 3.42Å; L676-V860 HydrophobicContact CB-CG1 4.21Å; L676-V860 HydrophobicContact CB-CG2 4.2Å; L676-V860 HydrophobicContact CD2-CG1 3.94Å; L676-V860 HydrophobicContact CD2-CG2 4.14Å; L676-V860 HydrophobicContact CG-CG1 4.05Å; L676-V860 VanDerWaalsContact O-CA 3.32Å; L676-V860 WeakPolarHBondContact O-CA 3.28Å; L676-D861 PolarHBondContact O-N 3.29Å; L676-M875 HydrophobicContact CD2-CE 3.7Å
677	I	94.3	Very high	94.3	Very high	18 Å²	18	25.5 Å²	25.5	9%	0.092	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128.7	169.7	-62.1	-64.3	0	0	0	109.3	D657 T658 T661 S682 N683 D861	D657-I677 HydrophobicContact CB-CG1 4.49Å; T658-I677 HydrophobicContact CG2-CB 4.03Å; T658-I677 HydrophobicContact CG2-CG1 3.51Å; T661-I677 WeakPolarHBondContact OG1-CD1 3.4Å; I677-S682 WeakPolarHBondContact O-CA 3.35Å; I677-S682 PolarHBondContact O-OG 3.08Å; I677-S682 VanDerWaalsContact O-OG 3.07Å; I677-N683 PolarHBondContact N-O 2.69Å; I677-N683 PolarHBondContact O-N 2.94Å; I677-N683 VanDerWaalsContact O-N 3.13Å; I677-D861 WeakPolarHBondContact CA-O 3.35Å; I677-D861 HydrophobicContact CD1-CB 3.67Å
678	V	95.6	Very high	94.8	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	84.6	170.7	-173.3	0	0	0	0	109.6	L676 I745 D861 G862 L864 Y865 F871	L676-V678 HydrophobicContact CD1-CG2 3.89Å; L676-V678 HydrophobicContact CD2-CG2 4.13Å; L676-V678 HydrophobicContact CG-CG2 3.93Å; V678-I745 HydrophobicContact CG1-CG2 4.24Å; V678-D861 PolarHBondContact N-O 2.95Å; V678-G862 CarbonylContact O-C 3.58Å; V678-G862 VanDerWaalsContact O-CA 3.25Å; V678-G862 WeakPolarHBondContact O-CA 3.42Å; V678-L864 HydrophobicContact CG1-CB 4.25Å; V678-L864 HydrophobicContact CG1-CD2 3.87Å; V678-L864 HydrophobicContact CG1-CG 4.24Å; V678-L864 PolarHBondContact O-N 2.83Å; V678-Y865 PolarHBondContact O-N 3.2Å; V678-Y865 VanDerWaalsContact O-N 3.14Å; V678-F871 HydrophobicContact CB-CE1 4.46Å; V678-F871 HydrophobicContact CG1-CE1 3.75Å; V678-F871 HydrophobicContact CG1-CE2 4.38Å; V678-F871 HydrophobicContact CG1-CZ 3.65Å; V678-F871 HydrophobicContact CG2-CE1 4.37Å
679	G	90.6	Very high	95.3	Very high	5 Å²	5	18.9 Å²	18.9	5%	0.052	11%	0.108	C	C	.	.	S	Bend	trans	-135.3	-123.5	-178.6	0	0	0	0	0	110.8	G681 G747	G679-G681 VanDerWaalsContact C-N 3.32Å; G679-G681 CarbonylContact C-O 3.5Å; G679-G681 PolarHBondContact N-O 3.1Å; G679-G747 WeakPolarHBondContact O-CA 3.39Å; G679-G747 PolarHBondContact O-N 3.45Å
680	T	86.2	Confident	95.6	Very high	84 Å²	84	17.8 Å²	17.8	52%	0.515	10%	0.102	S	C	.	.	S	Bend	trans	-59.6	-44.2	171.7	-51.5	0	0	0	0	111.2	S746 M748	T680-S746 VanDerWaalsContact O-CB 3.23Å; T680-S746 WeakPolarHBondContact O-CB 3.44Å; T680-S746 PolarHBondContact O-OG 2.91Å; T680-M748 HydrophobicContact CG2-CB 4.03Å; T680-M748 HydrophobicContact CG2-SD 4.18Å; T680-M748 WeakPolarHBondContact O-CB 3.21Å; T680-M748 PolarHBondContact O-N 3.33Å
681	G	90	Very high	95.8	Very high	6 Å²	6	19.6 Å²	19.6	6%	0.062	10%	0.095	C	C	.	.	S	Bend	trans	-110.3	-177.4	168.9	0	0	0	0	0	111.6	G679 E742 S746	G679-G681 VanDerWaalsContact C-N 3.32Å; G679-G681 CarbonylContact C-O 3.5Å; G679-G681 PolarHBondContact N-O 3.1Å; G681-E742 WeakPolarHBondContact CA-OE2 3.41Å; G681-S746 VanDerWaalsContact C-CB 3.46Å
682	S	94.2	Very high	95.9	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.014	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	129.2	169.5	-177.3	0	0	0	0	111.3	I677 W709 E742	I677-S682 WeakPolarHBondContact O-CA 3.35Å; I677-S682 PolarHBondContact O-OG 3.08Å; I677-S682 VanDerWaalsContact O-OG 3.07Å; S682-W709 VanDerWaalsContact O-CD1 3.23Å; S682-W709 PolarHBondContact O-NE1 3.05Å; S682-W709 VanDerWaalsContact O-NE1 3.11Å; S682-W709 PolarHBondContact OG-NE1 2.86Å; S682-E742 PolarHBondContact N-OE2 3.12Å
683	N	95.9	Very high	96	Very high	11 Å²	11	17.9 Å²	17.9	6%	0.059	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	163.2	178.1	-166.6	27.3	0	0	0	111.3	N656 T658 I677 N706 E708 W709	N656-N683 PolarHBondContact OD1-ND2 2.84Å; T658-N683 VanDerWaalsContact CG2-C 3.49Å; T658-N683 HydrophobicContact CG2-CB 3.53Å; T658-N683 WeakPolarHBondContact CG2-O 3.21Å; I677-N683 PolarHBondContact N-O 2.69Å; I677-N683 PolarHBondContact O-N 2.94Å; I677-N683 VanDerWaalsContact O-N 3.13Å; N683-N706 PolarHBondContact ND2-OD1 2.64Å; N683-E708 WeakPolarHBondContact OD1-CA 3.16Å; N683-E708 PolarHBondContact OD1-N 3.4Å; N683-E708 VanDerWaalsContact OD1-N 3.11Å; N683-W709 PolarHBondContact OD1-N 3.32Å; N683-W709 VanDerWaalsContact OD1-N 3.12Å
684	A	98.3	Very high	95.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	156.4	172.6	0	0	0	0	0	112.1	G675 L676 M707 W709 M838	G675-A684 CarbonylContact O-C 3.53Å; G675-A684 WeakPolarHBondContact O-CA 3.35Å; G675-A684 WeakPolarHBondContact O-CB 3.28Å; L676-A684 HydrophobicContact CD1-CB 4.37Å; A684-M707 HydrophobicContact CB-SD 3.84Å; A684-M707 VanDerWaalsContact O-CB 3.24Å; A684-M707 WeakPolarHBondContact O-CB 3.32Å; A684-M707 VanDerWaalsContact O-CG 3.28Å; A684-M707 WeakPolarHBondContact O-CG 3.37Å; A684-M707 PolarHBondContact O-N 3.38Å; A684-W709 HydrophobicContact CB-CD2 3.78Å; A684-W709 HydrophobicContact CB-CE3 3.51Å; A684-W709 HydrophobicContact CB-CH2 3.74Å; A684-W709 HydrophobicContact CB-CZ2 3.98Å; A684-W709 HydrophobicContact CB-CZ3 3.48Å; A684-W709 VanDerWaalsContact CB-CZ3 3.48Å; A684-M838 HydrophobicContact CB-CE 4.4Å
685	C	98.1	Very high	95.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	161.2	169.9	68	0	0	0	0	110.5	T658 V659 V674 G675 V705	T658-C685 PolarHBondContact O-SG 3.35Å; T658-C685 WeakPolarHBondContact OG1-CB 3.26Å; T658-C685 PolarHBondContact OG1-SG 3.01Å; V659-C685 VanDerWaalsContact CA-SG 3.55Å; V659-C685 HydrophobicContact CG2-CB 3.95Å; V659-C685 PolarHBondContact N-SG 3.1Å; V674-C685 CarbonylContact C-O 3.45Å; V674-C685 WeakPolarHBondContact CA-O 2.98Å; V674-C685 WeakPolarHBondContact CG1-O 3.49Å; G675-C685 PolarHBondContact N-O 3.37Å; G675-C685 PolarHBondContact O-N 3.19Å; C685-V705 WeakPolarHBondContact CA-O 3.11Å; C685-V705 WeakPolarHBondContact CB-O 3.44Å
686	Y	98.6	Very high	95.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	162.9	174.3	70.1	-78.7	0	0	0	112.5	M495 M511 E673 E688 C704 V705 M707 V841 I845	M495-Y686 HydrophobicContact CE-CD1 4.37Å; M495-Y686 HydrophobicContact CE-CE1 3.48Å; M495-Y686 VanDerWaalsContact CE-CE1 3.48Å; M511-Y686 HydrophobicContact CE-CE1 3.48Å; M511-Y686 VanDerWaalsContact CE-CE1 3.48Å; M511-Y686 WeakPolarHBondContact CE-OH 3.44Å; E673-Y686 CarbonylContact O-C 3.53Å; E673-Y686 WeakPolarHBondContact O-CA 3.28Å; E673-Y686 WeakPolarHBondContact O-CB 3.24Å; Y686-E688 HydrophobicContact CD2-CB 4.41Å; Y686-E688 HydrophobicContact CE2-CB 3.73Å; Y686-E688 HydrophobicContact CE2-CG 4.26Å; Y686-E688 WeakPolarHBondContact CE2-OE2 3.46Å; Y686-E688 PolarHBondContact O-N 3.25Å; Y686-E688 PolarHBondContact OH-OE2 3.46Å; Y686-C704 CarbonylContact O-C 3.59Å; Y686-C704 WeakPolarHBondContact O-CA 3.45Å; Y686-V705 PolarHBondContact N-O 2.98Å; Y686-V705 PolarHBondContact O-N 3.35Å; Y686-M707 HydrophobicContact CD1-CG 4.17Å; Y686-M707 HydrophobicContact CD1-SD 4.05Å; Y686-M707 HydrophobicContact CE1-CG 4.14Å; Y686-M707 HydrophobicContact CE1-SD 4.23Å; Y686-V841 HydrophobicContact CD1-CG1 3.81Å; Y686-V841 HydrophobicContact CD2-CG1 4.44Å; Y686-V841 HydrophobicContact CG-CG1 3.75Å; Y686-I845 HydrophobicContact CD2-CD1 3.9Å; Y686-I845 HydrophobicContact CD2-CG1 3.68Å; Y686-I845 HydrophobicContact CE2-CG1 4.24Å; Y686-I845 HydrophobicContact CG-CD1 4.26Å; Y686-I845 HydrophobicContact CG-CG1 4.47Å
687	M	98.1	Very high	95.1	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	109.7	172.5	-64.6	-59.9	-60.7	0	0	111.2	T519 M662 E673 R702 C704	T519-M687 HydrophobicContact CG2-CG 4.25Å; T519-M687 HydrophobicContact CG2-SD 4.35Å; M662-M687 HydrophobicContact CE-CG 4.23Å; M662-M687 HydrophobicContact CE-SD 3.82Å; M662-M687 HydrophobicContact SD-CG 4.36Å; E673-M687 HydrophobicContact CB-CB 4.25Å; E673-M687 HydrophobicContact CB-CG 4.13Å; E673-M687 HydrophobicContact CG-CG 4.45Å; E673-M687 PolarHBondContact O-N 3.24Å; M687-R702 HydrophobicContact CE-CB 3.74Å; M687-C704 HydrophobicContact SD-CB 3.69Å
688	E	98.3	Very high	94.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	153.2	175.6	-176.1	54.4	-92.7	0	0	111.1	L499 Y686 N692 V693 R702 M703 V705 K844 N848	L499-E688 HydrophobicContact CD1-CG 4.26Å; L499-E688 HydrophobicContact CD2-CG 4.23Å; Y686-E688 HydrophobicContact CD2-CB 4.41Å; Y686-E688 HydrophobicContact CE2-CB 3.73Å; Y686-E688 HydrophobicContact CE2-CG 4.26Å; Y686-E688 WeakPolarHBondContact CE2-OE2 3.46Å; Y686-E688 PolarHBondContact O-N 3.25Å; Y686-E688 PolarHBondContact OH-OE2 3.46Å; E688-N692 HydrophobicContact CG-CB 4.05Å; E688-N692 PolarHBondContact OE1-ND2 3.3Å; E688-V693 HydrophobicContact CB-CG2 4.18Å; E688-V693 HydrophobicContact CG-CG2 3.74Å; E688-R702 CarbonylContact O-C 3.53Å; E688-R702 WeakPolarHBondContact O-CA 3.42Å; E688-R702 VanDerWaalsContact O-CB 3.32Å; E688-R702 WeakPolarHBondContact O-CB 3.26Å; E688-M703 PolarHBondContact N-O 3.11Å; E688-M703 PolarHBondContact O-N 3.1Å; E688-V705 HydrophobicContact CB-CB 4.45Å; E688-V705 HydrophobicContact CB-CG2 3.66Å; E688-V705 HydrophobicContact CG-CG2 4.31Å; E688-K844 IonicContact OE1-NZ 3.58Å; E688-K844 WeakPolarHBondContact OE2-CE 3.44Å; E688-K844 IonicContact OE2-NZ 2.63Å; E688-K844 PolarHBondContact OE2-NZ 2.96Å; E688-N848 PolarHBondContact OE1-ND2 3.29Å; E688-N848 PolarHBondContact OE2-ND2 3.21Å
689	E	97.9	Very high	94.6	Very high	31 Å²	31	44.1 Å²	44.1	15%	0.145	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	131.8	174.8	-53.5	-61.7	146	0	0	109.7	R691 N692 N848 R849	E689-R691 HydrophobicContact CB-CG 4Å; E689-R691 PolarHBondContact O-N 3.41Å; E689-R691 VanDerWaalsContact O-N 3.15Å; E689-N692 WeakPolarHBondContact O-CB 3.35Å; E689-N692 PolarHBondContact O-N 3.48Å; E689-N848 HydrophobicContact CG-CB 4.18Å; E689-R849 IonicContact OE1-NE 2.68Å; E689-R849 PolarHBondContact OE1-NE 3.22Å
690	M	96.7	Very high	94.7	Very high	16 Å²	16	52.7 Å²	52.7	8%	0.079	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-55.8	-37	-175.5	-83.5	-64.8	-64.1	0	0	113.2	N692 V693 V696 G698 E700 G701 M703	M690-N692 PolarHBondContact O-N 2.94Å; M690-V693 PolarHBondContact O-N 3.41Å; M690-V696 HydrophobicContact CE-CB 4.27Å; M690-V696 HydrophobicContact CE-CG1 4.02Å; M690-G698 WeakPolarHBondContact CE-O 3.43Å; M690-E700 WeakPolarHBondContact CG-O 3.26Å; M690-G701 WeakPolarHBondContact CB-O 3.4Å; M690-G701 PolarHBondContact N-O 2.95Å; M690-M703 HydrophobicContact CE-CE 4.27Å; M690-M703 HydrophobicContact SD-CB 3.59Å; M690-M703 VanDerWaalsContact SD-CB 3.59Å; M690-M703 HydrophobicContact SD-CE 3.75Å; M690-M703 HydrophobicContact SD-SD 4.46Å
691	R	96.4	Very high	95	Very high	142 Å²	142	51.1 Å²	51.1	54%	0.536	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-54.6	-20.3	173.4	67.5	175.9	175.6	-133.3	0.1	115.4	E689 E699 N848	E689-R691 HydrophobicContact CB-CG 4Å; E689-R691 PolarHBondContact O-N 3.41Å; E689-R691 VanDerWaalsContact O-N 3.15Å; R691-E699 HydrophobicContact CB-CB 4.4Å; R691-E699 PolarHBondContact N-O 3.4Å; R691-N848 PolarHBondContact NH2-O 3.15Å
692	N	97.4	Very high	95.3	Very high	44 Å²	44	54.6 Å²	54.6	24%	0.235	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-97	-12.5	178.5	-64.3	-27.4	0	0	0	112.4	L499 E688 E689 M690 E694 N848	L499-N692 WeakPolarHBondContact CB-O 3.49Å; E688-N692 HydrophobicContact CG-CB 4.05Å; E688-N692 PolarHBondContact OE1-ND2 3.3Å; E689-N692 WeakPolarHBondContact O-CB 3.35Å; E689-N692 PolarHBondContact O-N 3.48Å; M690-N692 PolarHBondContact O-N 2.94Å; N692-E694 PolarHBondContact O-N 3.44Å; N692-N848 PolarHBondContact ND2-OD1 2.76Å
693	V	96.7	Very high	95.4	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.006	28%	0.277	C	S	.	.			trans	-94.6	73.4	-176.9	-170.7	0	0	0	0	109.2	L499 P513 E688 M690 L695 V696 V705	L499-V693 HydrophobicContact CD2-CG2 4.26Å; P513-V693 HydrophobicContact CB-CG1 4.47Å; P513-V693 HydrophobicContact CG-CG1 4.03Å; E688-V693 HydrophobicContact CB-CG2 4.18Å; E688-V693 HydrophobicContact CG-CG2 3.74Å; M690-V693 PolarHBondContact O-N 3.41Å; V693-L695 PolarHBondContact O-N 3.31Å; V693-V696 HydrophobicContact CG1-CB 4.41Å; V693-V696 HydrophobicContact CG1-CG2 4.13Å; V693-V696 PolarHBondContact O-N 3.09Å; V693-V696 VanDerWaalsContact O-N 3.12Å; V693-V705 HydrophobicContact CG2-CG2 4.17Å
694	E	96.6	Very high	95.4	Very high	101 Å²	101	54.1 Å²	54.1	47%	0.472	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-9.6	-174.1	-60.3	-179.9	-176.3	0	0	114.5	L499 S500 K501 N692	L499-E694 PolarHBondContact O-N 3.34Å; S500-E694 VanDerWaalsContact CA-OE2 3.31Å; S500-E694 WeakPolarHBondContact CA-OE2 3.34Å; S500-E694 PolarHBondContact OG-OE2 3.06Å; K501-E694 HydrophobicContact CB-CB 3.89Å; K501-E694 PolarHBondContact N-OE2 3.06Å; N692-E694 PolarHBondContact O-N 3.44Å
695	L	93.3	Very high	95.4	Very high	56 Å²	56	54.1 Å²	54.1	29%	0.293	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-21	178.3	-57.6	174	0	0	0	113.2	H504 P513 V693	H504-L695 HydrophobicContact CB-CD2 3.83Å; H504-L695 VanDerWaalsContact CE1-CD1 3.46Å; H504-L695 WeakPolarHBondContact CE1-CD1 3.36Å; H504-L695 VanDerWaalsContact ND1-CD1 3.34Å; H504-L695 WeakPolarHBondContact ND1-CD1 3.19Å; P513-L695 HydrophobicContact CG-CB 4.08Å; P513-L695 HydrophobicContact CG-CD1 4.17Å; V693-L695 PolarHBondContact O-N 3.31Å
696	V	93.5	Very high	95.4	Very high	23 Å²	23	54.4 Å²	54.4	14%	0.139	28%	0.276	C	S	.	.	S	Bend	trans	-118	136.8	-179	-175.5	0	0	0	0	108.8	P513 Y515 M690 V693 M703	P513-V696 HydrophobicContact CB-CG2 3.61Å; P513-V696 HydrophobicContact CG-CG2 3.67Å; Y515-V696 HydrophobicContact CE1-CG1 4.3Å; M690-V696 HydrophobicContact CE-CB 4.27Å; M690-V696 HydrophobicContact CE-CG1 4.02Å; V693-V696 HydrophobicContact CG1-CB 4.41Å; V693-V696 HydrophobicContact CG1-CG2 4.13Å; V693-V696 PolarHBondContact O-N 3.09Å; V693-V696 VanDerWaalsContact O-N 3.12Å; V696-M703 HydrophobicContact CG1-CE 4.07Å; V696-M703 HydrophobicContact CG2-CE 4.32Å; V696-M703 HydrophobicContact CG2-SD 4.24Å
697	E	90.2	Very high	95.3	Very high	199 Å²	199	54.4 Å²	54.4	93%	0.93	28%	0.276	S	S	*	.	S	Bend	trans	-69.9	134.8	176.3	-65.5	-171	171.2	0	0	111.2
698	G	89.4	Confident	95.2	Very high	46 Å²	46	55.3 Å²	55.3	47%	0.474	28%	0.28	S	S	.	.			trans	118.6	139	178.2	0	0	0	0	0	112.8	M690	M690-G698 WeakPolarHBondContact CE-O 3.43Å
699	E	90.3	Very high	95.1	Very high	159 Å²	159	55.3 Å²	55.3	74%	0.743	28%	0.28	S	S	*	.			trans	-108.8	-12.7	-179	-64.3	-173.9	178.7	0	0	113.2	R691	R691-E699 HydrophobicContact CB-CB 4.4Å; R691-E699 PolarHBondContact N-O 3.4Å
700	E	92.1	Very high	95	Very high	185 Å²	185	53.9 Å²	53.9	86%	0.864	27%	0.274	S	S	*	.	S	Bend	trans	-90.5	139.4	-175.2	-66.2	-167	172.1	0	0	112.4	M690	M690-E700 WeakPolarHBondContact CG-O 3.26Å
701	G	93.8	Very high	95	Very high	51 Å²	51	53.6 Å²	53.6	53%	0.526	27%	0.274	S	S	.	.	S	Bend	trans	86.3	-158.4	177.1	0	0	0	0	0	113.4	M690	M690-G701 WeakPolarHBondContact CB-O 3.4Å; M690-G701 PolarHBondContact N-O 2.95Å
702	R	95.2	Very high	95.1	Very high	78 Å²	78	46.8 Å²	46.8	29%	0.294	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	157.4	-175	-63.2	-179.4	-64.1	173.9	7.9	109.6	C517 E673 M687 E688	C517-R702 CarbonylContact C-O 3.5Å; C517-R702 WeakPolarHBondContact CA-O 3.14Å; C517-R702 WeakPolarHBondContact CB-O 3.33Å; E673-R702 IonicContact OE1-CZ 2.8Å; E673-R702 IonicContact OE1-NH1 2.9Å; E673-R702 PolarHBondContact OE1-NH1 3.19Å; M687-R702 HydrophobicContact CE-CB 3.74Å; E688-R702 CarbonylContact O-C 3.53Å; E688-R702 WeakPolarHBondContact O-CA 3.42Å; E688-R702 VanDerWaalsContact O-CB 3.32Å; E688-R702 WeakPolarHBondContact O-CB 3.26Å
703	M	96.1	Very high	95.1	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.015	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	136.7	174.2	-177.7	174.9	-65.7	0	0	109.9	P513 Y515 E688 M690 V696 V705	P513-M703 HydrophobicContact CB-SD 3.56Å; P513-M703 VanDerWaalsContact CB-SD 3.56Å; Y515-M703 HydrophobicContact CD1-CE 4.2Å; Y515-M703 HydrophobicContact CG-CE 4.46Å; E688-M703 PolarHBondContact N-O 3.11Å; E688-M703 PolarHBondContact O-N 3.1Å; M690-M703 HydrophobicContact CE-CE 4.27Å; M690-M703 HydrophobicContact SD-CB 3.59Å; M690-M703 VanDerWaalsContact SD-CB 3.59Å; M690-M703 HydrophobicContact SD-CE 3.75Å; M690-M703 HydrophobicContact SD-SD 4.46Å; V696-M703 HydrophobicContact CG1-CE 4.07Å; V696-M703 HydrophobicContact CG2-CE 4.32Å; V696-M703 HydrophobicContact CG2-SD 4.24Å; M703-V705 PolarHBondContact O-N 3.21Å
704	C	97.4	Very high	95.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	130.1	169.2	-175	0	0	0	0	109.9	T514 V516 M662 Y686 M687	T514-C704 WeakPolarHBondContact CB-O 3Å; T514-C704 VanDerWaalsContact CG2-O 3.25Å; T514-C704 WeakPolarHBondContact CG2-O 3.28Å; T514-C704 PolarHBondContact N-O 3.11Å; T514-C704 WeakPolarHBondContact OG1-CB 3.3Å; T514-C704 PolarHBondContact OG1-O 3.36Å; V516-C704 HydrophobicContact CB-CB 4.08Å; V516-C704 PolarHBondContact O-N 3.35Å; M662-C704 HydrophobicContact CE-CB 3.94Å; M662-C704 WeakPolarHBondContact CE-SG 3.32Å; Y686-C704 CarbonylContact O-C 3.59Å; Y686-C704 WeakPolarHBondContact O-CA 3.45Å; M687-C704 HydrophobicContact SD-CB 3.69Å
705	V	97.7	Very high	95.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.2	178.7	173.8	0	0	0	0	108.9	L499 M511 C685 Y686 E688 V693 M703	L499-V705 HydrophobicContact CD2-CG1 4.39Å; L499-V705 HydrophobicContact CD2-CG2 4.26Å; M511-V705 VanDerWaalsContact CA-CG1 3.45Å; M511-V705 HydrophobicContact CB-CG1 3.74Å; M511-V705 HydrophobicContact CE-CG1 3.72Å; M511-V705 HydrophobicContact SD-CG1 4.37Å; C685-V705 WeakPolarHBondContact CA-O 3.11Å; C685-V705 WeakPolarHBondContact CB-O 3.44Å; Y686-V705 PolarHBondContact N-O 2.98Å; Y686-V705 PolarHBondContact O-N 3.35Å; E688-V705 HydrophobicContact CB-CB 4.45Å; E688-V705 HydrophobicContact CB-CG2 3.66Å; E688-V705 HydrophobicContact CG-CG2 4.31Å; V693-V705 HydrophobicContact CG2-CG2 4.17Å; M703-V705 PolarHBondContact O-N 3.21Å
706	N	96.9	Very high	95.3	Very high	7 Å²	7	43 Å²	43	4%	0.037	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	114.6	168.9	173.2	12.9	0	0	0	109	M511 L512 T514 N656 N683 E708	M511-N706 CarbonylContact C-O 3.59Å; M511-N706 WeakPolarHBondContact CA-O 3.39Å; L512-N706 HydrophobicContact CB-CB 4.37Å; L512-N706 PolarHBondContact N-O 3.19Å; L512-N706 PolarHBondContact O-N 2.85Å; T514-N706 HydrophobicContact CG2-CB 3.83Å; N656-N706 PolarHBondContact ND2-ND2 3.35Å; N683-N706 PolarHBondContact ND2-OD1 2.64Å; N706-E708 PolarHBondContact ND2-OE1 3.31Å; N706-E708 PolarHBondContact O-N 3.46Å; N706-E708 PolarHBondContact OD1-N 3.03Å; N706-E708 PolarHBondContact OD1-OE1 2.83Å
707	M	97.8	Very high	95.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.238	C	C	.	.			trans	-70.2	-33.2	-172.3	-61.4	176.3	63.3	0	0	112.9	M491 M495 V509 K510 M511 A684 Y686 W709 V841	M491-M707 HydrophobicContact SD-CE 4.12Å; M495-M707 HydrophobicContact CE-CE 3.99Å; M495-M707 HydrophobicContact CG-CE 3.83Å; M495-M707 HydrophobicContact SD-CE 3.93Å; V509-M707 HydrophobicContact CG1-CB 4.29Å; V509-M707 VanDerWaalsContact CG1-O 3.3Å; V509-M707 WeakPolarHBondContact CG1-O 3.32Å; K510-M707 PolarHBondContact N-O 3.15Å; K510-M707 VanDerWaalsContact N-O 3.15Å; M511-M707 HydrophobicContact CE-CG 4.23Å; M511-M707 PolarHBondContact N-O 2.85Å; M511-M707 HydrophobicContact SD-CB 3.97Å; M511-M707 HydrophobicContact SD-CE 4.4Å; M511-M707 HydrophobicContact SD-CG 3.8Å; A684-M707 HydrophobicContact CB-SD 3.84Å; A684-M707 VanDerWaalsContact O-CB 3.24Å; A684-M707 WeakPolarHBondContact O-CB 3.32Å; A684-M707 VanDerWaalsContact O-CG 3.28Å; A684-M707 WeakPolarHBondContact O-CG 3.37Å; A684-M707 PolarHBondContact O-N 3.38Å; Y686-M707 HydrophobicContact CD1-CG 4.17Å; Y686-M707 HydrophobicContact CD1-SD 4.05Å; Y686-M707 HydrophobicContact CE1-CG 4.14Å; Y686-M707 HydrophobicContact CE1-SD 4.23Å; M707-W709 HydrophobicContact CB-CB 3.96Å; M707-W709 HydrophobicContact CE-CB 4.15Å; M707-W709 HydrophobicContact CE-CE3 4.03Å; M707-W709 PolarHBondContact O-N 3.33Å; M707-W709 HydrophobicContact SD-CE3 4.15Å; M707-V841 HydrophobicContact CE-CG2 3.7Å; M707-V841 HydrophobicContact SD-CG2 3.52Å; M707-V841 VanDerWaalsContact SD-CG2 3.52Å
708	E	95.2	Very high	95.8	Very high	19 Å²	19	33.7 Å²	33.7	9%	0.089	19%	0.194	C	C	.	.			trans	48	47	-162.1	-68	-61.5	151	0	0	110.9	K510 L512 P605 N683 N706 G710 A711	K510-E708 HydrophobicContact CB-CB 4.49Å; L512-E708 HydrophobicContact CD1-CG 3.6Å; L512-E708 HydrophobicContact CG-CG 4.5Å; P605-E708 HydrophobicContact CB-CG 4.42Å; N683-E708 WeakPolarHBondContact OD1-CA 3.16Å; N683-E708 PolarHBondContact OD1-N 3.4Å; N683-E708 VanDerWaalsContact OD1-N 3.11Å; N706-E708 PolarHBondContact ND2-OE1 3.31Å; N706-E708 PolarHBondContact O-N 3.46Å; N706-E708 PolarHBondContact OD1-N 3.03Å; N706-E708 PolarHBondContact OD1-OE1 2.83Å; E708-G710 PolarHBondContact O-N 2.95Å; E708-A711 PolarHBondContact O-N 2.95Å
709	W	97.5	Very high	96.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-67.5	-9.8	-168.2	77.5	-2	0	0	0	113.7	M491 L676 S682 N683 A684 M707 A711 F712 F741 M838	M491-W709 HydrophobicContact CE-CB 4.21Å; M491-W709 HydrophobicContact CE-CE3 4.34Å; L676-W709 HydrophobicContact CD1-CH2 3.38Å; L676-W709 HydrophobicContact CD1-CZ2 3.33Å; S682-W709 VanDerWaalsContact O-CD1 3.23Å; S682-W709 PolarHBondContact O-NE1 3.05Å; S682-W709 VanDerWaalsContact O-NE1 3.11Å; S682-W709 PolarHBondContact OG-NE1 2.86Å; N683-W709 PolarHBondContact OD1-N 3.32Å; N683-W709 VanDerWaalsContact OD1-N 3.12Å; A684-W709 HydrophobicContact CB-CD2 3.78Å; A684-W709 HydrophobicContact CB-CE3 3.51Å; A684-W709 HydrophobicContact CB-CH2 3.74Å; A684-W709 HydrophobicContact CB-CZ2 3.98Å; A684-W709 HydrophobicContact CB-CZ3 3.48Å; A684-W709 VanDerWaalsContact CB-CZ3 3.48Å; M707-W709 HydrophobicContact CB-CB 3.96Å; M707-W709 HydrophobicContact CE-CB 4.15Å; M707-W709 HydrophobicContact CE-CE3 4.03Å; M707-W709 PolarHBondContact O-N 3.33Å; M707-W709 HydrophobicContact SD-CE3 4.15Å; W709-A711 PolarHBondContact O-N 3.04Å; W709-F712 WeakPolarHBondContact O-CB 3.47Å; W709-F712 PolarHBondContact O-N 3.1Å; W709-F741 HydrophobicContact CD2-CE1 4.23Å; W709-F741 HydrophobicContact CG-CD1 4.45Å; W709-F741 HydrophobicContact CG-CE1 4.4Å; W709-F741 WeakPolarHBondContact O-CD1 3.39Å; W709-M838 HydrophobicContact CH2-CE 4.11Å; W709-M838 HydrophobicContact CZ3-CE 4.29Å
710	G	95.8	Very high	96.4	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.01	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-64	-28.8	-176.1	0	0	0	0	0	111.6	E708 F712 Q739 R740 F741 E742	E708-G710 PolarHBondContact O-N 2.95Å; G710-F712 PolarHBondContact O-N 3.14Å; G710-Q739 CarbonylContact O-C 3.54Å; G710-Q739 WeakPolarHBondContact O-CA 3.35Å; G710-R740 PolarHBondContact O-N 3.15Å; G710-F741 PolarHBondContact O-N 3.21Å; G710-F741 VanDerWaalsContact O-N 3.15Å; G710-E742 PolarHBondContact O-N 3.22Å; G710-E742 VanDerWaalsContact O-N 3.16Å
711	A	96	Very high	96.6	Very high	10 Å²	10	23.9 Å²	23.9	8%	0.083	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-75.5	-5.4	175.6	0	0	0	0	0	113.9	P508 E708 W709 G713 D714	P508-A711 WeakPolarHBondContact CB-O 3.33Å; P508-A711 VanDerWaalsContact O-CB 3.26Å; P508-A711 WeakPolarHBondContact O-CB 3.48Å; E708-A711 PolarHBondContact O-N 2.95Å; W709-A711 PolarHBondContact O-N 3.04Å; A711-G713 PolarHBondContact O-N 2.63Å; A711-D714 WeakPolarHBondContact O-CB 3.1Å; A711-D714 PolarHBondContact O-N 2.87Å
712	F	98.3	Very high	96.8	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	134	173.7	177.6	-137.7	0	0	0	110.3	V487 R490 M491 E494 V509 W709 G710 C717 L718 F741	V487-F712 HydrophobicContact CG1-CE1 4.05Å; R490-F712 HydrophobicContact CB-CE2 4.05Å; R490-F712 HydrophobicContact CB-CZ 3.77Å; M491-F712 HydrophobicContact CB-CE1 4.11Å; M491-F712 HydrophobicContact CB-CZ 4.12Å; M491-F712 HydrophobicContact CE-CB 3.93Å; M491-F712 HydrophobicContact CE-CD1 3.24Å; M491-F712 HydrophobicContact CE-CE1 3.81Å; M491-F712 HydrophobicContact CE-CG 3.68Å; M491-F712 HydrophobicContact SD-CD1 4.2Å; M491-F712 HydrophobicContact SD-CG 4.22Å; E494-F712 HydrophobicContact CB-CD2 4.35Å; E494-F712 HydrophobicContact CG-CD2 3.97Å; E494-F712 HydrophobicContact CG-CE2 3.95Å; V509-F712 HydrophobicContact CG2-CB 3.79Å; V509-F712 HydrophobicContact CG2-CD2 4.33Å; V509-F712 HydrophobicContact CG2-CG 4.4Å; W709-F712 WeakPolarHBondContact O-CB 3.47Å; W709-F712 PolarHBondContact O-N 3.1Å; G710-F712 PolarHBondContact O-N 3.14Å; F712-C717 WeakPolarHBondContact CE2-SG 3.26Å; F712-L718 HydrophobicContact CD1-CD1 3.6Å; F712-L718 HydrophobicContact CD1-CD2 4.49Å; F712-L718 HydrophobicContact CD1-CG 4.31Å; F712-L718 HydrophobicContact CE1-CD1 3.66Å; F712-L718 HydrophobicContact CE1-CD2 3.71Å; F712-L718 HydrophobicContact CE1-CG 3.99Å; F712-L718 HydrophobicContact CE2-CD2 4.36Å; F712-L718 HydrophobicContact CE2-CG 4.3Å; F712-L718 HydrophobicContact CG-CD1 4.04Å; F712-L718 HydrophobicContact CZ-CD1 4.14Å; F712-L718 HydrophobicContact CZ-CD2 3.61Å; F712-L718 HydrophobicContact CZ-CG 3.97Å; F712-F741 HydrophobicContact CB-CB 3.75Å; F712-F741 HydrophobicContact CB-CD1 4.23Å; F712-F741 HydrophobicContact CB-CG 4.04Å; F712-F741 HydrophobicContact CD1-CB 4.15Å; F712-F741 HydrophobicContact CD1-CD1 4.11Å; F712-F741 AromaticContact CD1-CD2 3.59Å; F712-F741 HydrophobicContact CD1-CD2 3.59Å; F712-F741 HydrophobicContact CD1-CE1 4.33Å; F712-F741 AromaticContact CD1-CE2 3.83Å; F712-F741 HydrophobicContact CD1-CE2 3.83Å; F712-F741 AromaticContact CD1-CG 3.72Å; F712-F741 HydrophobicContact CD1-CG 3.72Å; F712-F741 HydrophobicContact CD1-CZ 4.19Å; F712-F741 HydrophobicContact CE1-CD2 4.2Å; F712-F741 HydrophobicContact CE1-CE2 4.14Å; F712-F741 HydrophobicContact CG-CB 4.37Å; F712-F741 HydrophobicContact CG-CG 4.36Å; F712-F741 WeakPolarHBondContact O-CB 3.41Å; F712-F741 PolarHBondContact O-N 2.85Å; F712-F741 VanDerWaalsContact O-N 3.08Å
713	G	97.6	Very high	97	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	-8.3	-173.3	0	0	0	0	0	116.2	A711 N715 G716 R740	A711-G713 PolarHBondContact O-N 2.63Å; G713-N715 PolarHBondContact O-N 3.22Å; G713-N715 VanDerWaalsContact O-N 3.16Å; G713-G716 WeakPolarHBondContact O-CA 3.39Å; G713-G716 PolarHBondContact O-N 3.1Å; G713-R740 VanDerWaalsContact O-CD 3.29Å; G713-R740 WeakPolarHBondContact O-CD 3.37Å; G713-R740 PolarHBondContact O-NH1 3.24Å
714	D	97.3	Very high	97	Very high	26 Å²	26	26.1 Å²	26.1	14%	0.139	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.1	177.1	-77	6	0	0	0	113	P508 A711 G716 K738 Q739 R740	P508-D714 HydrophobicContact CB-CB 4.27Å; A711-D714 WeakPolarHBondContact O-CB 3.1Å; A711-D714 PolarHBondContact O-N 2.87Å; D714-G716 VanDerWaalsContact C-N 3.29Å; D714-K738 VanDerWaalsContact OD1-C 3.32Å; D714-K738 WeakPolarHBondContact OD1-CA 3.44Å; D714-K738 VanDerWaalsContact OD2-CA 3.3Å; D714-K738 WeakPolarHBondContact OD2-CA 3.4Å; D714-K738 VanDerWaalsContact OD2-CD 3.3Å; D714-K738 WeakPolarHBondContact OD2-CD 3.24Å; D714-Q739 PolarHBondContact OD1-N 3.32Å; D714-Q739 PolarHBondContact OD2-N 3.09Å; D714-R740 WeakPolarHBondContact OD1-CG 3.28Å; D714-R740 PolarHBondContact OD1-N 2.6Å
715	N	96.6	Very high	97.1	Very high	73 Å²	73	26.7 Å²	26.7	39%	0.39	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	5.2	173.3	66.8	-4.8	0	0	0	113.8	E494 P508 G713 C717	E494-N715 PolarHBondContact OE1-ND2 3.47Å; P508-N715 HydrophobicContact CG-CB 4.39Å; G713-N715 PolarHBondContact O-N 3.22Å; G713-N715 VanDerWaalsContact O-N 3.16Å; N715-C717 VanDerWaalsContact OD1-CB 3.29Å; N715-C717 WeakPolarHBondContact OD1-CB 3.3Å; N715-C717 PolarHBondContact OD1-N 3.18Å; N715-C717 VanDerWaalsContact OD1-N 3.09Å; N715-C717 PolarHBondContact OD1-SG 3.49Å
716	G	97	Very high	97.1	Very high	22 Å²	22	27 Å²	27	23%	0.227	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	-0.7	-178.5	0	0	0	0	0	115.3	G713 D714 L718 D719	G713-G716 WeakPolarHBondContact O-CA 3.39Å; G713-G716 PolarHBondContact O-N 3.1Å; D714-G716 VanDerWaalsContact C-N 3.29Å; G716-L718 PolarHBondContact O-N 3.45Å; G716-D719 WeakPolarHBondContact CA-OD2 3.49Å; G716-D719 WeakPolarHBondContact O-CB 3.39Å; G716-D719 PolarHBondContact O-N 3.38Å
717	C	96.9	Very high	97.2	Very high	27 Å²	27	29 Å²	29	18%	0.182	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	0.4	-178.6	73.2	0	0	0	0	115.1	R490 F712 N715	R490-C717 VanDerWaalsContact CD-O 3.24Å; R490-C717 WeakPolarHBondContact CD-O 3.46Å; R490-C717 PolarHBondContact NH1-O 3.46Å; F712-C717 WeakPolarHBondContact CE2-SG 3.26Å; N715-C717 VanDerWaalsContact OD1-CB 3.29Å; N715-C717 WeakPolarHBondContact OD1-CB 3.3Å; N715-C717 PolarHBondContact OD1-N 3.18Å; N715-C717 VanDerWaalsContact OD1-N 3.09Å; N715-C717 PolarHBondContact OD1-SG 3.49Å
718	L	97.4	Very high	97.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.7	8.9	173.2	-68	-178.5	0	0	0	112.8	F712 G716 D720 F721 R722 F741 M744	F712-L718 HydrophobicContact CD1-CD1 3.6Å; F712-L718 HydrophobicContact CD1-CD2 4.49Å; F712-L718 HydrophobicContact CD1-CG 4.31Å; F712-L718 HydrophobicContact CE1-CD1 3.66Å; F712-L718 HydrophobicContact CE1-CD2 3.71Å; F712-L718 HydrophobicContact CE1-CG 3.99Å; F712-L718 HydrophobicContact CE2-CD2 4.36Å; F712-L718 HydrophobicContact CE2-CG 4.3Å; F712-L718 HydrophobicContact CG-CD1 4.04Å; F712-L718 HydrophobicContact CZ-CD1 4.14Å; F712-L718 HydrophobicContact CZ-CD2 3.61Å; F712-L718 HydrophobicContact CZ-CG 3.97Å; G716-L718 PolarHBondContact O-N 3.45Å; L718-D720 PolarHBondContact O-N 3.26Å; L718-D720 VanDerWaalsContact O-N 3.15Å; L718-F721 HydrophobicContact CD2-CD2 3.76Å; L718-F721 HydrophobicContact CD2-CE2 4.28Å; L718-F721 PolarHBondContact O-N 3.16Å; L718-R722 WeakPolarHBondContact O-CG 3.49Å; L718-R722 PolarHBondContact O-N 3.37Å; L718-F741 HydrophobicContact CD1-CB 4.18Å; L718-F741 HydrophobicContact CD1-CD2 3.74Å; L718-F741 HydrophobicContact CD1-CG 4.39Å; L718-M744 HydrophobicContact CD1-CE 3.87Å
719	D	96.9	Very high	97.2	Very high	79 Å²	79	29.7 Å²	29.7	42%	0.422	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.2	-173.8	-75.1	-21.1	0	0	0	113.1	G716 F721 R722 R740	G716-D719 WeakPolarHBondContact CA-OD2 3.49Å; G716-D719 WeakPolarHBondContact O-CB 3.39Å; G716-D719 PolarHBondContact O-N 3.38Å; D719-F721 VanDerWaalsContact C-N 3.34Å; D719-R722 IonicContact OD1-CZ 3.5Å; D719-R722 IonicContact OD1-NH1 3.14Å; D719-R722 PolarHBondContact OD1-NH1 2.95Å; D719-R740 IonicContact OD1-CZ 3.49Å; D719-R740 IonicContact OD1-NH1 3.83Å; D719-R740 PolarHBondContact OD1-NH1 3.11Å; D719-R740 IonicContact OD2-NH1 2.75Å
720	D	96.1	Very high	97.2	Very high	93 Å²	93	30.1 Å²	30.1	50%	0.497	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-15.9	171.9	56.2	-22.7	0	0	0	114.5	R490 L718	R490-D720 IonicContact CZ-OD1 3.26Å; R490-D720 IonicContact CZ-OD2 3.14Å; R490-D720 VanDerWaalsContact CZ-OD2 3.31Å; R490-D720 IonicContact NH1-OD1 3.86Å; R490-D720 PolarHBondContact NH1-OD1 3.49Å; R490-D720 IonicContact NH1-OD2 2.64Å; R490-D720 PolarHBondContact NH1-OD2 2.62Å; R490-D720 IonicContact NH2-OD1 3.6Å; R490-D720 IonicContact NH2-OD2 2.96Å; R490-D720 PolarHBondContact NH2-OD2 3.44Å; L718-D720 PolarHBondContact O-N 3.26Å; L718-D720 VanDerWaalsContact O-N 3.15Å
721	F	96.2	Very high	97.2	Very high	12 Å²	12	36.3 Å²	36.3	5%	0.053	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-5.2	175.4	-57	-68.7	0	0	0	113.1	L479 Q483 E486 V487 L718 D719	L479-F721 HydrophobicContact CD2-CD1 4.01Å; Q483-F721 HydrophobicContact CB-CD1 4.45Å; Q483-F721 HydrophobicContact CB-CE1 3.66Å; Q483-F721 HydrophobicContact CB-CZ 4.48Å; Q483-F721 HydrophobicContact CG-CE1 3.83Å; E486-F721 HydrophobicContact CB-CZ 4.36Å; E486-F721 HydrophobicContact CG-CZ 4.15Å; V487-F721 HydrophobicContact CG2-CD1 4.35Å; V487-F721 HydrophobicContact CG2-CD2 3.93Å; V487-F721 HydrophobicContact CG2-CE1 4.19Å; V487-F721 HydrophobicContact CG2-CE2 3.73Å; V487-F721 HydrophobicContact CG2-CG 4.23Å; V487-F721 HydrophobicContact CG2-CZ 3.87Å; L718-F721 HydrophobicContact CD2-CD2 3.76Å; L718-F721 HydrophobicContact CD2-CE2 4.28Å; L718-F721 PolarHBondContact O-N 3.16Å; D719-F721 VanDerWaalsContact C-N 3.34Å
722	R	97.9	Very high	97	Very high	34 Å²	34	39.8 Å²	39.8	13%	0.128	21%	0.214	C	C	.	.			trans	-88.7	136.8	177	-70	175.7	70.7	-152.2	5.5	110.3	L718 D719 D726 D730 R740 M744	L718-R722 WeakPolarHBondContact O-CG 3.49Å; L718-R722 PolarHBondContact O-N 3.37Å; D719-R722 IonicContact OD1-CZ 3.5Å; D719-R722 IonicContact OD1-NH1 3.14Å; D719-R722 PolarHBondContact OD1-NH1 2.95Å; R722-D726 HydrophobicContact CB-CB 4.24Å; R722-D726 HydrophobicContact CG-CB 4.45Å; R722-D730 IonicContact CZ-OD2 3.98Å; R722-D730 IonicContact NH2-OD2 2.82Å; R722-D730 PolarHBondContact NH2-OD2 3.1Å; R722-R740 VanDerWaalsContact NH1-CZ 3.3Å; R722-M744 HydrophobicContact CG-CE 4.35Å; R722-M744 HydrophobicContact CG-SD 3.86Å
723	T	98.1	Very high	96.6	Very high	14 Å²	14	41 Å²	41	9%	0.086	22%	0.221	C	C	.	.			trans	-95.3	169.5	173.8	67.8	0	0	0	0	111.1	P476 L477 F725 D726 V727	P476-T723 HydrophobicContact CB-CG2 3.98Å; L477-T723 HydrophobicContact CD2-CG2 3.59Å; L477-T723 HydrophobicContact CG-CG2 4.12Å; T723-F725 PolarHBondContact O-N 2.88Å; T723-F725 PolarHBondContact OG1-N 3.38Å; T723-D726 WeakPolarHBondContact CB-OD2 3.39Å; T723-D726 PolarHBondContact N-OD2 3.06Å; T723-D726 PolarHBondContact O-N 3.45Å; T723-D726 VanDerWaalsContact O-N 3.08Å; T723-D726 PolarHBondContact OG1-N 2.95Å; T723-D726 PolarHBondContact OG1-OD2 3.44Å; T723-V727 WeakPolarHBondContact O-CG2 3.47Å; T723-V727 PolarHBondContact O-N 2.87Å
724	E	97.6	Very high	95.9	Very high	132 Å²	132	46.7 Å²	46.7	62%	0.617	25%	0.251	S	S	*	.	H	α-helix	trans	-56.6	-29.6	170.7	64.8	-172.7	163.6	0	0	112.7	A728	E724-A728 WeakPolarHBondContact O-CB 3.43Å; E724-A728 PolarHBondContact O-N 2.87Å
725	F	98.3	Very high	95.2	Very high	11 Å²	11	47.3 Å²	47.3	5%	0.048	26%	0.255	C	S	.	.	H	α-helix	trans	-71.1	-39.8	176	-51.1	-65.2	0	0	0	111.8	T473 T723 V727 A728 V729 I753 N756 I757 D760	T473-F725 HydrophobicContact CG2-CE2 3.52Å; T473-F725 HydrophobicContact CG2-CZ 3.44Å; T473-F725 VanDerWaalsContact CG2-CZ 3.44Å; T723-F725 PolarHBondContact O-N 2.88Å; T723-F725 PolarHBondContact OG1-N 3.38Å; F725-V727 VanDerWaalsContact C-N 3.32Å; F725-A728 PolarHBondContact O-N 3.04Å; F725-V729 WeakPolarHBondContact O-CG2 3.18Å; F725-V729 PolarHBondContact O-N 3Å; F725-I753 HydrophobicContact CB-CG2 4.24Å; F725-N756 HydrophobicContact CD1-CB 4.05Å; F725-I757 HydrophobicContact CB-CG1 4.32Å; F725-I757 HydrophobicContact CD1-CG1 3.8Å; F725-I757 HydrophobicContact CD2-CD1 4.18Å; F725-I757 HydrophobicContact CD2-CG1 3.55Å; F725-I757 HydrophobicContact CE1-CB 4.45Å; F725-I757 HydrophobicContact CE1-CG1 3.97Å; F725-I757 HydrophobicContact CE2-CG1 3.74Å; F725-I757 HydrophobicContact CG-CD1 4.44Å; F725-I757 HydrophobicContact CG-CG1 3.59Å; F725-I757 HydrophobicContact CZ-CG1 3.94Å; F725-D760 HydrophobicContact CE1-CB 3.92Å; F725-D760 HydrophobicContact CZ-CB 4.37Å
726	D	98.3	Very high	95.1	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.032	26%	0.261	C	S	.	.	H	α-helix	trans	-66.4	-37.4	175.6	-57.5	-62.6	0	0	0	111.4	R722 T723 D730 I753 R829	R722-D726 HydrophobicContact CB-CB 4.24Å; R722-D726 HydrophobicContact CG-CB 4.45Å; T723-D726 WeakPolarHBondContact CB-OD2 3.39Å; T723-D726 PolarHBondContact N-OD2 3.06Å; T723-D726 PolarHBondContact O-N 3.45Å; T723-D726 VanDerWaalsContact O-N 3.08Å; T723-D726 PolarHBondContact OG1-N 2.95Å; T723-D726 PolarHBondContact OG1-OD2 3.44Å; D726-D730 VanDerWaalsContact O-CB 3.32Å; D726-D730 WeakPolarHBondContact O-CB 3.37Å; D726-D730 PolarHBondContact O-N 3.48Å; D726-I753 WeakPolarHBondContact OD1-CD1 3.19Å; D726-R829 IonicContact OD1-CZ 2.67Å; D726-R829 IonicContact OD1-NH1 2.73Å; D726-R829 PolarHBondContact OD1-NH1 3.36Å; D726-R829 IonicContact OD1-NH2 3.89Å; D726-R829 PolarHBondContact OD1-NH2 2.82Å; D726-R829 IonicContact OD2-CZ 3.04Å; D726-R829 IonicContact OD2-NH1 3.31Å; D726-R829 PolarHBondContact OD2-NH1 3.31Å; D726-R829 IonicContact OD2-NH2 3.54Å
727	V	97.8	Very high	94.9	Very high	50 Å²	50	47.6 Å²	47.6	30%	0.303	26%	0.261	S	S	.	.	H	α-helix	trans	-64	-47.1	173.7	175.9	0	0	0	0	110.5	T723 F725 V729 D730 E731	T723-V727 WeakPolarHBondContact O-CG2 3.47Å; T723-V727 PolarHBondContact O-N 2.87Å; F725-V727 VanDerWaalsContact C-N 3.32Å; V727-V729 VanDerWaalsContact C-N 3.34Å; V727-V729 PolarHBondContact O-N 2.77Å; V727-D730 PolarHBondContact O-N 2.74Å; V727-D730 VanDerWaalsContact O-N 3.16Å; V727-E731 HydrophobicContact CG1-CG 4.24Å; V727-E731 WeakPolarHBondContact O-CG 3.45Å; V727-E731 PolarHBondContact O-N 2.8Å
728	A	97.1	Very high	94.7	Very high	26 Å²	26	51.3 Å²	51.3	22%	0.215	27%	0.274	C	S	.	.	H	α-helix	trans	-61.3	-40.4	178	0	0	0	0	0	112.6	E724 F725 L732	E724-A728 WeakPolarHBondContact O-CB 3.43Å; E724-A728 PolarHBondContact O-N 2.87Å; F725-A728 PolarHBondContact O-N 3.04Å; A728-L732 VanDerWaalsContact O-CB 3.31Å; A728-L732 WeakPolarHBondContact O-CB 3.39Å; A728-L732 VanDerWaalsContact O-CG 3.24Å; A728-L732 WeakPolarHBondContact O-CG 3.49Å; A728-L732 PolarHBondContact O-N 3.04Å
729	V	97.3	Very high	94.6	Very high	8 Å²	8	52.3 Å²	52.3	5%	0.048	28%	0.278	C	S	.	.	H	α-helix	trans	-65	-41.6	174.9	171.2	0	0	0	0	111.2	F725 V727 S733 Y749 E752 I753	F725-V729 WeakPolarHBondContact O-CG2 3.18Å; F725-V729 PolarHBondContact O-N 3Å; V727-V729 VanDerWaalsContact C-N 3.34Å; V727-V729 PolarHBondContact O-N 2.77Å; V729-S733 WeakPolarHBondContact O-CB 3.45Å; V729-S733 PolarHBondContact O-N 2.67Å; V729-S733 VanDerWaalsContact O-N 3.14Å; V729-Y749 HydrophobicContact CG1-CD1 4.05Å; V729-E752 HydrophobicContact CG1-CB 4.27Å; V729-E752 HydrophobicContact CG2-CB 3.78Å; V729-I753 HydrophobicContact CG2-CG1 3.9Å
730	D	96.6	Very high	94.6	Very high	8 Å²	8	50.6 Å²	50.6	4%	0.043	27%	0.266	C	S	.	.	H	α-helix	trans	-64.2	-51.8	178.4	-176.2	29.2	0	0	0	112.3	R722 D726 V727 L732 S733 P736 G737 R740 K743	R722-D730 IonicContact CZ-OD2 3.98Å; R722-D730 IonicContact NH2-OD2 2.82Å; R722-D730 PolarHBondContact NH2-OD2 3.1Å; D726-D730 VanDerWaalsContact O-CB 3.32Å; D726-D730 WeakPolarHBondContact O-CB 3.37Å; D726-D730 PolarHBondContact O-N 3.48Å; V727-D730 PolarHBondContact O-N 2.74Å; V727-D730 VanDerWaalsContact O-N 3.16Å; D730-L732 VanDerWaalsContact C-N 3.25Å; D730-L732 PolarHBondContact O-N 3.17Å; D730-S733 WeakPolarHBondContact O-CB 3.49Å; D730-S733 PolarHBondContact O-N 3.5Å; D730-S733 VanDerWaalsContact O-N 3.15Å; D730-S733 PolarHBondContact O-OG 2.78Å; D730-P736 WeakPolarHBondContact O-CA 3.41Å; D730-G737 PolarHBondContact OD1-N 3.4Å; D730-G737 PolarHBondContact OD2-N 2.88Å; D730-R740 IonicContact OD2-NE 2.78Å; D730-K743 HydrophobicContact CB-CD 4.27Å; D730-K743 IonicContact OD1-NZ 3.21Å; D730-K743 PolarHBondContact OD1-NZ 3.26Å
731	E	96.2	Very high	94.7	Very high	131 Å²	131	46.2 Å²	46.2	61%	0.612	24%	0.242	S	C	*	.	H	α-helix	trans	-59.7	-35.4	-179.2	-73.2	-179.8	169.5	0	0	113.2	V727	V727-E731 HydrophobicContact CG1-CG 4.24Å; V727-E731 WeakPolarHBondContact O-CG 3.45Å; V727-E731 PolarHBondContact O-N 2.8Å
732	L	91.6	Very high	94.7	Very high	84 Å²	84	46.2 Å²	46.2	44%	0.44	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-3.9	-177.4	-64	-179.4	0	0	0	113.4	A728 D730 R779	A728-L732 VanDerWaalsContact O-CB 3.31Å; A728-L732 WeakPolarHBondContact O-CB 3.39Å; A728-L732 VanDerWaalsContact O-CG 3.24Å; A728-L732 WeakPolarHBondContact O-CG 3.49Å; A728-L732 PolarHBondContact O-N 3.04Å; D730-L732 VanDerWaalsContact C-N 3.25Å; D730-L732 PolarHBondContact O-N 3.17Å; L732-R779 PolarHBondContact O-NH1 3.03Å
733	S	89.4	Confident	94.7	Very high	24 Å²	24	44.9 Å²	44.9	17%	0.168	24%	0.238	C	C	.	.	S	Bend	trans	-73.3	171.1	178.2	73.9	0	0	0	0	112.6	V729 D730 N735 K743	V729-S733 WeakPolarHBondContact O-CB 3.45Å; V729-S733 PolarHBondContact O-N 2.67Å; V729-S733 VanDerWaalsContact O-N 3.14Å; D730-S733 WeakPolarHBondContact O-CB 3.49Å; D730-S733 PolarHBondContact O-N 3.5Å; D730-S733 VanDerWaalsContact O-N 3.15Å; D730-S733 PolarHBondContact O-OG 2.78Å; S733-N735 PolarHBondContact O-N 3.5Å; S733-N735 PolarHBondContact OG-N 3.43Å; S733-N735 PolarHBondContact OG-OD1 3.34Å; S733-K743 WeakPolarHBondContact OG-CE 3.45Å; S733-K743 PolarHBondContact OG-NZ 3.16Å
734	L	83.6	Confident	94.7	Very high	120 Å²	120	44.3 Å²	44.3	63%	0.628	23%	0.234	S	C	*	.	S	Bend	trans	-70.5	-17.6	174.1	-66.2	175.1	0	0	0	113.2
735	N	83.1	Confident	94.8	Very high	40 Å²	40	38 Å²	38	21%	0.214	21%	0.205	C	C	.	.	S	Bend	trans	-134.6	66.4	-175.2	59.2	-19.8	0	0	0	111.5	S733 G737 K738 Q739 K743	S733-N735 PolarHBondContact O-N 3.5Å; S733-N735 PolarHBondContact OG-N 3.43Å; S733-N735 PolarHBondContact OG-OD1 3.34Å; N735-G737 PolarHBondContact O-N 2.88Å; N735-K738 HydrophobicContact CB-CB 4.22Å; N735-K738 PolarHBondContact O-N 3.47Å; N735-Q739 WeakPolarHBondContact ND2-CG 3.38Å; N735-K743 PolarHBondContact O-NZ 2.93Å; N735-K743 WeakPolarHBondContact OD1-CE 3.31Å; N735-K743 PolarHBondContact OD1-NZ 3.41Å
736	P	92.9	Very high	94.6	Very high	78 Å²	78	37.5 Å²	37.5	51%	0.506	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	138.3	-179.2	-25	35.9	0	0	0	113.2	D730 K738	D730-P736 WeakPolarHBondContact O-CA 3.41Å; P736-K738 PolarHBondContact O-N 3.25Å
737	G	94.1	Very high	94.3	Very high	22 Å²	22	37.5 Å²	37.5	23%	0.227	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	7.6	-179.2	0	0	0	0	0	114.3	D730 N735	D730-G737 PolarHBondContact OD1-N 3.4Å; D730-G737 PolarHBondContact OD2-N 2.88Å; N735-G737 PolarHBondContact O-N 2.88Å
738	K	93.1	Very high	93.9	Very high	106 Å²	106	39 Å²	39	46%	0.461	21%	0.209	S	C	.	.	S	Bend	trans	-122.2	156.9	178.7	-62.8	-61.4	-177.6	-175.2	0	112.1	D714 N735 P736 R740 K743	D714-K738 VanDerWaalsContact OD1-C 3.32Å; D714-K738 WeakPolarHBondContact OD1-CA 3.44Å; D714-K738 VanDerWaalsContact OD2-CA 3.3Å; D714-K738 WeakPolarHBondContact OD2-CA 3.4Å; D714-K738 VanDerWaalsContact OD2-CD 3.3Å; D714-K738 WeakPolarHBondContact OD2-CD 3.24Å; N735-K738 HydrophobicContact CB-CB 4.22Å; N735-K738 PolarHBondContact O-N 3.47Å; P736-K738 PolarHBondContact O-N 3.25Å; K738-R740 PolarHBondContact O-N 3.15Å; K738-K743 WeakPolarHBondContact O-CE 3.39Å; K738-K743 PolarHBondContact O-NZ 3.42Å
739	Q	93.7	Very high	93.8	Very high	21 Å²	21	38.6 Å²	38.6	10%	0.098	20%	0.202	C	C	.	.			trans	57	36.3	177	-58.2	-61.7	104	0	0	112.8	G710 D714 N735 F741 E742 K743	G710-Q739 CarbonylContact O-C 3.54Å; G710-Q739 WeakPolarHBondContact O-CA 3.35Å; D714-Q739 PolarHBondContact OD1-N 3.32Å; D714-Q739 PolarHBondContact OD2-N 3.09Å; N735-Q739 WeakPolarHBondContact ND2-CG 3.38Å; Q739-F741 VanDerWaalsContact C-N 3.34Å; Q739-F741 PolarHBondContact O-N 2.88Å; Q739-E742 HydrophobicContact CB-CB 4.18Å; Q739-E742 PolarHBondContact NE2-OE1 2.92Å; Q739-E742 PolarHBondContact O-N 2.68Å; Q739-K743 WeakPolarHBondContact O-CB 3.43Å; Q739-K743 WeakPolarHBondContact O-CG 3.22Å; Q739-K743 PolarHBondContact O-N 3.17Å
740	R	97.4	Very high	93.8	Very high	43 Å²	43	38.3 Å²	38.3	16%	0.162	20%	0.2	C	C	.	.	H	α-helix	trans	-62.5	-37.4	-171.7	-72.8	179.9	179.7	179.6	-2.1	113.2	G710 G713 D714 D719 R722 D730 K738	G710-R740 PolarHBondContact O-N 3.15Å; G713-R740 VanDerWaalsContact O-CD 3.29Å; G713-R740 WeakPolarHBondContact O-CD 3.37Å; G713-R740 PolarHBondContact O-NH1 3.24Å; D714-R740 WeakPolarHBondContact OD1-CG 3.28Å; D714-R740 PolarHBondContact OD1-N 2.6Å; D719-R740 IonicContact OD1-CZ 3.49Å; D719-R740 IonicContact OD1-NH1 3.83Å; D719-R740 PolarHBondContact OD1-NH1 3.11Å; D719-R740 IonicContact OD2-NH1 2.75Å; R722-R740 VanDerWaalsContact NH1-CZ 3.3Å; D730-R740 IonicContact OD2-NE 2.78Å; K738-R740 PolarHBondContact O-N 3.15Å
741	F	98.4	Very high	93.8	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-71	-43.3	176.4	-174.5	-118.5	0	0	0	112.1	V487 M491 W709 G710 F712 L718 Q739 K743 M744 I745 L833	V487-F741 HydrophobicContact CG1-CE2 4.5Å; M491-F741 HydrophobicContact CE-CD1 4.19Å; M491-F741 HydrophobicContact CE-CE1 3.74Å; M491-F741 HydrophobicContact CE-CZ 4.04Å; W709-F741 HydrophobicContact CD2-CE1 4.23Å; W709-F741 HydrophobicContact CG-CD1 4.45Å; W709-F741 HydrophobicContact CG-CE1 4.4Å; W709-F741 WeakPolarHBondContact O-CD1 3.39Å; G710-F741 PolarHBondContact O-N 3.21Å; G710-F741 VanDerWaalsContact O-N 3.15Å; F712-F741 HydrophobicContact CB-CB 3.75Å; F712-F741 HydrophobicContact CB-CD1 4.23Å; F712-F741 HydrophobicContact CB-CG 4.04Å; F712-F741 HydrophobicContact CD1-CB 4.15Å; F712-F741 HydrophobicContact CD1-CD1 4.11Å; F712-F741 AromaticContact CD1-CD2 3.59Å; F712-F741 HydrophobicContact CD1-CD2 3.59Å; F712-F741 HydrophobicContact CD1-CE1 4.33Å; F712-F741 AromaticContact CD1-CE2 3.83Å; F712-F741 HydrophobicContact CD1-CE2 3.83Å; F712-F741 AromaticContact CD1-CG 3.72Å; F712-F741 HydrophobicContact CD1-CG 3.72Å; F712-F741 HydrophobicContact CD1-CZ 4.19Å; F712-F741 HydrophobicContact CE1-CD2 4.2Å; F712-F741 HydrophobicContact CE1-CE2 4.14Å; F712-F741 HydrophobicContact CG-CB 4.37Å; F712-F741 HydrophobicContact CG-CG 4.36Å; F712-F741 WeakPolarHBondContact O-CB 3.41Å; F712-F741 PolarHBondContact O-N 2.85Å; F712-F741 VanDerWaalsContact O-N 3.08Å; L718-F741 HydrophobicContact CD1-CB 4.18Å; L718-F741 HydrophobicContact CD1-CD2 3.74Å; L718-F741 HydrophobicContact CD1-CG 4.39Å; Q739-F741 VanDerWaalsContact C-N 3.34Å; Q739-F741 PolarHBondContact O-N 2.88Å; F741-K743 VanDerWaalsContact C-N 3.27Å; F741-K743 PolarHBondContact O-N 2.67Å; F741-M744 HydrophobicContact CD2-CE 4.32Å; F741-M744 PolarHBondContact O-N 3.29Å; F741-M744 VanDerWaalsContact O-N 3.1Å; F741-I745 HydrophobicContact CD1-CD1 3.75Å; F741-I745 HydrophobicContact CD2-CD1 3.99Å; F741-I745 HydrophobicContact CE1-CD1 3.42Å; F741-I745 VanDerWaalsContact CE1-CD1 3.42Å; F741-I745 HydrophobicContact CE2-CD1 3.7Å; F741-I745 HydrophobicContact CG-CD1 4.03Å; F741-I745 HydrophobicContact CZ-CD1 3.4Å; F741-L833 HydrophobicContact CE2-CB 4.03Å; F741-L833 HydrophobicContact CE2-CD2 4.49Å; F741-L833 WeakPolarHBondContact CZ-O 3.39Å
742	E	97.1	Very high	93.9	Very high	13 Å²	13	32.9 Å²	32.9	6%	0.061	18%	0.175	C	C	.	.	H	α-helix	trans	-58.8	-40.2	175.2	176.9	176.4	77.2	0	0	111.8	G681 S682 G710 Q739 M744 I745 S746 Y749	G681-E742 WeakPolarHBondContact CA-OE2 3.41Å; S682-E742 PolarHBondContact N-OE2 3.12Å; G710-E742 PolarHBondContact O-N 3.22Å; G710-E742 VanDerWaalsContact O-N 3.16Å; Q739-E742 HydrophobicContact CB-CB 4.18Å; Q739-E742 PolarHBondContact NE2-OE1 2.92Å; Q739-E742 PolarHBondContact O-N 2.68Å; E742-M744 PolarHBondContact O-N 3.26Å; E742-I745 PolarHBondContact O-N 3.45Å; E742-S746 PolarHBondContact O-N 2.98Å; E742-Y749 HydrophobicContact CG-CE2 4.08Å
743	K	97.4	Very high	94.2	Very high	6 Å²	6	28.9 Å²	28.9	3%	0.026	15%	0.154	C	C	.	.	H	α-helix	trans	-60.5	-23.7	177.1	-78.1	166.4	172	163.8	0	114.4	D730 S733 N735 K738 Q739 F741 Y749 I753	D730-K743 HydrophobicContact CB-CD 4.27Å; D730-K743 IonicContact OD1-NZ 3.21Å; D730-K743 PolarHBondContact OD1-NZ 3.26Å; S733-K743 WeakPolarHBondContact OG-CE 3.45Å; S733-K743 PolarHBondContact OG-NZ 3.16Å; N735-K743 PolarHBondContact O-NZ 2.93Å; N735-K743 WeakPolarHBondContact OD1-CE 3.31Å; N735-K743 PolarHBondContact OD1-NZ 3.41Å; K738-K743 WeakPolarHBondContact O-CE 3.39Å; K738-K743 PolarHBondContact O-NZ 3.42Å; Q739-K743 WeakPolarHBondContact O-CB 3.43Å; Q739-K743 WeakPolarHBondContact O-CG 3.22Å; Q739-K743 PolarHBondContact O-N 3.17Å; F741-K743 VanDerWaalsContact C-N 3.27Å; F741-K743 PolarHBondContact O-N 2.67Å; K743-Y749 VanDerWaalsContact CA-CD2 3.49Å; K743-Y749 HydrophobicContact CB-CD1 4.5Å; K743-Y749 HydrophobicContact CB-CD2 4.22Å; K743-Y749 HydrophobicContact CB-CG 4.14Å; K743-Y749 HydrophobicContact CD-CE1 4.49Å; K743-Y749 HydrophobicContact CG-CD1 3.76Å; K743-Y749 HydrophobicContact CG-CD2 3.82Å; K743-Y749 HydrophobicContact CG-CE1 3.75Å; K743-Y749 HydrophobicContact CG-CE2 3.83Å; K743-Y749 HydrophobicContact CG-CG 3.79Å; K743-Y749 WeakPolarHBondContact O-CB 3.43Å; K743-I753 WeakPolarHBondContact O-CD1 3.35Å
744	M	98.4	Very high	94.6	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-3.1	176	-63.4	-174.2	-68.9	0	0	113.3	L718 R722 F741 E742 A830 L833	L718-M744 HydrophobicContact CD1-CE 3.87Å; R722-M744 HydrophobicContact CG-CE 4.35Å; R722-M744 HydrophobicContact CG-SD 3.86Å; F741-M744 HydrophobicContact CD2-CE 4.32Å; F741-M744 PolarHBondContact O-N 3.29Å; F741-M744 VanDerWaalsContact O-N 3.1Å; E742-M744 PolarHBondContact O-N 3.26Å; M744-A830 WeakPolarHBondContact O-CA 3.43Å; M744-A830 WeakPolarHBondContact O-CB 3.49Å; M744-L833 HydrophobicContact CB-CD1 3.82Å; M744-L833 HydrophobicContact CE-CD1 4.28Å; M744-L833 HydrophobicContact SD-CD1 4.21Å
745	I	98.3	Very high	95.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.4	-46.7	-170.1	-65	172.4	0	0	0	112.8	V678 F741 E742 L833 C834 L864 F871	V678-I745 HydrophobicContact CG1-CG2 4.24Å; F741-I745 HydrophobicContact CD1-CD1 3.75Å; F741-I745 HydrophobicContact CD2-CD1 3.99Å; F741-I745 HydrophobicContact CE1-CD1 3.42Å; F741-I745 VanDerWaalsContact CE1-CD1 3.42Å; F741-I745 HydrophobicContact CE2-CD1 3.7Å; F741-I745 HydrophobicContact CG-CD1 4.03Å; F741-I745 HydrophobicContact CZ-CD1 3.4Å; E742-I745 PolarHBondContact O-N 3.45Å; I745-L833 HydrophobicContact CD1-CB 4.1Å; I745-L833 HydrophobicContact CG1-CB 4.14Å; I745-C834 HydrophobicContact CD1-CB 4.16Å; I745-C834 HydrophobicContact CG2-CB 4.07Å; I745-L864 WeakPolarHBondContact O-CD2 3.33Å; I745-F871 HydrophobicContact CG2-CZ 4.16Å
746	S	94.9	Very high	96	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-82.7	155.3	-163	85.7	0	0	0	0	114	T680 G681 E742 M748 Y749 L750	T680-S746 VanDerWaalsContact O-CB 3.23Å; T680-S746 WeakPolarHBondContact O-CB 3.44Å; T680-S746 PolarHBondContact O-OG 2.91Å; G681-S746 VanDerWaalsContact C-CB 3.46Å; E742-S746 PolarHBondContact O-N 2.98Å; S746-M748 PolarHBondContact O-N 3.02Å; S746-M748 VanDerWaalsContact O-N 3.09Å; S746-Y749 PolarHBondContact O-N 3.44Å; S746-Y749 WeakPolarHBondContact OG-CD2 3.28Å; S746-L750 WeakPolarHBondContact O-CG 3.48Å; S746-L750 PolarHBondContact O-N 3.06Å; S746-L750 VanDerWaalsContact O-N 3.15Å
747	G	91.8	Very high	96.3	Very high	7 Å²	7	18.2 Å²	18.2	7%	0.072	9%	0.091	C	C	.	.	H	α-helix	trans	-61.8	-19.7	-176.1	0	0	0	0	0	114.8	G679 Y749 T784	G679-G747 WeakPolarHBondContact O-CA 3.39Å; G679-G747 PolarHBondContact O-N 3.45Å; G747-Y749 VanDerWaalsContact C-N 3.33Å; G747-T784 VanDerWaalsContact CA-OG1 3.26Å; G747-T784 WeakPolarHBondContact CA-OG1 3.25Å; G747-T784 PolarHBondContact O-OG1 3.47Å; G747-T784 VanDerWaalsContact O-OG1 3.14Å
748	M	90	Very high	96.4	Very high	81 Å²	81	17.1 Å²	17.1	40%	0.399	8%	0.08	S	C	.	.	H	α-helix	trans	-69.6	-28.5	174.1	-176.8	172.7	179.7	0	0	112.9	T680 S746	T680-M748 HydrophobicContact CG2-CB 4.03Å; T680-M748 HydrophobicContact CG2-SD 4.18Å; T680-M748 WeakPolarHBondContact O-CB 3.21Å; T680-M748 PolarHBondContact O-N 3.33Å; S746-M748 PolarHBondContact O-N 3.02Å; S746-M748 VanDerWaalsContact O-N 3.09Å
749	Y	95.4	Very high	96.6	Very high	17 Å²	17	13.1 Å²	13.1	7%	0.067	6%	0.063	C	C	.	.	H	α-helix	trans	-115	-27.2	-169.1	-54.8	-73.5	0	0	0	113.9	V729 E742 K743 S746 G747 G751 E752 I753	V729-Y749 HydrophobicContact CG1-CD1 4.05Å; E742-Y749 HydrophobicContact CG-CE2 4.08Å; K743-Y749 VanDerWaalsContact CA-CD2 3.49Å; K743-Y749 HydrophobicContact CB-CD1 4.5Å; K743-Y749 HydrophobicContact CB-CD2 4.22Å; K743-Y749 HydrophobicContact CB-CG 4.14Å; K743-Y749 HydrophobicContact CD-CE1 4.49Å; K743-Y749 HydrophobicContact CG-CD1 3.76Å; K743-Y749 HydrophobicContact CG-CD2 3.82Å; K743-Y749 HydrophobicContact CG-CE1 3.75Å; K743-Y749 HydrophobicContact CG-CE2 3.83Å; K743-Y749 HydrophobicContact CG-CG 3.79Å; K743-Y749 WeakPolarHBondContact O-CB 3.43Å; S746-Y749 PolarHBondContact O-N 3.44Å; S746-Y749 WeakPolarHBondContact OG-CD2 3.28Å; G747-Y749 VanDerWaalsContact C-N 3.33Å; Y749-G751 PolarHBondContact O-N 3.44Å; Y749-E752 WeakPolarHBondContact O-CB 3.42Å; Y749-E752 PolarHBondContact O-N 2.72Å; Y749-I753 PolarHBondContact O-N 3.31Å
750	L	97.1	Very high	96.8	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-55.2	-41.9	179.6	-64.6	-167.6	0	0	0	112.5	S746 E752 I753 V754 L787 V826 A830 L864	S746-L750 WeakPolarHBondContact O-CG 3.48Å; S746-L750 PolarHBondContact O-N 3.06Å; S746-L750 VanDerWaalsContact O-N 3.15Å; L750-E752 VanDerWaalsContact C-N 3.27Å; L750-E752 PolarHBondContact O-N 3.47Å; L750-I753 HydrophobicContact CD2-CD1 4.39Å; L750-I753 PolarHBondContact O-N 3.08Å; L750-V754 WeakPolarHBondContact O-CG2 3.34Å; L750-V754 PolarHBondContact O-N 3.28Å; L750-L787 HydrophobicContact CB-CD1 3.91Å; L750-V826 HydrophobicContact CB-CG1 4.3Å; L750-V826 HydrophobicContact CD2-CG1 4.01Å; L750-A830 HydrophobicContact CD1-CB 3.88Å; L750-A830 HydrophobicContact CD2-CB 3.68Å; L750-A830 HydrophobicContact CG-CB 4.42Å; L750-L864 HydrophobicContact CD1-CD1 4.23Å; L750-L864 HydrophobicContact CD1-CD2 3.65Å
751	G	96.7	Very high	96.7	Very high	2 Å²	2	11.9 Å²	11.9	2%	0.021	6%	0.06	C	C	.	.	H	α-helix	trans	-62.3	-33.4	177.2	0	0	0	0	0	113.5	Y749 R755 F782	Y749-G751 PolarHBondContact O-N 3.44Å; G751-R755 VanDerWaalsContact O-CB 3.29Å; G751-R755 WeakPolarHBondContact O-CB 3.3Å; G751-R755 PolarHBondContact O-N 3.26Å; G751-F782 VanDerWaalsContact CA-O 3.27Å; G751-F782 WeakPolarHBondContact CA-O 3.3Å
752	E	97.4	Very high	96.5	Very high	24 Å²	24	11.9 Å²	11.9	11%	0.112	6%	0.06	C	C	.	.	H	α-helix	trans	-75.7	-34.5	176.8	-73.9	-64.4	102.8	0	0	112.1	V729 Y749 L750 R755 N756 R779 G780	V729-E752 HydrophobicContact CG1-CB 4.27Å; V729-E752 HydrophobicContact CG2-CB 3.78Å; Y749-E752 WeakPolarHBondContact O-CB 3.42Å; Y749-E752 PolarHBondContact O-N 2.72Å; L750-E752 VanDerWaalsContact C-N 3.27Å; L750-E752 PolarHBondContact O-N 3.47Å; E752-R755 VanDerWaalsContact CD-NE 3.32Å; E752-R755 PolarHBondContact O-N 3.19Å; E752-R755 WeakPolarHBondContact OE1-CD 3.36Å; E752-R755 IonicContact OE1-CZ 3.13Å; E752-R755 IonicContact OE1-NE 2.72Å; E752-R755 PolarHBondContact OE1-NE 3.42Å; E752-R755 IonicContact OE1-NH2 2.74Å; E752-R755 IonicContact OE2-CZ 3.07Å; E752-R755 IonicContact OE2-NE 2.71Å; E752-R755 PolarHBondContact OE2-NE 3.18Å; E752-R755 VanDerWaalsContact OE2-NE 3.09Å; E752-R755 IonicContact OE2-NH2 2.79Å; E752-R755 PolarHBondContact OE2-NH2 3.21Å; E752-N756 PolarHBondContact O-N 3.02Å; E752-N756 PolarHBondContact O-ND2 3.2Å; E752-R779 WeakPolarHBondContact OE1-CA 3.19Å; E752-G780 PolarHBondContact OE1-N 3.47Å
753	I	98.4	Very high	96.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.8	-50.4	172	-63.2	165.5	0	0	0	109.1	F725 D726 V729 K743 Y749 L750 R755 N756 I757 V826	F725-I753 HydrophobicContact CB-CG2 4.24Å; D726-I753 WeakPolarHBondContact OD1-CD1 3.19Å; V729-I753 HydrophobicContact CG2-CG1 3.9Å; K743-I753 WeakPolarHBondContact O-CD1 3.35Å; Y749-I753 PolarHBondContact O-N 3.31Å; L750-I753 HydrophobicContact CD2-CD1 4.39Å; L750-I753 PolarHBondContact O-N 3.08Å; I753-R755 PolarHBondContact O-N 3.35Å; I753-N756 PolarHBondContact O-N 3.3Å; I753-I757 HydrophobicContact CG2-CD1 3.97Å; I753-I757 WeakPolarHBondContact O-CG1 3.49Å; I753-I757 PolarHBondContact O-N 3.14Å; I753-I757 VanDerWaalsContact O-N 3.07Å; I753-V826 HydrophobicContact CB-CG1 4.19Å; I753-V826 HydrophobicContact CG2-CG1 4.08Å; I753-V826 HydrophobicContact CG2-CG2 3.84Å
754	V	98.2	Very high	96	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.006	10%	0.104	C	C	.	.	H	α-helix	trans	-54	-52.9	174.4	170.7	0	0	0	0	110.2	L750 N756 I757 L758 F782 L787 V822 V826	L750-V754 WeakPolarHBondContact O-CG2 3.34Å; L750-V754 PolarHBondContact O-N 3.28Å; V754-N756 VanDerWaalsContact C-N 3.31Å; V754-N756 PolarHBondContact O-N 2.89Å; V754-I757 PolarHBondContact O-N 3.26Å; V754-I757 VanDerWaalsContact O-N 3.12Å; V754-L758 HydrophobicContact CG1-CD1 3.95Å; V754-L758 HydrophobicContact CG1-CG 4.13Å; V754-L758 VanDerWaalsContact O-CG 3.31Å; V754-L758 WeakPolarHBondContact O-CG 3.41Å; V754-L758 PolarHBondContact O-N 3.11Å; V754-F782 HydrophobicContact CG1-CD2 4.48Å; V754-L787 HydrophobicContact CB-CD2 4.47Å; V754-L787 HydrophobicContact CG2-CD2 4.01Å; V754-V822 HydrophobicContact CB-CG1 4.43Å; V754-V822 HydrophobicContact CG1-CG1 4.11Å; V754-V822 HydrophobicContact CG2-CG1 4.34Å; V754-V826 HydrophobicContact CG2-CB 4.01Å; V754-V826 HydrophobicContact CG2-CG1 4.13Å; V754-V826 HydrophobicContact CG2-CG2 3.99Å
755	R	97.9	Very high	95.4	Very high	10 Å²	10	24.2 Å²	24.2	4%	0.038	12%	0.121	C	C	.	.	H	α-helix	trans	-55.8	-42.5	-178.8	-166.7	-175.6	63.5	67.5	9.5	112.7	G751 E752 I753 L758 I759 L776 T778 I781 F782	G751-R755 VanDerWaalsContact O-CB 3.29Å; G751-R755 WeakPolarHBondContact O-CB 3.3Å; G751-R755 PolarHBondContact O-N 3.26Å; E752-R755 VanDerWaalsContact CD-NE 3.32Å; E752-R755 PolarHBondContact O-N 3.19Å; E752-R755 WeakPolarHBondContact OE1-CD 3.36Å; E752-R755 IonicContact OE1-CZ 3.13Å; E752-R755 IonicContact OE1-NE 2.72Å; E752-R755 PolarHBondContact OE1-NE 3.42Å; E752-R755 IonicContact OE1-NH2 2.74Å; E752-R755 IonicContact OE2-CZ 3.07Å; E752-R755 IonicContact OE2-NE 2.71Å; E752-R755 PolarHBondContact OE2-NE 3.18Å; E752-R755 VanDerWaalsContact OE2-NE 3.09Å; E752-R755 IonicContact OE2-NH2 2.79Å; E752-R755 PolarHBondContact OE2-NH2 3.21Å; I753-R755 PolarHBondContact O-N 3.35Å; R755-L758 PolarHBondContact O-N 3.16Å; R755-I759 WeakPolarHBondContact O-CG1 3.47Å; R755-I759 PolarHBondContact O-N 3.39Å; R755-L776 WeakPolarHBondContact CD-O 3.44Å; R755-L776 HydrophobicContact CG-CD1 4.29Å; R755-L776 WeakPolarHBondContact CG-O 3.47Å; R755-L776 PolarHBondContact NH1-O 3.31Å; R755-T778 WeakPolarHBondContact CD-O 3.48Å; R755-I781 HydrophobicContact CG-CG2 4.27Å; R755-F782 HydrophobicContact CB-CD2 4.02Å; R755-F782 HydrophobicContact CB-CE2 4.39Å; R755-F782 HydrophobicContact CG-CD2 4.34Å; R755-F782 HydrophobicContact CG-CE2 4.42Å
756	N	98.1	Very high	95	Very high	26 Å²	26	25 Å²	25	14%	0.139	13%	0.125	C	C	.	.	H	α-helix	trans	-68.7	-38.3	179.2	-76.8	-71	0	0	0	112.3	F725 E752 I753 V754 I759 D760	F725-N756 HydrophobicContact CD1-CB 4.05Å; E752-N756 PolarHBondContact O-N 3.02Å; E752-N756 PolarHBondContact O-ND2 3.2Å; I753-N756 PolarHBondContact O-N 3.3Å; V754-N756 VanDerWaalsContact C-N 3.31Å; V754-N756 PolarHBondContact O-N 2.89Å; N756-I759 PolarHBondContact O-N 2.89Å; N756-D760 PolarHBondContact O-N 3.39Å
757	I	98.3	Very high	94.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.2	-45.9	172.6	-64	164.1	0	0	0	110.4	L474 L477 F725 I753 V754 I759 D760 F761 V822 V826	L474-I757 HydrophobicContact CD2-CG2 4.23Å; L477-I757 HydrophobicContact CD1-CD1 3.66Å; F725-I757 HydrophobicContact CB-CG1 4.32Å; F725-I757 HydrophobicContact CD1-CG1 3.8Å; F725-I757 HydrophobicContact CD2-CD1 4.18Å; F725-I757 HydrophobicContact CD2-CG1 3.55Å; F725-I757 HydrophobicContact CE1-CB 4.45Å; F725-I757 HydrophobicContact CE1-CG1 3.97Å; F725-I757 HydrophobicContact CE2-CG1 3.74Å; F725-I757 HydrophobicContact CG-CD1 4.44Å; F725-I757 HydrophobicContact CG-CG1 3.59Å; F725-I757 HydrophobicContact CZ-CG1 3.94Å; I753-I757 HydrophobicContact CG2-CD1 3.97Å; I753-I757 WeakPolarHBondContact O-CG1 3.49Å; I753-I757 PolarHBondContact O-N 3.14Å; I753-I757 VanDerWaalsContact O-N 3.07Å; V754-I757 PolarHBondContact O-N 3.26Å; V754-I757 VanDerWaalsContact O-N 3.12Å; I757-I759 VanDerWaalsContact C-N 3.32Å; I757-I759 PolarHBondContact O-N 3.18Å; I757-D760 PolarHBondContact O-N 3.25Å; I757-D760 VanDerWaalsContact O-N 3.15Å; I757-F761 HydrophobicContact CG2-CD1 4.11Å; I757-F761 HydrophobicContact CG2-CD2 4.44Å; I757-F761 HydrophobicContact CG2-CE1 3.83Å; I757-F761 HydrophobicContact CG2-CE2 4.16Å; I757-F761 HydrophobicContact CG2-CG 4.43Å; I757-F761 HydrophobicContact CG2-CZ 3.86Å; I757-F761 PolarHBondContact O-N 2.93Å; I757-V822 HydrophobicContact CB-CG1 3.89Å; I757-V822 HydrophobicContact CD1-CG1 3.9Å; I757-V822 HydrophobicContact CG2-CG1 3.69Å; I757-V822 HydrophobicContact CG2-CG2 3.9Å; I757-V826 HydrophobicContact CD1-CG2 3.75Å
758	L	97.3	Very high	94.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.5	-36.9	178.4	-60.9	-175.2	0	0	0	112.1	V754 R755 T762 L767 L776 F782 V819 V822	V754-L758 HydrophobicContact CG1-CD1 3.95Å; V754-L758 HydrophobicContact CG1-CG 4.13Å; V754-L758 VanDerWaalsContact O-CG 3.31Å; V754-L758 WeakPolarHBondContact O-CG 3.41Å; V754-L758 PolarHBondContact O-N 3.11Å; R755-L758 PolarHBondContact O-N 3.16Å; L758-T762 VanDerWaalsContact O-CB 3.3Å; L758-T762 WeakPolarHBondContact O-CB 3.42Å; L758-T762 PolarHBondContact O-N 3.18Å; L758-T762 PolarHBondContact O-OG1 3.48Å; L758-L767 HydrophobicContact CB-CD2 4.01Å; L758-L767 HydrophobicContact CD2-CD2 3.63Å; L758-L767 HydrophobicContact CG-CD2 4.29Å; L758-L776 HydrophobicContact CB-CD1 4.07Å; L758-L776 HydrophobicContact CD1-CD1 4.44Å; L758-F782 HydrophobicContact CD1-CE1 4.37Å; L758-F782 HydrophobicContact CD1-CE2 3.7Å; L758-F782 HydrophobicContact CD1-CZ 3.48Å; L758-F782 VanDerWaalsContact CD1-CZ 3.48Å; L758-V819 HydrophobicContact CD1-CG1 4.13Å; L758-V819 HydrophobicContact CD1-CG2 3.98Å; L758-V819 HydrophobicContact CD2-CB 4.45Å; L758-V819 HydrophobicContact CD2-CG2 3.87Å; L758-V822 HydrophobicContact CD2-CB 4.17Å; L758-V822 HydrophobicContact CD2-CG1 4.22Å; L758-V822 HydrophobicContact CD2-CG2 4.02Å
759	I	96.9	Very high	94	Very high	21 Å²	21	31.1 Å²	31.1	11%	0.108	14%	0.142	C	C	.	.	H	α-helix	trans	-62	-46	172.5	-76.3	174.7	0	0	0	110.8	R755 N756 I757 T762 K763 I772 L776	R755-I759 WeakPolarHBondContact O-CG1 3.47Å; R755-I759 PolarHBondContact O-N 3.39Å; N756-I759 PolarHBondContact O-N 2.89Å; I757-I759 VanDerWaalsContact C-N 3.32Å; I757-I759 PolarHBondContact O-N 3.18Å; I759-T762 PolarHBondContact O-N 2.9Å; I759-K763 HydrophobicContact CG2-CD 4.16Å; I759-K763 HydrophobicContact CG2-CG 4.48Å; I759-K763 WeakPolarHBondContact O-CG 3.46Å; I759-K763 PolarHBondContact O-N 3Å; I759-I772 HydrophobicContact CG2-CD1 4.43Å; I759-L776 HydrophobicContact CG1-CD2 4.02Å; I759-L776 HydrophobicContact CG1-CG 3.8Å
760	D	97	Very high	93.5	Very high	38 Å²	38	32 Å²	32	20%	0.203	16%	0.156	C	C	.	.	H	α-helix	trans	-62.9	-46.5	178.3	175.2	69.3	0	0	0	111.9	F725 N756 I757 T762 K763 R764	F725-D760 HydrophobicContact CE1-CB 3.92Å; F725-D760 HydrophobicContact CZ-CB 4.37Å; N756-D760 PolarHBondContact O-N 3.39Å; I757-D760 PolarHBondContact O-N 3.25Å; I757-D760 VanDerWaalsContact O-N 3.15Å; D760-T762 VanDerWaalsContact C-N 3.27Å; D760-T762 PolarHBondContact O-N 3.47Å; D760-K763 WeakPolarHBondContact O-CB 3.21Å; D760-K763 PolarHBondContact O-N 2.7Å; D760-K763 VanDerWaalsContact O-N 3.14Å; D760-R764 PolarHBondContact O-N 2.76Å; D760-R764 IonicContact OD1-NE 3.5Å; D760-R764 IonicContact OD2-CZ 3.38Å; D760-R764 IonicContact OD2-NE 3.62Å; D760-R764 PolarHBondContact OD2-NE 2.82Å; D760-R764 IonicContact OD2-NH2 3.64Å; D760-R764 PolarHBondContact OD2-NH2 2.98Å
761	F	96.1	Very high	93.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.6	-42.5	175.7	-77.5	14	0	0	0	111.1	R470 T473 L474 I757 R764 G765 L766 L767 I818 V822	R470-F761 HydrophobicContact CB-CE2 4.07Å; R470-F761 HydrophobicContact CB-CZ 3.89Å; R470-F761 HydrophobicContact CG-CD2 4.15Å; R470-F761 HydrophobicContact CG-CE1 4.49Å; R470-F761 HydrophobicContact CG-CE2 3.74Å; R470-F761 HydrophobicContact CG-CZ 3.91Å; T473-F761 HydrophobicContact CG2-CE1 3.7Å; T473-F761 HydrophobicContact CG2-CZ 4.47Å; L474-F761 HydrophobicContact CD1-CZ 4.41Å; L474-F761 HydrophobicContact CD2-CZ 4.12Å; L474-F761 HydrophobicContact CG-CZ 4.09Å; I757-F761 HydrophobicContact CG2-CD1 4.11Å; I757-F761 HydrophobicContact CG2-CD2 4.44Å; I757-F761 HydrophobicContact CG2-CE1 3.83Å; I757-F761 HydrophobicContact CG2-CE2 4.16Å; I757-F761 HydrophobicContact CG2-CG 4.43Å; I757-F761 HydrophobicContact CG2-CZ 3.86Å; I757-F761 PolarHBondContact O-N 2.93Å; F761-R764 PolarHBondContact O-N 2.88Å; F761-G765 PolarHBondContact O-N 2.89Å; F761-L766 HydrophobicContact CB-CB 4.16Å; F761-L766 HydrophobicContact CD1-CD1 4.38Å; F761-L766 HydrophobicContact CG-CB 4.49Å; F761-L766 WeakPolarHBondContact O-CA 3.41Å; F761-L766 WeakPolarHBondContact O-CB 3.43Å; F761-L766 PolarHBondContact O-N 3.31Å; F761-L767 HydrophobicContact CB-CB 3.86Å; F761-L767 HydrophobicContact CB-CD2 4.4Å; F761-L767 PolarHBondContact O-N 3.43Å; F761-I818 HydrophobicContact CD2-CG2 3.75Å; F761-I818 HydrophobicContact CE2-CG2 3.92Å; F761-V822 HydrophobicContact CD2-CG2 4.24Å; F761-V822 HydrophobicContact CE2-CG2 3.66Å; F761-V822 HydrophobicContact CZ-CG2 4.36Å
762	T	94.1	Very high	92.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65	-43.7	176.5	-53.6	0	0	0	0	111.2	L758 I759 D760 R764 G765 F768 G770 R771 I772	L758-T762 VanDerWaalsContact O-CB 3.3Å; L758-T762 WeakPolarHBondContact O-CB 3.42Å; L758-T762 PolarHBondContact O-N 3.18Å; L758-T762 PolarHBondContact O-OG1 3.48Å; I759-T762 PolarHBondContact O-N 2.9Å; D760-T762 VanDerWaalsContact C-N 3.27Å; D760-T762 PolarHBondContact O-N 3.47Å; T762-R764 PolarHBondContact O-N 2.76Å; T762-G765 PolarHBondContact O-N 2.98Å; T762-F768 HydrophobicContact CG2-CB 4.23Å; T762-F768 WeakPolarHBondContact OG1-CD2 3.38Å; T762-G770 WeakPolarHBondContact O-CA 3.36Å; T762-R771 WeakPolarHBondContact CG2-O 3.32Å; T762-I772 HydrophobicContact CG2-CB 4.41Å; T762-I772 HydrophobicContact CG2-CG1 3.69Å
763	K	93.6	Very high	92.5	Very high	146 Å²	146	43.9 Å²	43.9	64%	0.635	21%	0.209	S	C	*	.	H	α-helix	trans	-58.6	-36.7	176.6	-76.9	174.4	-179.7	174.9	0	112.7	I759 D760 G765 I772	I759-K763 HydrophobicContact CG2-CD 4.16Å; I759-K763 HydrophobicContact CG2-CG 4.48Å; I759-K763 WeakPolarHBondContact O-CG 3.46Å; I759-K763 PolarHBondContact O-N 3Å; D760-K763 WeakPolarHBondContact O-CB 3.21Å; D760-K763 PolarHBondContact O-N 2.7Å; D760-K763 VanDerWaalsContact O-N 3.14Å; K763-G765 VanDerWaalsContact C-N 3.28Å; K763-G765 PolarHBondContact O-N 3.48Å; K763-I772 HydrophobicContact CD-CD1 4.43Å; K763-I772 HydrophobicContact CG-CD1 3.6Å
764	R	90.2	Very high	92.3	Very high	99 Å²	99	50.1 Å²	50.1	37%	0.374	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	3.5	178.8	-65.1	-173	-67.6	153	-2.3	113.9	A469 T473 D760 F761 T762 L766	A469-R764 PolarHBondContact O-NH1 3.48Å; T473-R764 PolarHBondContact OG1-NH1 2.85Å; T473-R764 PolarHBondContact OG1-NH2 3.29Å; D760-R764 PolarHBondContact O-N 2.76Å; D760-R764 IonicContact OD1-NE 3.5Å; D760-R764 IonicContact OD2-CZ 3.38Å; D760-R764 IonicContact OD2-NE 3.62Å; D760-R764 PolarHBondContact OD2-NE 2.82Å; D760-R764 IonicContact OD2-NH2 3.64Å; D760-R764 PolarHBondContact OD2-NH2 2.98Å; F761-R764 PolarHBondContact O-N 2.88Å; T762-R764 PolarHBondContact O-N 2.76Å; R764-L766 HydrophobicContact CB-CD1 4.13Å; R764-L766 HydrophobicContact CB-CG 3.98Å; R764-L766 PolarHBondContact O-N 3.03Å
765	G	86.6	Confident	92	Very high	35 Å²	35	56.6 Å²	56.6	36%	0.361	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	13.9	-178.9	0	0	0	0	0	114.5	F761 T762 K763	F761-G765 PolarHBondContact O-N 2.89Å; T762-G765 PolarHBondContact O-N 2.98Å; K763-G765 VanDerWaalsContact C-N 3.28Å; K763-G765 PolarHBondContact O-N 3.48Å
766	L	88.2	Confident	91.9	Very high	17 Å²	17	56.1 Å²	56.1	9%	0.089	26%	0.261	C	S	.	.	S	Bend	trans	-85	-10.8	-179.8	-55.5	177.7	0	0	0	113.1	Q466 A469 R470 F761 R764	Q466-L766 HydrophobicContact CB-CD2 3.84Å; Q466-L766 HydrophobicContact CG-CD2 3.73Å; A469-L766 HydrophobicContact CB-CD1 4.03Å; A469-L766 HydrophobicContact CB-CD2 4.28Å; R470-L766 HydrophobicContact CG-CB 4.3Å; R470-L766 HydrophobicContact CG-CD1 3.96Å; F761-L766 HydrophobicContact CB-CB 4.16Å; F761-L766 HydrophobicContact CD1-CD1 4.38Å; F761-L766 HydrophobicContact CG-CB 4.49Å; F761-L766 WeakPolarHBondContact O-CA 3.41Å; F761-L766 WeakPolarHBondContact O-CB 3.43Å; F761-L766 PolarHBondContact O-N 3.31Å; R764-L766 HydrophobicContact CB-CD1 4.13Å; R764-L766 HydrophobicContact CB-CG 3.98Å; R764-L766 PolarHBondContact O-N 3.03Å
767	L	89	Confident	91.7	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.01	28%	0.275	C	S	.	.	S	Bend	trans	-150.4	151.4	-175.8	-167.4	71.4	0	0	0	110.8	L758 F761 R769 G770 D815 I818 V819	L758-L767 HydrophobicContact CB-CD2 4.01Å; L758-L767 HydrophobicContact CD2-CD2 3.63Å; L758-L767 HydrophobicContact CG-CD2 4.29Å; F761-L767 HydrophobicContact CB-CB 3.86Å; F761-L767 HydrophobicContact CB-CD2 4.4Å; F761-L767 PolarHBondContact O-N 3.43Å; L767-R769 PolarHBondContact O-N 2.97Å; L767-G770 PolarHBondContact O-N 2.84Å; L767-D815 HydrophobicContact CD1-CB 3.87Å; L767-D815 WeakPolarHBondContact CD1-OD1 3.43Å; L767-I818 HydrophobicContact CD1-CB 3.83Å; L767-I818 HydrophobicContact CD1-CD1 4.15Å; L767-I818 HydrophobicContact CD1-CG2 3.81Å; L767-V819 HydrophobicContact CD1-CG2 4.41Å; L767-V819 HydrophobicContact CD2-CG2 4.26Å
768	F	86.6	Confident	91.5	Very high	16 Å²	16	62.9 Å²	62.9	7%	0.07	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	50.4	34.6	173.4	-54.4	-44.9	0	0	0	113.9	T762 G770 R771 L776 L809 D815 V819	T762-F768 HydrophobicContact CG2-CB 4.23Å; T762-F768 WeakPolarHBondContact OG1-CD2 3.38Å; F768-G770 PolarHBondContact O-N 2.87Å; F768-G770 VanDerWaalsContact O-N 3.09Å; F768-R771 PolarHBondContact O-N 3.41Å; F768-L776 HydrophobicContact CD2-CD2 4.02Å; F768-L776 HydrophobicContact CE2-CD2 4.09Å; F768-L809 HydrophobicContact CZ-CB 4.44Å; F768-L809 HydrophobicContact CZ-CD1 4.31Å; F768-D815 HydrophobicContact CD1-CB 3.9Å; F768-D815 HydrophobicContact CE1-CB 3.72Å; F768-D815 PolarHBondContact N-OD1 2.73Å; F768-V819 HydrophobicContact CZ-CG2 3.9Å
769	R	81.6	Confident	91.3	Very high	197 Å²	197	69.6 Å²	69.6	74%	0.743	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	53.6	29.9	-178.7	-53.9	175.7	178.3	172.3	-2.6	113.7	L767 R771	L767-R769 PolarHBondContact O-N 2.97Å; R769-R771 VanDerWaalsContact C-N 3.3Å; R769-R771 PolarHBondContact O-N 3.13Å
770	G	84.8	Confident	91	Very high	35 Å²	35	70.6 Å²	70.6	36%	0.361	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	79.7	4	-179.6	0	0	0	0	0	115.6	T762 L767 F768	T762-G770 WeakPolarHBondContact O-CA 3.36Å; L767-G770 PolarHBondContact O-N 2.84Å; F768-G770 PolarHBondContact O-N 2.87Å; F768-G770 VanDerWaalsContact O-N 3.09Å
771	R	87.2	Confident	90.8	Very high	185 Å²	185	69.7 Å²	69.7	70%	0.698	33%	0.33	S	S	*	.			trans	-104.9	108.7	-170.6	-62.9	-178.6	-175.5	-179.3	0.3	111.8	T762 F768 R769 S773	T762-R771 WeakPolarHBondContact CG2-O 3.32Å; F768-R771 PolarHBondContact O-N 3.41Å; R769-R771 VanDerWaalsContact C-N 3.3Å; R769-R771 PolarHBondContact O-N 3.13Å; R771-S773 PolarHBondContact O-N 3.09Å
772	I	91.8	Very high	90.7	Very high	53 Å²	53	69.8 Å²	69.8	27%	0.272	33%	0.331	S	S	.	.			trans	-76.9	109.3	175	-52.2	173	0	0	0	109.3	I759 T762 K763 L776 K777	I759-I772 HydrophobicContact CG2-CD1 4.43Å; T762-I772 HydrophobicContact CG2-CB 4.41Å; T762-I772 HydrophobicContact CG2-CG1 3.69Å; K763-I772 HydrophobicContact CD-CD1 4.43Å; K763-I772 HydrophobicContact CG-CD1 3.6Å; I772-L776 HydrophobicContact CG2-CD2 4.41Å; I772-K777 HydrophobicContact CG2-CD 4.38Å; I772-K777 HydrophobicContact CG2-CG 3.78Å
773	S	91.3	Very high	90.6	Very high	40 Å²	40	75.3 Å²	75.3	28%	0.28	36%	0.357	S	S	.	.			trans	-73.1	156.1	174.4	71.8	0	0	0	0	112.1	R771 R775 L776 K777 L809	R771-S773 PolarHBondContact O-N 3.09Å; S773-R775 PolarHBondContact O-N 3.44Å; S773-L776 PolarHBondContact O-N 3.16Å; S773-L776 VanDerWaalsContact O-N 3.15Å; S773-L776 WeakPolarHBondContact OG-CB 3.49Å; S773-L776 PolarHBondContact OG-N 3.37Å; S773-L776 VanDerWaalsContact OG-N 3.09Å; S773-K777 PolarHBondContact O-N 3.1Å; S773-L809 WeakPolarHBondContact OG-CD2 3.41Å
774	E	92.8	Very high	90.3	Very high	132 Å²	132	69.3 Å²	69.3	62%	0.617	33%	0.332	S	S	*	.	H	α-helix	trans	-61.1	-32.3	173	-69.4	-53.5	126.7	0	0	112	K777 T778	E774-K777 PolarHBondContact O-N 3.3Å; E774-K777 IonicContact OE1-NZ 2.82Å; E774-K777 PolarHBondContact OE1-NZ 3.23Å; E774-K777 IonicContact OE2-NZ 3.8Å; E774-T778 PolarHBondContact O-N 3.12Å; E774-T778 PolarHBondContact O-OG1 3.41Å; E774-T778 VanDerWaalsContact O-OG1 3.05Å
775	R	93.8	Very high	90.2	Very high	137 Å²	137	70 Å²	70	52%	0.517	34%	0.338	S	S	.	.	H	α-helix	trans	-61.2	-46.2	172.9	-73.4	-62.7	-152.1	-179.5	8.8	111.7	S773 K777 T778 I781 L807 L809	S773-R775 PolarHBondContact O-N 3.44Å; R775-K777 PolarHBondContact O-N 3.42Å; R775-T778 WeakPolarHBondContact O-CB 3.26Å; R775-T778 PolarHBondContact O-N 3.11Å; R775-T778 PolarHBondContact O-OG1 2.79Å; R775-I781 HydrophobicContact CB-CD1 3.87Å; R775-I781 WeakPolarHBondContact O-CD1 3.37Å; R775-L807 WeakPolarHBondContact CG-O 3.27Å; R775-L809 HydrophobicContact CB-CD2 4.02Å
776	L	94.8	Very high	90.4	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-64.1	-25.8	178.5	-171.2	61	0	0	0	113	R755 L758 I759 F768 I772 S773 T778 F782 L809	R755-L776 WeakPolarHBondContact CD-O 3.44Å; R755-L776 HydrophobicContact CG-CD1 4.29Å; R755-L776 WeakPolarHBondContact CG-O 3.47Å; R755-L776 PolarHBondContact NH1-O 3.31Å; L758-L776 HydrophobicContact CB-CD1 4.07Å; L758-L776 HydrophobicContact CD1-CD1 4.44Å; I759-L776 HydrophobicContact CG1-CD2 4.02Å; I759-L776 HydrophobicContact CG1-CG 3.8Å; F768-L776 HydrophobicContact CD2-CD2 4.02Å; F768-L776 HydrophobicContact CE2-CD2 4.09Å; I772-L776 HydrophobicContact CG2-CD2 4.41Å; S773-L776 PolarHBondContact O-N 3.16Å; S773-L776 VanDerWaalsContact O-N 3.15Å; S773-L776 WeakPolarHBondContact OG-CB 3.49Å; S773-L776 PolarHBondContact OG-N 3.37Å; S773-L776 VanDerWaalsContact OG-N 3.09Å; L776-T778 VanDerWaalsContact C-N 3.31Å; L776-F782 HydrophobicContact CD1-CE2 4.27Å; L776-L809 HydrophobicContact CB-CD2 3.94Å; L776-L809 HydrophobicContact CD1-CD2 4.43Å
777	K	93.8	Very high	90.5	Very high	102 Å²	102	69.1 Å²	69.1	44%	0.443	32%	0.324	S	S	.	.	H	α-helix	trans	-76.5	-17.4	173.4	-62.2	175.5	-170.7	168.8	0	113.3	I772 S773 E774 R775 R779	I772-K777 HydrophobicContact CG2-CD 4.38Å; I772-K777 HydrophobicContact CG2-CG 3.78Å; S773-K777 PolarHBondContact O-N 3.1Å; E774-K777 PolarHBondContact O-N 3.3Å; E774-K777 IonicContact OE1-NZ 2.82Å; E774-K777 PolarHBondContact OE1-NZ 3.23Å; E774-K777 IonicContact OE2-NZ 3.8Å; R775-K777 PolarHBondContact O-N 3.42Å; K777-R779 PolarHBondContact O-N 3.15Å
778	T	94.3	Very high	90.5	Very high	66 Å²	66	69.6 Å²	69.6	41%	0.405	33%	0.327	S	S	.	.	S	Bend	trans	-73.2	118.1	-178.1	-55.8	0	0	0	0	109.9	R755 E774 R775 L776 I781	R755-T778 WeakPolarHBondContact CD-O 3.48Å; E774-T778 PolarHBondContact O-N 3.12Å; E774-T778 PolarHBondContact O-OG1 3.41Å; E774-T778 VanDerWaalsContact O-OG1 3.05Å; R775-T778 WeakPolarHBondContact O-CB 3.26Å; R775-T778 PolarHBondContact O-N 3.11Å; R775-T778 PolarHBondContact O-OG1 2.79Å; L776-T778 VanDerWaalsContact C-N 3.31Å; T778-I781 WeakPolarHBondContact O-CB 3.39Å; T778-I781 WeakPolarHBondContact O-CG2 3.5Å
779	R	92.9	Very high	90.7	Very high	141 Å²	141	72 Å²	72	53%	0.532	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	145.3	176.8	-61.3	-172.7	-174.5	-178.6	0.9	111	L732 E752 K777 I781	L732-R779 PolarHBondContact O-NH1 3.03Å; E752-R779 WeakPolarHBondContact OE1-CA 3.19Å; K777-R779 PolarHBondContact O-N 3.15Å; R779-I781 VanDerWaalsContact C-N 3.25Å; R779-I781 PolarHBondContact O-N 2.99Å
780	G	89.8	Confident	91	Very high	42 Å²	42	62.7 Å²	62.7	43%	0.433	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	7.6	179.3	0	0	0	0	0	114.4	E752 F782	E752-G780 PolarHBondContact OE1-N 3.47Å; G780-F782 PolarHBondContact O-N 3.32Å
781	I	94.4	Very high	91.2	Very high	18 Å²	18	61.2 Å²	61.2	9%	0.092	29%	0.287	C	S	.	.			trans	-63	-28.7	-179.4	-167.9	167.6	0	0	0	113.3	R755 R775 T778 R779 E783 L807	R755-I781 HydrophobicContact CG-CG2 4.27Å; R775-I781 HydrophobicContact CB-CD1 3.87Å; R775-I781 WeakPolarHBondContact O-CD1 3.37Å; T778-I781 WeakPolarHBondContact O-CB 3.39Å; T778-I781 WeakPolarHBondContact O-CG2 3.5Å; R779-I781 VanDerWaalsContact C-N 3.25Å; R779-I781 PolarHBondContact O-N 2.99Å; I781-E783 PolarHBondContact O-N 3.27Å; I781-L807 HydrophobicContact CD1-CB 4.28Å; I781-L807 HydrophobicContact CG1-CB 4.31Å; I781-L807 HydrophobicContact CG1-CD2 4.14Å
782	F	93.4	Very high	91.2	Very high	3 Å²	3	54 Å²	54	1%	0.013	27%	0.265	C	S	.	.	S	Bend	trans	-97.9	73.1	176.1	-69.7	-77.9	0	0	0	110.9	G751 V754 R755 L758 L776 G780 L787 I790 L804 L807 L809	G751-F782 VanDerWaalsContact CA-O 3.27Å; G751-F782 WeakPolarHBondContact CA-O 3.3Å; V754-F782 HydrophobicContact CG1-CD2 4.48Å; R755-F782 HydrophobicContact CB-CD2 4.02Å; R755-F782 HydrophobicContact CB-CE2 4.39Å; R755-F782 HydrophobicContact CG-CD2 4.34Å; R755-F782 HydrophobicContact CG-CE2 4.42Å; L758-F782 HydrophobicContact CD1-CE1 4.37Å; L758-F782 HydrophobicContact CD1-CE2 3.7Å; L758-F782 HydrophobicContact CD1-CZ 3.48Å; L758-F782 VanDerWaalsContact CD1-CZ 3.48Å; L776-F782 HydrophobicContact CD1-CE2 4.27Å; G780-F782 PolarHBondContact O-N 3.32Å; F782-L787 HydrophobicContact CB-CD2 4.27Å; F782-I790 HydrophobicContact CD1-CD1 4.38Å; F782-I790 HydrophobicContact CE1-CD1 4.29Å; F782-L804 HydrophobicContact CE1-CD2 4.09Å; F782-L807 HydrophobicContact CD1-CD1 4.16Å; F782-L807 HydrophobicContact CE1-CD1 3.97Å; F782-L809 HydrophobicContact CE1-CD1 4.45Å; F782-L809 HydrophobicContact CE2-CD1 4.42Å; F782-L809 HydrophobicContact CZ-CD1 3.69Å
783	E	91.4	Very high	90.4	Very high	116 Å²	116	57.2 Å²	57.2	54%	0.542	28%	0.283	S	S	.	.			trans	-61.4	156.5	172.3	-61.4	176.7	-148.3	0	0	111.7	I781 K785 F786 L787	I781-E783 PolarHBondContact O-N 3.27Å; E783-K785 PolarHBondContact O-N 3.4Å; E783-F786 HydrophobicContact CB-CD2 3.96Å; E783-F786 HydrophobicContact CB-CE2 4.44Å; E783-F786 HydrophobicContact CG-CD2 4.43Å; E783-F786 PolarHBondContact O-N 3.07Å; E783-L787 PolarHBondContact O-N 2.78Å; E783-L787 VanDerWaalsContact O-N 3.12Å
784	T	87	Confident	89.5	Confident	19 Å²	19	60.9 Å²	60.9	12%	0.117	31%	0.307	C	S	.	.	H	α-helix	trans	-50.5	-36.2	177.8	-51.3	0	0	0	0	113.1	G747 L787 S788 L864	G747-T784 VanDerWaalsContact CA-OG1 3.26Å; G747-T784 WeakPolarHBondContact CA-OG1 3.25Å; G747-T784 PolarHBondContact O-OG1 3.47Å; G747-T784 VanDerWaalsContact O-OG1 3.14Å; T784-L787 PolarHBondContact O-N 2.85Å; T784-S788 WeakPolarHBondContact O-CB 3.48Å; T784-S788 PolarHBondContact O-N 3.37Å; T784-S788 PolarHBondContact O-OG 3.34Å; T784-L864 HydrophobicContact CG2-CB 3.85Å; T784-L864 HydrophobicContact CG2-CD1 3.72Å; T784-L864 HydrophobicContact CG2-CG 4.39Å
785	K	89.3	Confident	88.2	Confident	115 Å²	115	56.7 Å²	56.7	50%	0.5	29%	0.289	S	S	.	.	H	α-helix	trans	-59.6	-46.3	175.6	179	-176.1	174	-174.5	0	111.8	E783 S788 Q789	E783-K785 PolarHBondContact O-N 3.4Å; K785-S788 PolarHBondContact O-N 3.39Å; K785-Q789 WeakPolarHBondContact O-CB 3.4Å; K785-Q789 VanDerWaalsContact O-CG 3.25Å; K785-Q789 WeakPolarHBondContact O-CG 3.44Å; K785-Q789 PolarHBondContact O-N 2.9Å
786	F	90.1	Very high	86.9	Confident	27 Å²	27	52.3 Å²	52.3	12%	0.118	28%	0.282	C	S	.	.	H	α-helix	trans	-71.5	-39	-178.5	-64.9	-60.9	0	0	0	111.8	E783 S788 Q789 I790 I803 L807	E783-F786 HydrophobicContact CB-CD2 3.96Å; E783-F786 HydrophobicContact CB-CE2 4.44Å; E783-F786 HydrophobicContact CG-CD2 4.43Å; E783-F786 PolarHBondContact O-N 3.07Å; F786-S788 VanDerWaalsContact C-N 3.33Å; F786-S788 PolarHBondContact O-N 3.27Å; F786-Q789 PolarHBondContact O-N 3.2Å; F786-I790 WeakPolarHBondContact O-CB 3.18Å; F786-I790 WeakPolarHBondContact O-CD1 3.13Å; F786-I790 WeakPolarHBondContact O-CG1 3.29Å; F786-I790 PolarHBondContact O-N 2.94Å; F786-I803 HydrophobicContact CD1-CG2 3.74Å; F786-I803 HydrophobicContact CE1-CG2 4.44Å; F786-L807 HydrophobicContact CD1-CD2 4.37Å; F786-L807 HydrophobicContact CD2-CD2 3.83Å; F786-L807 HydrophobicContact CE1-CD2 4.18Å; F786-L807 HydrophobicContact CE2-CD2 3.63Å; F786-L807 HydrophobicContact CG-CD1 4.36Å; F786-L807 HydrophobicContact CG-CD2 4.2Å; F786-L807 HydrophobicContact CZ-CD2 3.81Å
787	L	90.3	Very high	85.6	Confident	6 Å²	6	53.1 Å²	53.1	3%	0.031	29%	0.286	C	S	.	.	H	α-helix	trans	-56.9	-49.1	172.1	-65.4	174.4	0	0	0	110.9	L750 V754 F782 E783 T784 Q789 I790 E791 C823	L750-L787 HydrophobicContact CB-CD1 3.91Å; V754-L787 HydrophobicContact CB-CD2 4.47Å; V754-L787 HydrophobicContact CG2-CD2 4.01Å; F782-L787 HydrophobicContact CB-CD2 4.27Å; E783-L787 PolarHBondContact O-N 2.78Å; E783-L787 VanDerWaalsContact O-N 3.12Å; T784-L787 PolarHBondContact O-N 2.85Å; L787-Q789 VanDerWaalsContact C-N 3.31Å; L787-Q789 PolarHBondContact O-N 2.76Å; L787-I790 PolarHBondContact O-N 2.89Å; L787-E791 PolarHBondContact O-N 3.21Å; L787-E791 VanDerWaalsContact O-N 3.16Å; L787-C823 HydrophobicContact CD2-CB 4.43Å
788	S	90.3	Very high	84.2	Confident	11 Å²	11	52.3 Å²	52.3	8%	0.077	29%	0.286	C	S	.	.	H	α-helix	trans	-63	-37.1	179.4	-53.9	0	0	0	0	112.5	T784 K785 F786 S792 L867	T784-S788 WeakPolarHBondContact O-CB 3.48Å; T784-S788 PolarHBondContact O-N 3.37Å; T784-S788 PolarHBondContact O-OG 3.34Å; K785-S788 PolarHBondContact O-N 3.39Å; F786-S788 VanDerWaalsContact C-N 3.33Å; F786-S788 PolarHBondContact O-N 3.27Å; S788-S792 PolarHBondContact O-N 3.13Å; S788-L867 WeakPolarHBondContact CB-O 2.85Å
789	Q	89.4	Confident	83.2	Confident	68 Å²	68	53.6 Å²	53.6	32%	0.318	29%	0.287	S	S	.	.	H	α-helix	trans	-68.1	-49.8	175.4	-74	176.2	-18.8	0	0	111.3	K785 F786 L787 E791 S792 L795 I803	K785-Q789 WeakPolarHBondContact O-CB 3.4Å; K785-Q789 VanDerWaalsContact O-CG 3.25Å; K785-Q789 WeakPolarHBondContact O-CG 3.44Å; K785-Q789 PolarHBondContact O-N 2.9Å; F786-Q789 PolarHBondContact O-N 3.2Å; L787-Q789 VanDerWaalsContact C-N 3.31Å; L787-Q789 PolarHBondContact O-N 2.76Å; Q789-E791 PolarHBondContact O-N 3.47Å; Q789-S792 VanDerWaalsContact O-CB 3.28Å; Q789-S792 WeakPolarHBondContact O-CB 3.37Å; Q789-S792 PolarHBondContact O-N 3.23Å; Q789-L795 WeakPolarHBondContact O-CD1 3.26Å; Q789-I803 HydrophobicContact CB-CD1 3.72Å
790	I	89.1	Confident	82.6	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-55.7	-36.5	-178.8	-71.6	164.2	0	0	0	111.8	F782 F786 L787 V800 I803 L804 V819 K820 C823	F782-I790 HydrophobicContact CD1-CD1 4.38Å; F782-I790 HydrophobicContact CE1-CD1 4.29Å; F786-I790 WeakPolarHBondContact O-CB 3.18Å; F786-I790 WeakPolarHBondContact O-CD1 3.13Å; F786-I790 WeakPolarHBondContact O-CG1 3.29Å; F786-I790 PolarHBondContact O-N 2.94Å; L787-I790 PolarHBondContact O-N 2.89Å; I790-V800 HydrophobicContact CG1-CG1 4.39Å; I790-V800 HydrophobicContact CG2-CG1 4.08Å; I790-I803 HydrophobicContact CG1-CG2 4.26Å; I790-L804 HydrophobicContact CD1-CD2 4.18Å; I790-V819 HydrophobicContact CD1-CG1 4.46Å; I790-K820 HydrophobicContact CG2-CB 4.02Å; I790-K820 HydrophobicContact CG2-CG 4.19Å; I790-C823 HydrophobicContact CG2-CB 4.41Å
791	E	88.8	Confident	82.1	Confident	4 Å²	4	49 Å²	49	2%	0.019	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	0.7	-179	-68.2	-155.7	-126.8	0	0	115.2	L787 Q789 D793 C823 T824 A827 H868 P869 H870	L787-E791 PolarHBondContact O-N 3.21Å; L787-E791 VanDerWaalsContact O-N 3.16Å; Q789-E791 PolarHBondContact O-N 3.47Å; E791-D793 PolarHBondContact O-N 3.05Å; E791-C823 HydrophobicContact CG-CB 3.91Å; E791-C823 VanDerWaalsContact OE1-O 3.11Å; E791-T824 VanDerWaalsContact CD-CA 3.48Å; E791-T824 WeakPolarHBondContact OE1-CA 3.41Å; E791-T824 PolarHBondContact OE1-N 3.31Å; E791-T824 WeakPolarHBondContact OE2-CA 3.45Å; E791-T824 WeakPolarHBondContact OE2-CB 3.35Å; E791-T824 PolarHBondContact OE2-OG1 3.36Å; E791-A827 VanDerWaalsContact OE1-CB 3.26Å; E791-A827 WeakPolarHBondContact OE1-CB 3.33Å; E791-H868 IonicContact OE1-CE1 2.74Å; E791-H868 IonicContact OE1-NE2 3.67Å; E791-H868 PolarHBondContact OE1-NE2 2.94Å; E791-H868 VanDerWaalsContact OE1-NE2 3.16Å; E791-H868 IonicContact OE2-CE1 2.85Å; E791-P869 HydrophobicContact CB-CG 3.87Å; E791-P869 WeakPolarHBondContact O-CG 3.36Å; E791-H870 PolarHBondContact O-NE2 3.16Å; E791-H870 IonicContact OE2-CD2 2.97Å
792	S	85.9	Confident	81.4	Confident	33 Å²	33	50.5 Å²	50.5	23%	0.231	27%	0.272	C	S	.	.			trans	-65.5	127.8	-178.6	-177.3	0	0	0	0	111.9	S788 Q789 C794 L795	S788-S792 PolarHBondContact O-N 3.13Å; Q789-S792 VanDerWaalsContact O-CB 3.28Å; Q789-S792 WeakPolarHBondContact O-CB 3.37Å; Q789-S792 PolarHBondContact O-N 3.23Å; S792-C794 PolarHBondContact O-N 3.19Å; S792-L795 PolarHBondContact O-N 3.44Å
793	D	75.2	Confident	81.1	Confident	122 Å²	122	51.4 Å²	51.4	65%	0.652	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.8	177.7	-62.7	-22.2	0	0	0	113	E791 L795 H870	E791-D793 PolarHBondContact O-N 3.05Å; D793-L795 VanDerWaalsContact C-N 3.34Å; D793-H870 IonicContact OD1-CE1 2.66Å; D793-H870 PolarHBondContact OD1-CE1 3.2Å; D793-H870 IonicContact OD1-NE2 2.71Å; D793-H870 PolarHBondContact OD1-NE2 3.24Å; D793-H870 IonicContact OD2-CE1 3.13Å; D793-H870 PolarHBondContact OD2-CE1 3.49Å; D793-H870 VanDerWaalsContact OD2-CE1 3.31Å
794	C	72	Confident	80.9	Confident	117 Å²	117	45.9 Å²	45.9	79%	0.791	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-4	-178.8	-61.7	0	0	0	0	113.2	S792	S792-C794 PolarHBondContact O-N 3.19Å
795	L	66.4	Low	80.8	Confident	44 Å²	44	49.4 Å²	49.4	23%	0.23	27%	0.266	C	S	.	.			trans	-94.6	127.5	179.8	-68.3	-174.6	0	0	0	111.8	Q789 S792 D793 Q799 I803	Q789-L795 WeakPolarHBondContact O-CD1 3.26Å; S792-L795 PolarHBondContact O-N 3.44Å; D793-L795 VanDerWaalsContact C-N 3.34Å; L795-Q799 VanDerWaalsContact CA-OE1 3.28Å; L795-Q799 HydrophobicContact CB-CB 4.29Å; L795-Q799 HydrophobicContact CD1-CB 4.43Å; L795-Q799 HydrophobicContact CD2-CB 3.96Å; L795-Q799 HydrophobicContact CD2-CG 4.33Å; L795-Q799 HydrophobicContact CG-CB 4.46Å; L795-I803 HydrophobicContact CD1-CD1 3.97Å
796	A	66.6	Low	80.7	Confident	45 Å²	45	50.9 Å²	50.9	37%	0.372	28%	0.275	S	S	.	.			trans	-68.4	152.3	164.4	0	0	0	0	0	109.9	L798 Q799 V800	A796-L798 PolarHBondContact O-N 3.41Å; A796-L798 VanDerWaalsContact O-N 3.08Å; A796-Q799 VanDerWaalsContact N-OE1 3.1Å; A796-Q799 WeakPolarHBondContact O-CA 3.42Å; A796-Q799 WeakPolarHBondContact O-CB 3.47Å; A796-Q799 PolarHBondContact O-N 3.09Å; A796-V800 PolarHBondContact O-N 3.32Å
797	L	67.9	Low	80.7	Confident	16 Å²	16	50.2 Å²	50.2	8%	0.084	27%	0.272	C	S	.	.	H	α-helix	trans	-58.9	-27.3	-179.3	-74.9	112.4	0	0	0	114.6	D251 E252 Q799 V800 R801 I817	D251-L797 WeakPolarHBondContact OD1-CD1 3.35Å; E252-L797 HydrophobicContact CB-CD1 4.47Å; E252-L797 HydrophobicContact CG-CD1 3.12Å; E252-L797 HydrophobicContact CG-CD2 3.68Å; E252-L797 HydrophobicContact CG-CG 3.9Å; E252-L797 VanDerWaalsContact OE1-CD1 3.27Å; E252-L797 WeakPolarHBondContact OE1-CD1 3.41Å; E252-L797 VanDerWaalsContact OE1-CD2 3.23Å; E252-L797 WeakPolarHBondContact OE1-CD2 3.36Å; L797-Q799 PolarHBondContact O-N 3.45Å; L797-V800 WeakPolarHBondContact O-CB 3.47Å; L797-V800 PolarHBondContact O-N 3.12Å; L797-R801 WeakPolarHBondContact O-CB 3.33Å; L797-R801 PolarHBondContact O-N 2.9Å; L797-I817 HydrophobicContact CD2-CG1 3.5Å
798	L	63.4	Low	80.5	Confident	86 Å²	86	51.6 Å²	51.6	45%	0.45	29%	0.288	S	S	.	.	H	α-helix	trans	-59.5	-32.6	173.3	-68.9	166.4	0	0	0	112	R243 A796 A802	R243-L798 VanDerWaalsContact NH1-CD1 3.26Å; A796-L798 PolarHBondContact O-N 3.41Å; A796-L798 VanDerWaalsContact O-N 3.08Å; L798-A802 WeakPolarHBondContact O-CB 3.49Å; L798-A802 PolarHBondContact O-N 3.36Å
799	Q	74.1	Confident	80.4	Confident	92 Å²	92	51.2 Å²	51.2	43%	0.43	29%	0.285	S	S	.	.	H	α-helix	trans	-77	-38.1	176.2	-66	168.5	-43.9	0	0	111.3	L795 A796 L797 R801 A802 I803	L795-Q799 VanDerWaalsContact CA-OE1 3.28Å; L795-Q799 HydrophobicContact CB-CB 4.29Å; L795-Q799 HydrophobicContact CD1-CB 4.43Å; L795-Q799 HydrophobicContact CD2-CB 3.96Å; L795-Q799 HydrophobicContact CD2-CG 4.33Å; L795-Q799 HydrophobicContact CG-CB 4.46Å; A796-Q799 VanDerWaalsContact N-OE1 3.1Å; A796-Q799 WeakPolarHBondContact O-CA 3.42Å; A796-Q799 WeakPolarHBondContact O-CB 3.47Å; A796-Q799 PolarHBondContact O-N 3.09Å; L797-Q799 PolarHBondContact O-N 3.45Å; Q799-R801 VanDerWaalsContact C-N 3.32Å; Q799-R801 PolarHBondContact O-N 3.4Å; Q799-A802 WeakPolarHBondContact O-CB 3.29Å; Q799-A802 PolarHBondContact O-N 2.99Å; Q799-I803 VanDerWaalsContact O-CG1 3.31Å; Q799-I803 WeakPolarHBondContact O-CG1 3.36Å; Q799-I803 PolarHBondContact O-N 3.01Å
800	V	80.2	Confident	80	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-57.9	-47.9	170.6	-179.3	0	0	0	0	110.1	I790 A796 L797 A802 I803 L804	I790-V800 HydrophobicContact CG1-CG1 4.39Å; I790-V800 HydrophobicContact CG2-CG1 4.08Å; A796-V800 PolarHBondContact O-N 3.32Å; L797-V800 WeakPolarHBondContact O-CB 3.47Å; L797-V800 PolarHBondContact O-N 3.12Å; V800-A802 VanDerWaalsContact C-N 3.33Å; V800-A802 PolarHBondContact O-N 3.15Å; V800-I803 WeakPolarHBondContact O-CB 3.42Å; V800-I803 PolarHBondContact O-N 2.93Å; V800-I803 VanDerWaalsContact O-N 3.17Å; V800-L804 HydrophobicContact CG1-CD1 4.47Å; V800-L804 WeakPolarHBondContact O-CG 3.44Å; V800-L804 PolarHBondContact O-N 3.46Å
801	R	79	Confident	79.3	Confident	86 Å²	86	56.5 Å²	56.5	33%	0.325	31%	0.31	S	S	.	.	H	α-helix	trans	-58.7	-43.7	174.7	-171.6	-178	177.5	-157	-7.8	112	L797 Q799 I803 L804 Q805 S811 S816	L797-R801 WeakPolarHBondContact O-CB 3.33Å; L797-R801 PolarHBondContact O-N 2.9Å; Q799-R801 VanDerWaalsContact C-N 3.32Å; Q799-R801 PolarHBondContact O-N 3.4Å; R801-I803 VanDerWaalsContact C-N 3.31Å; R801-I803 PolarHBondContact O-N 3.22Å; R801-L804 PolarHBondContact O-N 3.02Å; R801-Q805 HydrophobicContact CG-CG 4.48Å; R801-Q805 WeakPolarHBondContact O-CB 3.31Å; R801-Q805 VanDerWaalsContact O-CG 3.3Å; R801-Q805 WeakPolarHBondContact O-CG 3.33Å; R801-Q805 PolarHBondContact O-N 2.64Å; R801-S811 PolarHBondContact NE-O 2.91Å; R801-S816 WeakPolarHBondContact CA-OG 3.4Å; R801-S816 WeakPolarHBondContact CB-OG 3.22Å
802	A	79.2	Confident	78.5	Confident	50 Å²	50	58.4 Å²	58.4	41%	0.413	32%	0.322	S	S	.	.	H	α-helix	trans	-62.2	-37.9	177.3	0	0	0	0	0	112.2	L798 Q799 V800 Q805 H806	L798-A802 WeakPolarHBondContact O-CB 3.49Å; L798-A802 PolarHBondContact O-N 3.36Å; Q799-A802 WeakPolarHBondContact O-CB 3.29Å; Q799-A802 PolarHBondContact O-N 2.99Å; V800-A802 VanDerWaalsContact C-N 3.33Å; V800-A802 PolarHBondContact O-N 3.15Å; A802-Q805 PolarHBondContact O-N 2.81Å; A802-H806 VanDerWaalsContact O-CB 3.31Å; A802-H806 WeakPolarHBondContact O-CB 3.39Å; A802-H806 PolarHBondContact O-N 3.12Å
803	I	87.3	Confident	77.6	Confident	23 Å²	23	58 Å²	58	12%	0.118	32%	0.319	C	S	.	.	H	α-helix	trans	-63.4	-48.4	173.7	-66.8	159.5	0	0	0	110.2	F786 Q789 I790 L795 Q799 V800 R801 Q805 H806 L807	F786-I803 HydrophobicContact CD1-CG2 3.74Å; F786-I803 HydrophobicContact CE1-CG2 4.44Å; Q789-I803 HydrophobicContact CB-CD1 3.72Å; I790-I803 HydrophobicContact CG1-CG2 4.26Å; L795-I803 HydrophobicContact CD1-CD1 3.97Å; Q799-I803 VanDerWaalsContact O-CG1 3.31Å; Q799-I803 WeakPolarHBondContact O-CG1 3.36Å; Q799-I803 PolarHBondContact O-N 3.01Å; V800-I803 WeakPolarHBondContact O-CB 3.42Å; V800-I803 PolarHBondContact O-N 2.93Å; V800-I803 VanDerWaalsContact O-N 3.17Å; R801-I803 VanDerWaalsContact C-N 3.31Å; R801-I803 PolarHBondContact O-N 3.22Å; I803-Q805 VanDerWaalsContact C-N 3.33Å; I803-Q805 PolarHBondContact O-N 2.79Å; I803-H806 WeakPolarHBondContact O-CB 3.34Å; I803-H806 PolarHBondContact O-N 3.23Å; I803-H806 VanDerWaalsContact O-N 3.12Å; I803-L807 HydrophobicContact CG2-CD1 4.4Å; I803-L807 WeakPolarHBondContact O-CG 3.5Å; I803-L807 PolarHBondContact O-N 3.07Å
804	L	87.8	Confident	77.5	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.5	-41.4	178.3	-63.7	178.2	0	0	0	111.9	F782 I790 V800 R801 H806 L807 G808 L809 S811 V819	F782-L804 HydrophobicContact CE1-CD2 4.09Å; I790-L804 HydrophobicContact CD1-CD2 4.18Å; V800-L804 HydrophobicContact CG1-CD1 4.47Å; V800-L804 WeakPolarHBondContact O-CG 3.44Å; V800-L804 PolarHBondContact O-N 3.46Å; R801-L804 PolarHBondContact O-N 3.02Å; L804-H806 VanDerWaalsContact C-N 3.34Å; L804-H806 PolarHBondContact O-N 3.19Å; L804-L807 WeakPolarHBondContact O-CB 3.39Å; L804-L807 PolarHBondContact O-N 3.42Å; L804-G808 PolarHBondContact O-N 3.14Å; L804-L809 CarbonylContact C-O 3.44Å; L804-L809 HydrophobicContact CB-CB 4.38Å; L804-L809 HydrophobicContact CD2-CD1 4.25Å; L804-L809 WeakPolarHBondContact O-CA 3.49Å; L804-L809 WeakPolarHBondContact O-CB 3.29Å; L804-L809 PolarHBondContact O-N 2.99Å; L804-S811 WeakPolarHBondContact CB-OG 3.4Å; L804-V819 HydrophobicContact CD1-CB 4.12Å; L804-V819 HydrophobicContact CD1-CG1 4.29Å; L804-V819 HydrophobicContact CD1-CG2 4.08Å; L804-V819 HydrophobicContact CD2-CG1 3.85Å
805	Q	84.7	Confident	78.1	Confident	93 Å²	93	50.8 Å²	50.8	44%	0.435	27%	0.273	S	S	.	.	H	α-helix	trans	-64.3	-38	174	-73.2	178.1	-11.2	0	0	112.2	R801 A802 I803 L807 G808	R801-Q805 HydrophobicContact CG-CG 4.48Å; R801-Q805 WeakPolarHBondContact O-CB 3.31Å; R801-Q805 VanDerWaalsContact O-CG 3.3Å; R801-Q805 WeakPolarHBondContact O-CG 3.33Å; R801-Q805 PolarHBondContact O-N 2.64Å; A802-Q805 PolarHBondContact O-N 2.81Å; I803-Q805 VanDerWaalsContact C-N 3.33Å; I803-Q805 PolarHBondContact O-N 2.79Å; Q805-L807 VanDerWaalsContact C-N 3.29Å; Q805-L807 PolarHBondContact O-N 2.76Å; Q805-G808 WeakPolarHBondContact O-CA 3.4Å; Q805-G808 PolarHBondContact O-N 3.43Å
806	H	87.7	Confident	78.9	Confident	145 Å²	145	48.7 Å²	48.7	67%	0.671	26%	0.262	S	S	*	.	H	α-helix	trans	-63.1	-36.2	174.3	-176.2	73.2	0	0	0	112.1	A802 I803 L804 G808	A802-H806 VanDerWaalsContact O-CB 3.31Å; A802-H806 WeakPolarHBondContact O-CB 3.39Å; A802-H806 PolarHBondContact O-N 3.12Å; I803-H806 WeakPolarHBondContact O-CB 3.34Å; I803-H806 PolarHBondContact O-N 3.23Å; I803-H806 VanDerWaalsContact O-N 3.12Å; L804-H806 VanDerWaalsContact C-N 3.34Å; L804-H806 PolarHBondContact O-N 3.19Å; H806-G808 PolarHBondContact O-N 2.71Å
807	L	88.9	Confident	79.6	Confident	14 Å²	14	48.7 Å²	48.7	7%	0.073	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-6.4	170.5	-63.5	175.1	0	0	0	112.9	R775 I781 F782 F786 I803 L804 Q805 L809	R775-L807 WeakPolarHBondContact CG-O 3.27Å; I781-L807 HydrophobicContact CD1-CB 4.28Å; I781-L807 HydrophobicContact CG1-CB 4.31Å; I781-L807 HydrophobicContact CG1-CD2 4.14Å; F782-L807 HydrophobicContact CD1-CD1 4.16Å; F782-L807 HydrophobicContact CE1-CD1 3.97Å; F786-L807 HydrophobicContact CD1-CD2 4.37Å; F786-L807 HydrophobicContact CD2-CD2 3.83Å; F786-L807 HydrophobicContact CE1-CD2 4.18Å; F786-L807 HydrophobicContact CE2-CD2 3.63Å; F786-L807 HydrophobicContact CG-CD1 4.36Å; F786-L807 HydrophobicContact CG-CD2 4.2Å; F786-L807 HydrophobicContact CZ-CD2 3.81Å; I803-L807 HydrophobicContact CG2-CD1 4.4Å; I803-L807 WeakPolarHBondContact O-CG 3.5Å; I803-L807 PolarHBondContact O-N 3.07Å; L804-L807 WeakPolarHBondContact O-CB 3.39Å; L804-L807 PolarHBondContact O-N 3.42Å; Q805-L807 VanDerWaalsContact C-N 3.29Å; Q805-L807 PolarHBondContact O-N 2.76Å; L807-L809 HydrophobicContact CB-CG 4.39Å
808	G	87.7	Confident	80.7	Confident	34 Å²	34	48.6 Å²	48.6	35%	0.351	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	27.8	-177.9	0	0	0	0	0	113.4	L804 Q805 H806	L804-G808 PolarHBondContact O-N 3.14Å; Q805-G808 WeakPolarHBondContact O-CA 3.4Å; Q805-G808 PolarHBondContact O-N 3.43Å; H806-G808 PolarHBondContact O-N 2.71Å
809	L	87.8	Confident	82.2	Confident	3 Å²	3	44.5 Å²	44.5	2%	0.016	23%	0.233	C	C	.	.			trans	-100.9	111.3	171.8	-54	178.3	0	0	0	108.9	F768 S773 R775 L776 F782 L804 L807 S811	F768-L809 HydrophobicContact CZ-CB 4.44Å; F768-L809 HydrophobicContact CZ-CD1 4.31Å; S773-L809 WeakPolarHBondContact OG-CD2 3.41Å; R775-L809 HydrophobicContact CB-CD2 4.02Å; L776-L809 HydrophobicContact CB-CD2 3.94Å; L776-L809 HydrophobicContact CD1-CD2 4.43Å; F782-L809 HydrophobicContact CE1-CD1 4.45Å; F782-L809 HydrophobicContact CE2-CD1 4.42Å; F782-L809 HydrophobicContact CZ-CD1 3.69Å; L804-L809 CarbonylContact C-O 3.44Å; L804-L809 HydrophobicContact CB-CB 4.38Å; L804-L809 HydrophobicContact CD2-CD1 4.25Å; L804-L809 WeakPolarHBondContact O-CA 3.49Å; L804-L809 WeakPolarHBondContact O-CB 3.29Å; L804-L809 PolarHBondContact O-N 2.99Å; L807-L809 HydrophobicContact CB-CG 4.39Å; L809-S811 PolarHBondContact O-N 3.38Å
810	E	79.3	Confident	83	Confident	174 Å²	174	42.7 Å²	42.7	81%	0.813	22%	0.223	S	C	*	.			trans	-67.1	99.2	171.7	-71.1	-174.6	179.6	0	0	109.3
811	S	76.1	Confident	83.7	Confident	5 Å²	5	45.1 Å²	45.1	4%	0.035	24%	0.235	C	C	.	.			trans	-113.2	142.8	-176.7	51.3	0	0	0	0	111.7	R801 L804 L809	R801-S811 PolarHBondContact NE-O 2.91Å; L804-S811 WeakPolarHBondContact CB-OG 3.4Å; L809-S811 PolarHBondContact O-N 3.38Å
812	T	72.2	Confident	84.5	Confident	45 Å²	45	41 Å²	41	28%	0.276	22%	0.219	S	C	.	.			trans	-86.4	174.4	161.9	63.9	0	0	0	0	110.5	D814 D815 S816	T812-D814 VanDerWaalsContact C-N 3.32Å; T812-D815 WeakPolarHBondContact CB-OD2 3.13Å; T812-D815 WeakPolarHBondContact CG2-OD2 3.4Å; T812-D815 PolarHBondContact N-OD2 3.32Å; T812-D815 PolarHBondContact O-N 3.41Å; T812-D815 PolarHBondContact OG1-N 3.01Å; T812-D815 VanDerWaalsContact OG1-N 3.09Å; T812-D815 PolarHBondContact OG1-OD2 2.93Å; T812-S816 PolarHBondContact O-N 3.5Å; T812-S816 VanDerWaalsContact O-N 3.12Å; T812-S816 PolarHBondContact O-OG 3.24Å
813	C	66.6	Low	85.3	Confident	23 Å²	23	38.7 Å²	38.7	16%	0.155	20%	0.2	C	C	.	.	H	α-helix	trans	-60.4	-45.1	170.5	-63	0	0	0	0	110.4	D815 S816 I817	C813-D815 VanDerWaalsContact C-N 3.34Å; C813-D815 PolarHBondContact O-N 2.86Å; C813-S816 WeakPolarHBondContact O-CA 3.43Å; C813-S816 VanDerWaalsContact O-CB 3.3Å; C813-S816 WeakPolarHBondContact O-CB 3.33Å; C813-S816 PolarHBondContact O-N 2.98Å; C813-I817 WeakPolarHBondContact O-CG1 3.45Å; C813-I817 PolarHBondContact O-N 3.28Å; C813-I817 VanDerWaalsContact O-N 3.08Å
814	D	72.9	Confident	85.7	Confident	76 Å²	76	40.1 Å²	40.1	41%	0.406	21%	0.21	S	C	.	.	H	α-helix	trans	-60.2	-41.7	177.9	-63.4	-12.9	0	0	0	112.5	T812 S816 I817 I818	T812-D814 VanDerWaalsContact C-N 3.32Å; D814-S816 VanDerWaalsContact C-N 3.25Å; D814-S816 PolarHBondContact O-N 3.43Å; D814-I817 PolarHBondContact O-N 2.93Å; D814-I818 WeakPolarHBondContact O-CG1 3.07Å; D814-I818 PolarHBondContact O-N 3.29Å; D814-I818 VanDerWaalsContact O-N 3.14Å
815	D	83.7	Confident	86.2	Confident	13 Å²	13	41.1 Å²	41.1	7%	0.07	22%	0.216	C	C	.	.	H	α-helix	trans	-61.4	-38.4	174.5	-63.3	-55	0	0	0	111.3	L767 F768 T812 C813 I817 I818 V819	L767-D815 HydrophobicContact CD1-CB 3.87Å; L767-D815 WeakPolarHBondContact CD1-OD1 3.43Å; F768-D815 HydrophobicContact CD1-CB 3.9Å; F768-D815 HydrophobicContact CE1-CB 3.72Å; F768-D815 PolarHBondContact N-OD1 2.73Å; T812-D815 WeakPolarHBondContact CB-OD2 3.13Å; T812-D815 WeakPolarHBondContact CG2-OD2 3.4Å; T812-D815 PolarHBondContact N-OD2 3.32Å; T812-D815 PolarHBondContact O-N 3.41Å; T812-D815 PolarHBondContact OG1-N 3.01Å; T812-D815 VanDerWaalsContact OG1-N 3.09Å; T812-D815 PolarHBondContact OG1-OD2 2.93Å; C813-D815 VanDerWaalsContact C-N 3.34Å; C813-D815 PolarHBondContact O-N 2.86Å; D815-I817 VanDerWaalsContact C-N 3.34Å; D815-I817 PolarHBondContact O-N 3.46Å; D815-I818 PolarHBondContact O-N 3.18Å; D815-V819 VanDerWaalsContact O-CG2 3.23Å; D815-V819 WeakPolarHBondContact O-CG2 3.29Å; D815-V819 PolarHBondContact O-N 3.44Å
816	S	83.3	Confident	86.8	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.2	-36.9	-179.2	-56.1	0	0	0	0	112	R801 T812 C813 D814 K820	R801-S816 WeakPolarHBondContact CA-OG 3.4Å; R801-S816 WeakPolarHBondContact CB-OG 3.22Å; T812-S816 PolarHBondContact O-N 3.5Å; T812-S816 VanDerWaalsContact O-N 3.12Å; T812-S816 PolarHBondContact O-OG 3.24Å; C813-S816 WeakPolarHBondContact O-CA 3.43Å; C813-S816 VanDerWaalsContact O-CB 3.3Å; C813-S816 WeakPolarHBondContact O-CB 3.33Å; C813-S816 PolarHBondContact O-N 2.98Å; D814-S816 VanDerWaalsContact C-N 3.25Å; D814-S816 PolarHBondContact O-N 3.43Å; S816-K820 WeakPolarHBondContact O-CB 3.43Å; S816-K820 PolarHBondContact O-N 3.47Å
817	I	82.3	Confident	87.3	Confident	45 Å²	45	30.1 Å²	30.1	23%	0.231	17%	0.166	C	C	.	.	H	α-helix	trans	-63.4	-49.7	174.4	-58.8	161.3	0	0	0	110	E252 L797 C813 D814 D815 V819 K820 E821	E252-I817 HydrophobicContact CB-CD1 3.68Å; E252-I817 HydrophobicContact CB-CG1 4.43Å; E252-I817 VanDerWaalsContact CD-CG1 3.43Å; E252-I817 HydrophobicContact CG-CD1 3.79Å; E252-I817 HydrophobicContact CG-CG1 3.99Å; E252-I817 WeakPolarHBondContact OE2-CD1 3.39Å; E252-I817 WeakPolarHBondContact OE2-CG1 3.41Å; L797-I817 HydrophobicContact CD2-CG1 3.5Å; C813-I817 WeakPolarHBondContact O-CG1 3.45Å; C813-I817 PolarHBondContact O-N 3.28Å; C813-I817 VanDerWaalsContact O-N 3.08Å; D814-I817 PolarHBondContact O-N 2.93Å; D815-I817 VanDerWaalsContact C-N 3.34Å; D815-I817 PolarHBondContact O-N 3.46Å; I817-V819 VanDerWaalsContact C-N 3.34Å; I817-V819 PolarHBondContact O-N 3.23Å; I817-K820 PolarHBondContact O-N 3.35Å; I817-E821 WeakPolarHBondContact O-CB 3.45Å; I817-E821 PolarHBondContact O-N 2.89Å
818	I	90.1	Very high	87.8	Confident	14 Å²	14	35.9 Å²	35.9	7%	0.072	19%	0.187	C	C	.	.	H	α-helix	trans	-63.6	-41.7	-178.8	-63.7	166.7	0	0	0	110.5	F761 L767 D814 D815 E821 V822	F761-I818 HydrophobicContact CD2-CG2 3.75Å; F761-I818 HydrophobicContact CE2-CG2 3.92Å; L767-I818 HydrophobicContact CD1-CB 3.83Å; L767-I818 HydrophobicContact CD1-CD1 4.15Å; L767-I818 HydrophobicContact CD1-CG2 3.81Å; D814-I818 WeakPolarHBondContact O-CG1 3.07Å; D814-I818 PolarHBondContact O-N 3.29Å; D814-I818 VanDerWaalsContact O-N 3.14Å; D815-I818 PolarHBondContact O-N 3.18Å; I818-E821 PolarHBondContact O-N 3.09Å; I818-V822 VanDerWaalsContact O-CG2 3.27Å; I818-V822 WeakPolarHBondContact O-CG2 3.44Å; I818-V822 PolarHBondContact O-N 3.2Å
819	V	94.4	Very high	88.3	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63	-43.7	175.9	173.7	0	0	0	0	111.1	L758 L767 F768 I790 L804 D815 I817 V822 C823	L758-V819 HydrophobicContact CD1-CG1 4.13Å; L758-V819 HydrophobicContact CD1-CG2 3.98Å; L758-V819 HydrophobicContact CD2-CB 4.45Å; L758-V819 HydrophobicContact CD2-CG2 3.87Å; L767-V819 HydrophobicContact CD1-CG2 4.41Å; L767-V819 HydrophobicContact CD2-CG2 4.26Å; F768-V819 HydrophobicContact CZ-CG2 3.9Å; I790-V819 HydrophobicContact CD1-CG1 4.46Å; L804-V819 HydrophobicContact CD1-CB 4.12Å; L804-V819 HydrophobicContact CD1-CG1 4.29Å; L804-V819 HydrophobicContact CD1-CG2 4.08Å; L804-V819 HydrophobicContact CD2-CG1 3.85Å; D815-V819 VanDerWaalsContact O-CG2 3.23Å; D815-V819 WeakPolarHBondContact O-CG2 3.29Å; D815-V819 PolarHBondContact O-N 3.44Å; I817-V819 VanDerWaalsContact C-N 3.34Å; I817-V819 PolarHBondContact O-N 3.23Å; V819-V822 PolarHBondContact O-N 3.28Å; V819-C823 PolarHBondContact O-N 3.4Å; V819-C823 PolarHBondContact O-SG 2.93Å
820	K	92.1	Very high	88.8	Confident	53 Å²	53	34.1 Å²	34.1	23%	0.23	17%	0.169	C	C	.	.	H	α-helix	trans	-60.8	-44.9	176.1	-174.5	176.5	-177.8	178.7	0	111.6	I790 S816 I817 V822 C823 T824	I790-K820 HydrophobicContact CG2-CB 4.02Å; I790-K820 HydrophobicContact CG2-CG 4.19Å; S816-K820 WeakPolarHBondContact O-CB 3.43Å; S816-K820 PolarHBondContact O-N 3.47Å; I817-K820 PolarHBondContact O-N 3.35Å; K820-V822 PolarHBondContact O-N 2.85Å; K820-C823 WeakPolarHBondContact O-CB 3.36Å; K820-C823 PolarHBondContact O-N 3.29Å; K820-T824 PolarHBondContact O-N 3Å; K820-T824 PolarHBondContact O-OG1 3.39Å
821	E	93.7	Very high	89.7	Confident	51 Å²	51	25.9 Å²	25.9	24%	0.238	13%	0.131	C	C	.	.	H	α-helix	trans	-56.2	-47.9	175.7	179.6	-178.3	-158.6	0	0	111.7	Q471 L474 I817 I818 T824 V825	Q471-E821 PolarHBondContact NE2-OE1 2.96Å; L474-E821 HydrophobicContact CD1-CG 4Å; I817-E821 WeakPolarHBondContact O-CB 3.45Å; I817-E821 PolarHBondContact O-N 2.89Å; I818-E821 PolarHBondContact O-N 3.09Å; E821-T824 PolarHBondContact O-N 3.42Å; E821-V825 WeakPolarHBondContact O-CG2 3.42Å; E821-V825 PolarHBondContact O-N 2.91Å
822	V	97.1	Very high	90.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.5	-45.6	178.1	173.8	0	0	0	0	111.2	L474 V754 I757 L758 F761 I818 V819 K820 T824 V825 V826	L474-V822 HydrophobicContact CD2-CG2 4.21Å; V754-V822 HydrophobicContact CB-CG1 4.43Å; V754-V822 HydrophobicContact CG1-CG1 4.11Å; V754-V822 HydrophobicContact CG2-CG1 4.34Å; I757-V822 HydrophobicContact CB-CG1 3.89Å; I757-V822 HydrophobicContact CD1-CG1 3.9Å; I757-V822 HydrophobicContact CG2-CG1 3.69Å; I757-V822 HydrophobicContact CG2-CG2 3.9Å; L758-V822 HydrophobicContact CD2-CB 4.17Å; L758-V822 HydrophobicContact CD2-CG1 4.22Å; L758-V822 HydrophobicContact CD2-CG2 4.02Å; F761-V822 HydrophobicContact CD2-CG2 4.24Å; F761-V822 HydrophobicContact CE2-CG2 3.66Å; F761-V822 HydrophobicContact CZ-CG2 4.36Å; I818-V822 VanDerWaalsContact O-CG2 3.27Å; I818-V822 WeakPolarHBondContact O-CG2 3.44Å; I818-V822 PolarHBondContact O-N 3.2Å; V819-V822 PolarHBondContact O-N 3.28Å; K820-V822 PolarHBondContact O-N 2.85Å; V822-T824 PolarHBondContact O-N 3.41Å; V822-V825 PolarHBondContact O-N 2.88Å; V822-V826 WeakPolarHBondContact O-CG2 3.13Å; V822-V826 PolarHBondContact O-N 3.38Å; V822-V826 VanDerWaalsContact O-N 3.11Å
823	C	96.3	Very high	92.1	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.007	12%	0.12	C	C	.	.	H	α-helix	trans	-56	-51.2	175.7	-69	0	0	0	0	110.9	L787 I790 E791 V819 K820 V825 V826 A827	L787-C823 HydrophobicContact CD2-CB 4.43Å; I790-C823 HydrophobicContact CG2-CB 4.41Å; E791-C823 HydrophobicContact CG-CB 3.91Å; E791-C823 VanDerWaalsContact OE1-O 3.11Å; V819-C823 PolarHBondContact O-N 3.4Å; V819-C823 PolarHBondContact O-SG 2.93Å; K820-C823 WeakPolarHBondContact O-CB 3.36Å; K820-C823 PolarHBondContact O-N 3.29Å; C823-V825 PolarHBondContact O-N 3.37Å; C823-V826 PolarHBondContact O-N 3.44Å; C823-V826 VanDerWaalsContact O-N 3.15Å; C823-A827 WeakPolarHBondContact O-CB 3.43Å; C823-A827 PolarHBondContact O-N 3.2Å
824	T	95.4	Very high	93.6	Very high	53 Å²	53	23.3 Å²	23.3	33%	0.325	11%	0.113	S	C	.	.	H	α-helix	trans	-60.4	-42.8	-178.1	-65.2	0	0	0	0	112.8	E791 K820 E821 V822 R828	E791-T824 VanDerWaalsContact CD-CA 3.48Å; E791-T824 WeakPolarHBondContact OE1-CA 3.41Å; E791-T824 PolarHBondContact OE1-N 3.31Å; E791-T824 WeakPolarHBondContact OE2-CA 3.45Å; E791-T824 WeakPolarHBondContact OE2-CB 3.35Å; E791-T824 PolarHBondContact OE2-OG1 3.36Å; K820-T824 PolarHBondContact O-N 3Å; K820-T824 PolarHBondContact O-OG1 3.39Å; E821-T824 PolarHBondContact O-N 3.42Å; V822-T824 PolarHBondContact O-N 3.41Å; T824-R828 WeakPolarHBondContact O-CB 3.19Å; T824-R828 PolarHBondContact O-N 3.24Å
825	V	97.9	Very high	94.9	Very high	21 Å²	21	19.7 Å²	19.7	13%	0.127	9%	0.093	C	C	.	.	H	α-helix	trans	-62.5	-45	176.9	171	0	0	0	0	111.1	L474 L477 Q478 E821 V822 C823 R829	L474-V825 HydrophobicContact CB-CG1 4.39Å; L474-V825 HydrophobicContact CD1-CG2 4.35Å; L474-V825 HydrophobicContact CD2-CG1 4.47Å; L477-V825 HydrophobicContact CB-CG1 3.5Å; L477-V825 HydrophobicContact CD1-CG1 3.89Å; L477-V825 HydrophobicContact CG-CG1 4.34Å; Q478-V825 HydrophobicContact CG-CG1 4.41Å; E821-V825 WeakPolarHBondContact O-CG2 3.42Å; E821-V825 PolarHBondContact O-N 2.91Å; V822-V825 PolarHBondContact O-N 2.88Å; C823-V825 PolarHBondContact O-N 3.37Å; V825-R829 WeakPolarHBondContact O-CB 3.43Å; V825-R829 PolarHBondContact O-N 3.18Å; V825-R829 VanDerWaalsContact O-N 3.13Å
826	V	98.4	Very high	95.6	Very high	1 Å²	1	19 Å²	19	1%	0.006	9%	0.09	C	C	.	.	H	α-helix	trans	-67.2	-47.7	-179.1	172.4	0	0	0	0	111.6	L477 L750 I753 V754 I757 V822 C823 R829 A830	L477-V826 HydrophobicContact CD1-CG2 4.27Å; L750-V826 HydrophobicContact CB-CG1 4.3Å; L750-V826 HydrophobicContact CD2-CG1 4.01Å; I753-V826 HydrophobicContact CB-CG1 4.19Å; I753-V826 HydrophobicContact CG2-CG1 4.08Å; I753-V826 HydrophobicContact CG2-CG2 3.84Å; V754-V826 HydrophobicContact CG2-CB 4.01Å; V754-V826 HydrophobicContact CG2-CG1 4.13Å; V754-V826 HydrophobicContact CG2-CG2 3.99Å; I757-V826 HydrophobicContact CD1-CG2 3.75Å; V822-V826 WeakPolarHBondContact O-CG2 3.13Å; V822-V826 PolarHBondContact O-N 3.38Å; V822-V826 VanDerWaalsContact O-N 3.11Å; C823-V826 PolarHBondContact O-N 3.44Å; C823-V826 VanDerWaalsContact O-N 3.15Å; V826-R829 PolarHBondContact O-N 3.38Å; V826-A830 WeakPolarHBondContact O-CB 3.31Å; V826-A830 PolarHBondContact O-N 2.52Å
827	A	97.8	Very high	96.3	Very high	6 Å²	6	19 Å²	19	5%	0.05	9%	0.09	C	C	.	.	H	α-helix	trans	-67.2	-38.3	-179.1	0	0	0	0	0	112.3	E791 C823 A830 A831 H868	E791-A827 VanDerWaalsContact OE1-CB 3.26Å; E791-A827 WeakPolarHBondContact OE1-CB 3.33Å; C823-A827 WeakPolarHBondContact O-CB 3.43Å; C823-A827 PolarHBondContact O-N 3.2Å; A827-A830 WeakPolarHBondContact O-CB 3.19Å; A827-A830 PolarHBondContact O-N 3.35Å; A827-A831 PolarHBondContact O-N 3.42Å; A827-H868 WeakPolarHBondContact CB-NE2 3.47Å
828	R	98.4	Very high	97.1	Very high	135 Å²	135	16.9 Å²	16.9	51%	0.509	8%	0.079	S	C	.	.	H	α-helix	trans	-62.2	-47.4	174.9	-172.9	179.6	-173.5	-138.5	-0.3	111.3	T824 A830 A831 Q832 V874	T824-R828 WeakPolarHBondContact O-CB 3.19Å; T824-R828 PolarHBondContact O-N 3.24Å; R828-A830 VanDerWaalsContact C-N 3.31Å; R828-A830 PolarHBondContact O-N 2.92Å; R828-A831 PolarHBondContact O-N 3.27Å; R828-Q832 WeakPolarHBondContact O-CG 3.32Å; R828-Q832 PolarHBondContact O-N 3.03Å; R828-V874 HydrophobicContact CG-CG1 4.05Å
829	R	98.6	Very high	97.5	Very high	1 Å²	1	16.2 Å²	16.2	0%	0.004	8%	0.076	C	C	.	.	H	α-helix	trans	-57.9	-45	176.1	-173	-171.2	68.6	160	-3.1	111.5	L477 L479 D726 V825 V826 A831 Q832 L833	L477-R829 WeakPolarHBondContact O-CB 3.47Å; L477-R829 VanDerWaalsContact O-CD 3.27Å; L477-R829 WeakPolarHBondContact O-CD 3.3Å; L477-R829 VanDerWaalsContact O-CG 3.27Å; L477-R829 WeakPolarHBondContact O-CG 3.49Å; L479-R829 HydrophobicContact CD1-CG 3.87Å; L479-R829 HydrophobicContact CG-CG 4.11Å; D726-R829 IonicContact OD1-CZ 2.67Å; D726-R829 IonicContact OD1-NH1 2.73Å; D726-R829 PolarHBondContact OD1-NH1 3.36Å; D726-R829 IonicContact OD1-NH2 3.89Å; D726-R829 PolarHBondContact OD1-NH2 2.82Å; D726-R829 IonicContact OD2-CZ 3.04Å; D726-R829 IonicContact OD2-NH1 3.31Å; D726-R829 PolarHBondContact OD2-NH1 3.31Å; D726-R829 IonicContact OD2-NH2 3.54Å; V825-R829 WeakPolarHBondContact O-CB 3.43Å; V825-R829 PolarHBondContact O-N 3.18Å; V825-R829 VanDerWaalsContact O-N 3.13Å; V826-R829 PolarHBondContact O-N 3.38Å; R829-A831 PolarHBondContact O-N 3Å; R829-Q832 PolarHBondContact O-N 3.29Å; R829-L833 HydrophobicContact CG-CD1 4.08Å; R829-L833 HydrophobicContact CG-CG 4.41Å; R829-L833 WeakPolarHBondContact O-CB 3.36Å; R829-L833 WeakPolarHBondContact O-CG 3.17Å; R829-L833 PolarHBondContact O-N 2.6Å
830	A	98.7	Very high	97.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.4	-46.3	178.4	0	0	0	0	0	112.3	M744 L750 V826 A827 R828 L833 C834 F871	M744-A830 WeakPolarHBondContact O-CA 3.43Å; M744-A830 WeakPolarHBondContact O-CB 3.49Å; L750-A830 HydrophobicContact CD1-CB 3.88Å; L750-A830 HydrophobicContact CD2-CB 3.68Å; L750-A830 HydrophobicContact CG-CB 4.42Å; V826-A830 WeakPolarHBondContact O-CB 3.31Å; V826-A830 PolarHBondContact O-N 2.52Å; A827-A830 WeakPolarHBondContact O-CB 3.19Å; A827-A830 PolarHBondContact O-N 3.35Å; R828-A830 VanDerWaalsContact C-N 3.31Å; R828-A830 PolarHBondContact O-N 2.92Å; A830-L833 PolarHBondContact O-N 2.9Å; A830-C834 WeakPolarHBondContact O-CB 3.31Å; A830-C834 PolarHBondContact O-N 3.19Å; A830-F871 HydrophobicContact CB-CE2 3.79Å
831	A	98.8	Very high	98	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-63.7	-41	176.3	0	0	0	0	0	112.4	A827 R828 R829 C834 G835 F871 V874 M875	A827-A831 PolarHBondContact O-N 3.42Å; R828-A831 PolarHBondContact O-N 3.27Å; R829-A831 PolarHBondContact O-N 3Å; A831-C834 PolarHBondContact O-N 3.44Å; A831-G835 PolarHBondContact O-N 3.22Å; A831-F871 HydrophobicContact CB-CD1 4.21Å; A831-F871 HydrophobicContact CB-CD2 3.84Å; A831-F871 HydrophobicContact CB-CE1 4.28Å; A831-F871 HydrophobicContact CB-CE2 3.95Å; A831-F871 HydrophobicContact CB-CG 3.97Å; A831-F871 HydrophobicContact CB-CZ 4.15Å; A831-F871 WeakPolarHBondContact CB-O 3.4Å; A831-V874 HydrophobicContact CB-CB 3.82Å; A831-V874 HydrophobicContact CB-CG1 3.71Å; A831-M875 HydrophobicContact CB-CB 4.26Å
832	Q	98.8	Very high	98.3	Very high	18 Å²	18	11.3 Å²	11.3	8%	0.084	5%	0.053	C	C	.	.	H	α-helix	trans	-67.2	-42.6	177.8	-69.8	178	-53.3	0	0	112.5	L484 R828 R829 G835 A836 V874 T878	L484-Q832 HydrophobicContact CD1-CB 4.08Å; L484-Q832 HydrophobicContact CD1-CG 4.31Å; L484-Q832 HydrophobicContact CD2-CB 3.79Å; R828-Q832 WeakPolarHBondContact O-CG 3.32Å; R828-Q832 PolarHBondContact O-N 3.03Å; R829-Q832 PolarHBondContact O-N 3.29Å; Q832-G835 PolarHBondContact O-N 2.97Å; Q832-A836 PolarHBondContact O-N 3.28Å; Q832-V874 HydrophobicContact CG-CG1 3.8Å; Q832-T878 HydrophobicContact CB-CG2 4.37Å; Q832-T878 WeakPolarHBondContact O-CG2 3.39Å
833	L	98.8	Very high	98.3	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.005	6%	0.057	C	C	.	.	H	α-helix	trans	-62.3	-44.9	175.1	-75	173.2	0	0	0	111.3	L479 V487 F741 M744 I745 R829 A830 G835 A836 G837	L479-L833 HydrophobicContact CD1-CD1 4.42Å; L479-L833 HydrophobicContact CD1-CD2 3.53Å; L479-L833 HydrophobicContact CD1-CG 3.72Å; V487-L833 HydrophobicContact CG1-CD2 4.1Å; V487-L833 HydrophobicContact CG2-CD2 4.1Å; F741-L833 HydrophobicContact CE2-CB 4.03Å; F741-L833 HydrophobicContact CE2-CD2 4.49Å; F741-L833 WeakPolarHBondContact CZ-O 3.39Å; M744-L833 HydrophobicContact CB-CD1 3.82Å; M744-L833 HydrophobicContact CE-CD1 4.28Å; M744-L833 HydrophobicContact SD-CD1 4.21Å; I745-L833 HydrophobicContact CD1-CB 4.1Å; I745-L833 HydrophobicContact CG1-CB 4.14Å; R829-L833 HydrophobicContact CG-CD1 4.08Å; R829-L833 HydrophobicContact CG-CG 4.41Å; R829-L833 WeakPolarHBondContact O-CB 3.36Å; R829-L833 WeakPolarHBondContact O-CG 3.17Å; R829-L833 PolarHBondContact O-N 2.6Å; A830-L833 PolarHBondContact O-N 2.9Å; L833-G835 VanDerWaalsContact C-N 3.31Å; L833-G835 PolarHBondContact O-N 3.31Å; L833-A836 PolarHBondContact O-N 3.41Å; L833-G837 PolarHBondContact O-N 2.94Å
834	C	98.8	Very high	98.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-59	-43.6	173.5	-174.4	0	0	0	0	111.4	I745 A830 A831 G837 M838 F871 M875	I745-C834 HydrophobicContact CD1-CB 4.16Å; I745-C834 HydrophobicContact CG2-CB 4.07Å; A830-C834 WeakPolarHBondContact O-CB 3.31Å; A830-C834 PolarHBondContact O-N 3.19Å; A831-C834 PolarHBondContact O-N 3.44Å; C834-G837 PolarHBondContact O-N 2.95Å; C834-M838 WeakPolarHBondContact O-CB 3.46Å; C834-M838 PolarHBondContact O-N 3.02Å; C834-F871 HydrophobicContact CB-CE1 4.44Å; C834-F871 HydrophobicContact CB-CZ 4.1Å; C834-M875 HydrophobicContact CB-CG 4.18Å
835	G	98.8	Very high	98.6	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-63.7	-39.1	176.5	0	0	0	0	0	113.4	A831 Q832 L833 M838 A839 V879	A831-G835 PolarHBondContact O-N 3.22Å; Q832-G835 PolarHBondContact O-N 2.97Å; L833-G835 VanDerWaalsContact C-N 3.31Å; L833-G835 PolarHBondContact O-N 3.31Å; G835-M838 PolarHBondContact O-N 3.07Å; G835-A839 VanDerWaalsContact O-CB 3.25Å; G835-A839 WeakPolarHBondContact O-CB 3.03Å; G835-A839 PolarHBondContact O-N 3.12Å; G835-V879 WeakPolarHBondContact O-CG2 3.29Å
836	A	98.8	Very high	98.6	Very high	0 Å²	0	10 Å²	10	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-65.1	-40	174.4	0	0	0	0	0	112.4	L484 V487 K488 Q832 L833 A840 L882	L484-A836 HydrophobicContact CD2-CB 4.39Å; V487-A836 HydrophobicContact CB-CB 4.11Å; V487-A836 HydrophobicContact CG1-CB 3.88Å; K488-A836 HydrophobicContact CB-CB 4.47Å; Q832-A836 PolarHBondContact O-N 3.28Å; L833-A836 PolarHBondContact O-N 3.41Å; A836-A840 PolarHBondContact O-N 3.35Å; A836-L882 HydrophobicContact CB-CD1 3.76Å
837	G	98.7	Very high	98.6	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61.2	-48.4	172.1	0	0	0	0	0	112	L833 C834 A839 A840 V841	L833-G837 PolarHBondContact O-N 2.94Å; C834-G837 PolarHBondContact O-N 2.95Å; G837-A839 PolarHBondContact O-N 3.18Å; G837-A840 WeakPolarHBondContact O-CB 3.31Å; G837-A840 PolarHBondContact O-N 2.89Å; G837-V841 PolarHBondContact O-N 2.7Å
838	M	98.8	Very high	98.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-65.3	-38.5	178.8	-175.5	53.9	63.2	0	0	112.7	V674 L676 A684 W709 C834 G835 A840 V841 V842 V858 V879 F890	V674-M838 HydrophobicContact CG1-CE 3.83Å; V674-M838 HydrophobicContact CG1-SD 3.72Å; L676-M838 HydrophobicContact CB-CE 3.91Å; L676-M838 HydrophobicContact CD1-CE 3.92Å; L676-M838 HydrophobicContact CD2-CE 4.05Å; L676-M838 HydrophobicContact CG-CE 4.17Å; A684-M838 HydrophobicContact CB-CE 4.4Å; W709-M838 HydrophobicContact CH2-CE 4.11Å; W709-M838 HydrophobicContact CZ3-CE 4.29Å; C834-M838 WeakPolarHBondContact O-CB 3.46Å; C834-M838 PolarHBondContact O-N 3.02Å; G835-M838 PolarHBondContact O-N 3.07Å; M838-A840 PolarHBondContact O-N 2.93Å; M838-V841 WeakPolarHBondContact O-CB 3.39Å; M838-V841 PolarHBondContact O-N 3.5Å; M838-V841 VanDerWaalsContact O-N 3.1Å; M838-V841 HydrophobicContact SD-CB 4.32Å; M838-V842 PolarHBondContact O-N 3.49Å; M838-V842 HydrophobicContact SD-CG1 4.25Å; M838-V858 HydrophobicContact CE-CG1 3.95Å; M838-V858 HydrophobicContact SD-CG1 4.33Å; M838-V858 HydrophobicContact SD-CG2 3.98Å; M838-V879 HydrophobicContact CB-CG2 3.78Å; M838-V879 HydrophobicContact CG-CG2 3.87Å; M838-F890 HydrophobicContact CG-CE1 4.23Å; M838-F890 HydrophobicContact CG-CZ 4.33Å
839	A	98.8	Very high	98.6	Very high	0 Å²	0	12 Å²	12	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-59.1	-34.7	174.2	0	0	0	0	0	112	K488 G835 G837 D843 L882 A883	K488-A839 HydrophobicContact CD-CB 3.94Å; K488-A839 HydrophobicContact CG-CB 4.25Å; G835-A839 VanDerWaalsContact O-CB 3.25Å; G835-A839 WeakPolarHBondContact O-CB 3.03Å; G835-A839 PolarHBondContact O-N 3.12Å; G837-A839 PolarHBondContact O-N 3.18Å; A839-D843 WeakPolarHBondContact O-CB 3.41Å; A839-D843 PolarHBondContact O-N 3.25Å; A839-L882 HydrophobicContact CB-CB 3.71Å; A839-L882 HydrophobicContact CB-CD1 4.4Å; A839-A883 HydrophobicContact CB-CB 4.05Å
840	A	98.8	Very high	98.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-67.1	-41.8	175.1	0	0	0	0	0	111.5	K488 M491 K492 M495 A836 G837 M838 K844	K488-A840 HydrophobicContact CG-CB 3.88Å; K488-A840 WeakPolarHBondContact O-CB 3.39Å; M491-A840 HydrophobicContact CB-CB 3.9Å; M491-A840 HydrophobicContact CG-CB 3.77Å; K492-A840 HydrophobicContact CB-CB 4.44Å; M495-A840 HydrophobicContact SD-CB 4.36Å; A836-A840 PolarHBondContact O-N 3.35Å; G837-A840 WeakPolarHBondContact O-CB 3.31Å; G837-A840 PolarHBondContact O-N 2.89Å; M838-A840 PolarHBondContact O-N 2.93Å; A840-K844 VanDerWaalsContact O-CB 3.29Å; A840-K844 WeakPolarHBondContact O-CB 3.49Å; A840-K844 PolarHBondContact O-N 2.68Å
841	V	98.8	Very high	98.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.4	-54.8	178.8	176.5	0	0	0	0	111.2	M495 V674 Y686 M707 G837 M838 D843 K844 I845	M495-V841 HydrophobicContact CE-CG2 4.02Å; M495-V841 HydrophobicContact SD-CG2 4.38Å; V674-V841 HydrophobicContact CG1-CG1 4.09Å; V674-V841 HydrophobicContact CG2-CG1 4.21Å; Y686-V841 HydrophobicContact CD1-CG1 3.81Å; Y686-V841 HydrophobicContact CD2-CG1 4.44Å; Y686-V841 HydrophobicContact CG-CG1 3.75Å; M707-V841 HydrophobicContact CE-CG2 3.7Å; M707-V841 HydrophobicContact SD-CG2 3.52Å; M707-V841 VanDerWaalsContact SD-CG2 3.52Å; G837-V841 PolarHBondContact O-N 2.7Å; M838-V841 WeakPolarHBondContact O-CB 3.39Å; M838-V841 PolarHBondContact O-N 3.5Å; M838-V841 VanDerWaalsContact O-N 3.1Å; M838-V841 HydrophobicContact SD-CB 4.32Å; V841-D843 PolarHBondContact O-N 3.42Å; V841-K844 WeakPolarHBondContact O-CB 3.4Å; V841-K844 PolarHBondContact O-N 2.96Å; V841-K844 VanDerWaalsContact O-N 3.16Å; V841-I845 HydrophobicContact CG1-CD1 4.13Å; V841-I845 WeakPolarHBondContact O-CG1 3.36Å; V841-I845 PolarHBondContact O-N 2.72Å
842	V	98.7	Very high	98.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.6	-36.9	-175.6	-61	0	0	0	0	112.4	M838 I845 R846 L854 V856 V879 A883 C886 V888	M838-V842 PolarHBondContact O-N 3.49Å; M838-V842 HydrophobicContact SD-CG1 4.25Å; V842-I845 PolarHBondContact O-N 3.09Å; V842-R846 PolarHBondContact O-N 3.47Å; V842-L854 VanDerWaalsContact O-CD2 3.27Å; V842-L854 WeakPolarHBondContact O-CD2 3.36Å; V842-V856 HydrophobicContact CB-CG1 4.24Å; V842-V856 HydrophobicContact CG1-CG1 3.86Å; V842-V879 HydrophobicContact CG2-CG1 4.48Å; V842-A883 HydrophobicContact CG2-CB 3.83Å; V842-C886 HydrophobicContact CB-CB 4.2Å; V842-C886 HydrophobicContact CG2-CB 3.89Å; V842-V888 HydrophobicContact CB-CG2 4.15Å; V842-V888 HydrophobicContact CG1-CG1 4.37Å; V842-V888 HydrophobicContact CG1-CG2 3.92Å; V842-V888 HydrophobicContact CG2-CG2 4.01Å
843	D	98.4	Very high	98.2	Very high	13 Å²	13	27.9 Å²	27.9	7%	0.07	17%	0.165	C	C	.	.	H	α-helix	trans	-69	-36.1	174.1	-103.1	-27.8	0	0	0	112	K488 A839 V841 R846 E847	K488-D843 WeakPolarHBondContact CE-OD2 3.3Å; K488-D843 IonicContact NZ-OD2 2.77Å; K488-D843 PolarHBondContact NZ-OD2 3.12Å; A839-D843 WeakPolarHBondContact O-CB 3.41Å; A839-D843 PolarHBondContact O-N 3.25Å; V841-D843 PolarHBondContact O-N 3.42Å; D843-R846 WeakPolarHBondContact O-CB 3.31Å; D843-R846 PolarHBondContact O-N 2.91Å; D843-R846 IonicContact OD1-CZ 2.54Å; D843-R846 VanDerWaalsContact OD1-CZ 3.27Å; D843-R846 IonicContact OD1-NE 3.27Å; D843-R846 PolarHBondContact OD1-NE 2.98Å; D843-R846 IonicContact OD1-NH2 3.11Å; D843-R846 PolarHBondContact OD1-NH2 3.46Å; D843-E847 WeakPolarHBondContact O-CB 3.16Å; D843-E847 VanDerWaalsContact O-CG 3.26Å; D843-E847 WeakPolarHBondContact O-CG 3.11Å; D843-E847 PolarHBondContact O-N 3Å
844	K	98.5	Very high	98.2	Very high	10 Å²	10	28.2 Å²	28.2	4%	0.043	17%	0.166	C	C	.	.	H	α-helix	trans	-61.4	-45.2	174.5	-167.5	-174.1	-171.5	-54.9	0	110.9	M495 E688 A840 V841 R846 E847 N848	M495-K844 HydrophobicContact CB-CD 4.4Å; M495-K844 HydrophobicContact CE-CB 4.3Å; M495-K844 HydrophobicContact CE-CD 3.45Å; M495-K844 VanDerWaalsContact CE-CD 3.45Å; M495-K844 HydrophobicContact CE-CG 4.5Å; M495-K844 HydrophobicContact SD-CD 4.26Å; E688-K844 IonicContact OE1-NZ 3.58Å; E688-K844 WeakPolarHBondContact OE2-CE 3.44Å; E688-K844 IonicContact OE2-NZ 2.63Å; E688-K844 PolarHBondContact OE2-NZ 2.96Å; A840-K844 VanDerWaalsContact O-CB 3.29Å; A840-K844 WeakPolarHBondContact O-CB 3.49Å; A840-K844 PolarHBondContact O-N 2.68Å; V841-K844 WeakPolarHBondContact O-CB 3.4Å; V841-K844 PolarHBondContact O-N 2.96Å; V841-K844 VanDerWaalsContact O-N 3.16Å; K844-R846 VanDerWaalsContact C-N 3.33Å; K844-R846 PolarHBondContact O-N 3.34Å; K844-E847 PolarHBondContact O-N 3.35Å; K844-N848 PolarHBondContact NZ-ND2 3.1Å; K844-N848 PolarHBondContact NZ-OD1 2.75Å; K844-N848 VanDerWaalsContact NZ-OD1 3.14Å; K844-N848 VanDerWaalsContact O-CB 3.23Å; K844-N848 WeakPolarHBondContact O-CB 2.92Å; K844-N848 PolarHBondContact O-N 3.23Å; K844-N848 PolarHBondContact O-ND2 2.63Å
845	I	98.4	Very high	98.2	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-58.5	-46.8	175.2	-63.8	167.3	0	0	0	110.6	V674 Y686 V841 V842 E847 R849 L854	V674-I845 HydrophobicContact CG2-CD1 3.61Å; Y686-I845 HydrophobicContact CD2-CD1 3.9Å; Y686-I845 HydrophobicContact CD2-CG1 3.68Å; Y686-I845 HydrophobicContact CE2-CG1 4.24Å; Y686-I845 HydrophobicContact CG-CD1 4.26Å; Y686-I845 HydrophobicContact CG-CG1 4.47Å; V841-I845 HydrophobicContact CG1-CD1 4.13Å; V841-I845 WeakPolarHBondContact O-CG1 3.36Å; V841-I845 PolarHBondContact O-N 2.72Å; V842-I845 PolarHBondContact O-N 3.09Å; I845-E847 PolarHBondContact O-N 2.86Å; I845-R849 VanDerWaalsContact CG2-CZ 3.48Å; I845-R849 WeakPolarHBondContact O-CG 3.46Å; I845-R849 PolarHBondContact O-N 3.47Å; I845-L854 HydrophobicContact CB-CD2 3.91Å; I845-L854 HydrophobicContact CG2-CD1 4.28Å; I845-L854 HydrophobicContact CG2-CD2 3.76Å
846	R	98.6	Very high	98.1	Very high	25 Å²	25	33.6 Å²	33.6	9%	0.094	19%	0.19	C	C	.	.	H	α-helix	trans	-58.8	-48.4	178.8	-176.5	-173.5	59.9	65.5	7.4	111.4	V842 D843 K844 R849 G850 L851 L854	V842-R846 PolarHBondContact O-N 3.47Å; D843-R846 WeakPolarHBondContact O-CB 3.31Å; D843-R846 PolarHBondContact O-N 2.91Å; D843-R846 IonicContact OD1-CZ 2.54Å; D843-R846 VanDerWaalsContact OD1-CZ 3.27Å; D843-R846 IonicContact OD1-NE 3.27Å; D843-R846 PolarHBondContact OD1-NE 2.98Å; D843-R846 IonicContact OD1-NH2 3.11Å; D843-R846 PolarHBondContact OD1-NH2 3.46Å; K844-R846 VanDerWaalsContact C-N 3.33Å; K844-R846 PolarHBondContact O-N 3.34Å; R846-R849 PolarHBondContact O-N 3.03Å; R846-G850 PolarHBondContact O-N 3.23Å; R846-L851 HydrophobicContact CG-CB 3.96Å; R846-L851 WeakPolarHBondContact CG-O 3.3Å; R846-L851 PolarHBondContact NH1-O 3.32Å; R846-L851 PolarHBondContact O-N 3.25Å; R846-L854 HydrophobicContact CB-CB 3.71Å; R846-L854 HydrophobicContact CB-CD2 4.01Å; R846-L854 HydrophobicContact CB-CG 4.44Å; R846-L854 HydrophobicContact CG-CB 3.79Å
847	E	98.1	Very high	98.1	Very high	85 Å²	85	33.7 Å²	33.7	40%	0.397	19%	0.19	S	C	.	.	H	α-helix	trans	-69.9	-42.2	-178.2	-71.6	178.4	-154.3	0	0	112.9	K492 D843 K844 I845 R849 G850	K492-E847 IonicContact NZ-OE1 3.34Å; K492-E847 PolarHBondContact NZ-OE1 3.18Å; K492-E847 VanDerWaalsContact NZ-OE1 3.11Å; K492-E847 IonicContact NZ-OE2 3.67Å; K492-E847 PolarHBondContact NZ-OE2 3.16Å; D843-E847 WeakPolarHBondContact O-CB 3.16Å; D843-E847 VanDerWaalsContact O-CG 3.26Å; D843-E847 WeakPolarHBondContact O-CG 3.11Å; D843-E847 PolarHBondContact O-N 3Å; K844-E847 PolarHBondContact O-N 3.35Å; I845-E847 PolarHBondContact O-N 2.86Å; E847-R849 PolarHBondContact O-N 2.62Å; E847-R849 VanDerWaalsContact O-N 3.13Å; E847-G850 PolarHBondContact O-N 3.36Å
848	N	97.7	Very high	98.1	Very high	30 Å²	30	33.7 Å²	33.7	16%	0.16	19%	0.19	C	C	.	.	H	α-helix	trans	-53	-35.4	174.8	-78.5	-17.3	0	0	0	111.5	E688 E689 R691 N692 K844	E688-N848 PolarHBondContact OE1-ND2 3.29Å; E688-N848 PolarHBondContact OE2-ND2 3.21Å; E689-N848 HydrophobicContact CG-CB 4.18Å; R691-N848 PolarHBondContact NH2-O 3.15Å; N692-N848 PolarHBondContact ND2-OD1 2.76Å; K844-N848 PolarHBondContact NZ-ND2 3.1Å; K844-N848 PolarHBondContact NZ-OD1 2.75Å; K844-N848 VanDerWaalsContact NZ-OD1 3.14Å; K844-N848 VanDerWaalsContact O-CB 3.23Å; K844-N848 WeakPolarHBondContact O-CB 2.92Å; K844-N848 PolarHBondContact O-N 3.23Å; K844-N848 PolarHBondContact O-ND2 2.63Å
849	R	97.4	Very high	98	Very high	67 Å²	67	33.7 Å²	33.7	25%	0.253	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-0.1	-179.3	-63.9	174.8	-175.8	176.1	4.9	113.6	E673 E689 I845 R846 E847 L851	E673-R849 IonicContact OE1-CZ 2.81Å; E673-R849 IonicContact OE1-NH1 3.63Å; E673-R849 IonicContact OE1-NH2 2.72Å; E673-R849 PolarHBondContact OE1-NH2 2.9Å; E673-R849 IonicContact OE2-CZ 2.82Å; E673-R849 VanDerWaalsContact OE2-CZ 3.23Å; E673-R849 IonicContact OE2-NH1 3.23Å; E673-R849 PolarHBondContact OE2-NH1 3.01Å; E673-R849 IonicContact OE2-NH2 3.77Å; E673-R849 PolarHBondContact OE2-NH2 3.26Å; E689-R849 IonicContact OE1-NE 2.68Å; E689-R849 PolarHBondContact OE1-NE 3.22Å; I845-R849 VanDerWaalsContact CG2-CZ 3.48Å; I845-R849 WeakPolarHBondContact O-CG 3.46Å; I845-R849 PolarHBondContact O-N 3.47Å; R846-R849 PolarHBondContact O-N 3.03Å; E847-R849 PolarHBondContact O-N 2.62Å; E847-R849 VanDerWaalsContact O-N 3.13Å; R849-L851 VanDerWaalsContact C-N 3.25Å; R849-L851 HydrophobicContact CB-CD1 3.77Å; R849-L851 HydrophobicContact CB-CG 3.69Å; R849-L851 PolarHBondContact O-N 3.14Å
850	G	97.2	Very high	97.9	Very high	68 Å²	68	33.7 Å²	33.7	70%	0.701	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.3	30.7	-178.2	0	0	0	0	0	113.5	R846 E847	R846-G850 PolarHBondContact O-N 3.23Å; E847-G850 PolarHBondContact O-N 3.36Å
851	L	97.5	Very high	97.6	Very high	68 Å²	68	34.8 Å²	34.8	36%	0.356	20%	0.197	S	C	.	.			trans	-91	138.9	-175.5	-60.7	173.9	0	0	0	111.8	R846 R849 L854	R846-L851 HydrophobicContact CG-CB 3.96Å; R846-L851 WeakPolarHBondContact CG-O 3.3Å; R846-L851 PolarHBondContact NH1-O 3.32Å; R846-L851 PolarHBondContact O-N 3.25Å; R849-L851 VanDerWaalsContact C-N 3.25Å; R849-L851 HydrophobicContact CB-CD1 3.77Å; R849-L851 HydrophobicContact CB-CG 3.69Å; R849-L851 PolarHBondContact O-N 3.14Å; L851-L854 HydrophobicContact CD1-CD1 3.99Å
852	D	96.2	Very high	97.2	Very high	145 Å²	145	35.2 Å²	35.2	78%	0.775	20%	0.201	S	C	*	.	S	Bend	trans	-71.2	-35.7	171.2	-75.2	-36.8	0	0	0	112
853	A	97.2	Very high	96.7	Very high	73 Å²	73	38.6 Å²	38.6	60%	0.603	22%	0.221	S	C	*	.	S	Bend	trans	-139.1	143.5	174.6	0	0	0	0	0	110.7	K885	A853-K885 VanDerWaalsContact CA-O 3.22Å; A853-K885 WeakPolarHBondContact CA-O 3.45Å
854	L	98.2	Very high	96.5	Very high	7 Å²	7	38 Å²	38	4%	0.037	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.7	177.4	174.9	69.5	0	0	0	109.8	V842 I845 R846 L851 V856 K885 C886 D887	V842-L854 VanDerWaalsContact O-CD2 3.27Å; V842-L854 WeakPolarHBondContact O-CD2 3.36Å; I845-L854 HydrophobicContact CB-CD2 3.91Å; I845-L854 HydrophobicContact CG2-CD1 4.28Å; I845-L854 HydrophobicContact CG2-CD2 3.76Å; R846-L854 HydrophobicContact CB-CB 3.71Å; R846-L854 HydrophobicContact CB-CD2 4.01Å; R846-L854 HydrophobicContact CB-CG 4.44Å; R846-L854 HydrophobicContact CG-CB 3.79Å; L851-L854 HydrophobicContact CD1-CD1 3.99Å; L854-V856 HydrophobicContact CD1-CB 4.48Å; L854-V856 HydrophobicContact CD2-CB 3.99Å; L854-V856 HydrophobicContact CD2-CG1 3.81Å; L854-V856 HydrophobicContact CG-CB 4.01Å; L854-V856 HydrophobicContact CG-CG1 4.1Å; L854-K885 PolarHBondContact N-O 3.49Å; L854-C886 CarbonylContact O-C 3.59Å; L854-C886 WeakPolarHBondContact O-CA 3.38Å; L854-D887 PolarHBondContact O-N 3.26Å
855	K	98.1	Very high	96.3	Very high	113 Å²	113	38 Å²	38	49%	0.491	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	123.2	162.9	-175.3	179.5	-178.7	-175.8	0	108.3	D887	K855-D887 WeakPolarHBondContact CA-O 3.47Å
856	V	98.3	Very high	96	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	146.4	-175.8	64.3	0	0	0	0	110.7	E673 V674 V842 L854 D887 V888 S889	E673-V856 HydrophobicContact CB-CG2 4.2Å; V674-V856 HydrophobicContact CG2-CG2 4.03Å; V842-V856 HydrophobicContact CB-CG1 4.24Å; V842-V856 HydrophobicContact CG1-CG1 3.86Å; L854-V856 HydrophobicContact CD1-CB 4.48Å; L854-V856 HydrophobicContact CD2-CB 3.99Å; L854-V856 HydrophobicContact CD2-CG1 3.81Å; L854-V856 HydrophobicContact CG-CB 4.01Å; L854-V856 HydrophobicContact CG-CG1 4.1Å; V856-D887 PolarHBondContact N-O 3Å; V856-V888 HydrophobicContact CG1-CG1 4.42Å; V856-V888 HydrophobicContact CG1-CG2 4.05Å; V856-V888 WeakPolarHBondContact O-CA 3.5Å; V856-S889 PolarHBondContact O-N 2.98Å
857	T	98.5	Very high	95.6	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.012	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	141.7	174.3	-62.3	0	0	0	0	110	D669 H671 C672 E673 S889 L891	D669-T857 HydrophobicContact CB-CG2 4.42Å; D669-T857 VanDerWaalsContact OD2-CB 3.29Å; D669-T857 WeakPolarHBondContact OD2-CB 3.47Å; D669-T857 WeakPolarHBondContact OD2-CG2 3.5Å; D669-T857 PolarHBondContact OD2-OG1 3.4Å; H671-T857 PolarHBondContact O-N 2.91Å; C672-T857 VanDerWaalsContact CA-O 3.32Å; C672-T857 WeakPolarHBondContact CA-O 3.3Å; C672-T857 HydrophobicContact CB-CG2 4Å; E673-T857 PolarHBondContact N-O 3.07Å; T857-S889 CarbonylContact C-O 3.53Å; T857-S889 VanDerWaalsContact CA-O 3.3Å; T857-S889 WeakPolarHBondContact CA-O 3.49Å; T857-L891 HydrophobicContact CG2-CB 3.95Å
858	V	98.5	Very high	95.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	117.5	174.8	-175.3	0	0	0	0	107.8	V674 L676 M838 V860 V888 S889 F890 L891	V674-V858 HydrophobicContact CB-CB 4.34Å; V674-V858 HydrophobicContact CB-CG1 4.19Å; V674-V858 HydrophobicContact CB-CG2 3.98Å; V674-V858 HydrophobicContact CG1-CG1 3.98Å; V674-V858 HydrophobicContact CG1-CG2 4.18Å; V674-V858 HydrophobicContact CG2-CG2 4.5Å; V674-V858 CarbonylContact O-C 3.5Å; V674-V858 WeakPolarHBondContact O-CA 3.47Å; L676-V858 HydrophobicContact CB-CG1 3.75Å; M838-V858 HydrophobicContact CE-CG1 3.95Å; M838-V858 HydrophobicContact SD-CG1 4.33Å; M838-V858 HydrophobicContact SD-CG2 3.98Å; V858-V860 HydrophobicContact CB-CG2 4.47Å; V858-V860 HydrophobicContact CG1-CG2 3.95Å; V858-V888 HydrophobicContact CG2-CG1 3.55Å; V858-S889 PolarHBondContact N-O 2.82Å; V858-F890 HydrophobicContact CB-CD1 3.63Å; V858-F890 HydrophobicContact CB-CE1 3.83Å; V858-F890 HydrophobicContact CB-CG 4.47Å; V858-F890 HydrophobicContact CG1-CD1 4Å; V858-F890 HydrophobicContact CG1-CE1 4.07Å; V858-F890 HydrophobicContact CG2-CD1 4.07Å; V858-F890 HydrophobicContact CG2-CE1 3.78Å; V858-F890 HydrophobicContact CG2-CZ 4.39Å; V858-F890 WeakPolarHBondContact O-CA 3.42Å; V858-L891 PolarHBondContact O-N 2.72Å
859	G	97.3	Very high	95.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	123.7	168.5	0	0	0	0	0	110.1	C665 C672 V674 G675 L676 L891	C665-G859 WeakPolarHBondContact SG-CA 3.45Å; C672-G859 PolarHBondContact SG-N 2.87Å; V674-G859 PolarHBondContact O-N 2.88Å; G675-G859 CarbonylContact C-O 3.55Å; G675-G859 WeakPolarHBondContact CA-O 3.33Å; L676-G859 PolarHBondContact N-O 3.42Å; G859-L891 CarbonylContact C-O 3.57Å; G859-L891 WeakPolarHBondContact CA-O 3.36Å
860	V	95.9	Very high	95.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	136	-175.1	-164.9	0	0	0	0	112.2	L676 V858 Y865 F890 L891 Q892 S893	L676-V860 HydrophobicContact CB-CG1 4.21Å; L676-V860 HydrophobicContact CB-CG2 4.2Å; L676-V860 HydrophobicContact CD2-CG1 3.94Å; L676-V860 HydrophobicContact CD2-CG2 4.14Å; L676-V860 HydrophobicContact CG-CG1 4.05Å; L676-V860 VanDerWaalsContact O-CA 3.32Å; L676-V860 WeakPolarHBondContact O-CA 3.28Å; V858-V860 HydrophobicContact CB-CG2 4.47Å; V858-V860 HydrophobicContact CG1-CG2 3.95Å; V860-Y865 HydrophobicContact CB-CD1 4.24Å; V860-Y865 HydrophobicContact CB-CE1 3.9Å; V860-Y865 HydrophobicContact CG1-CD1 3.6Å; V860-Y865 HydrophobicContact CG1-CD2 3.74Å; V860-Y865 HydrophobicContact CG1-CE1 3.69Å; V860-Y865 HydrophobicContact CG1-CE2 3.83Å; V860-Y865 HydrophobicContact CG1-CG 3.61Å; V860-Y865 HydrophobicContact CG2-CE1 4.42Å; V860-Y865 HydrophobicContact CG2-CE2 4.47Å; V860-F890 HydrophobicContact CG2-CB 4.24Å; V860-F890 HydrophobicContact CG2-CD1 3.76Å; V860-L891 PolarHBondContact N-O 3.11Å; V860-Q892 WeakPolarHBondContact O-CA 3.4Å; V860-S893 PolarHBondContact O-N 3.12Å
861	D	92.2	Very high	95.2	Very high	24 Å²	24	38.5 Å²	38.5	13%	0.128	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	167.5	167	-154.9	-21.3	0	0	0	110.6	T661 L676 I677 V678 K866 G896	T661-D861 HydrophobicContact CG2-CB 3.91Å; L676-D861 PolarHBondContact O-N 3.29Å; I677-D861 WeakPolarHBondContact CA-O 3.35Å; I677-D861 HydrophobicContact CD1-CB 3.67Å; V678-D861 PolarHBondContact N-O 2.95Å; D861-K866 WeakPolarHBondContact OD1-CE 3.36Å; D861-K866 IonicContact OD1-NZ 2.68Å; D861-K866 PolarHBondContact OD1-NZ 3.16Å; D861-K866 IonicContact OD2-NZ 3.78Å; D861-G896 PolarHBondContact OD2-N 3.44Å
862	G	89.8	Confident	95.2	Very high	9 Å²	9	36.3 Å²	36.3	9%	0.093	20%	0.203	C	C	.	.			trans	126	140.3	175.4	0	0	0	0	0	113.5	V678 L864 Y865 K866	V678-G862 CarbonylContact O-C 3.58Å; V678-G862 VanDerWaalsContact O-CA 3.25Å; V678-G862 WeakPolarHBondContact O-CA 3.42Å; G862-L864 PolarHBondContact O-N 2.95Å; G862-Y865 PolarHBondContact O-N 3.39Å; G862-K866 WeakPolarHBondContact O-CB 3.33Å; G862-K866 VanDerWaalsContact O-CG 3.24Å; G862-K866 WeakPolarHBondContact O-CG 3.42Å; G862-K866 PolarHBondContact O-N 2.75Å
863	T	89.3	Confident	95.3	Very high	70 Å²	70	35.4 Å²	35.4	43%	0.429	19%	0.192	S	C	.	.	H	α-helix	trans	-61.9	-38.2	-173.8	48.6	0	0	0	0	113.6	K866 L867	T863-K866 PolarHBondContact O-N 3.35Å; T863-L867 VanDerWaalsContact O-CB 3.23Å; T863-L867 WeakPolarHBondContact O-CB 3.15Å; T863-L867 VanDerWaalsContact O-CG 3.26Å; T863-L867 WeakPolarHBondContact O-CG 3.28Å; T863-L867 PolarHBondContact O-N 2.87Å
864	L	92.8	Very high	95.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.4	-45.7	178.6	174.8	65.3	0	0	0	110.7	V678 I745 L750 T784 G862 K866 H868 F871	V678-L864 HydrophobicContact CG1-CB 4.25Å; V678-L864 HydrophobicContact CG1-CD2 3.87Å; V678-L864 HydrophobicContact CG1-CG 4.24Å; V678-L864 PolarHBondContact O-N 2.83Å; I745-L864 WeakPolarHBondContact O-CD2 3.33Å; L750-L864 HydrophobicContact CD1-CD1 4.23Å; L750-L864 HydrophobicContact CD1-CD2 3.65Å; T784-L864 HydrophobicContact CG2-CB 3.85Å; T784-L864 HydrophobicContact CG2-CD1 3.72Å; T784-L864 HydrophobicContact CG2-CG 4.39Å; G862-L864 PolarHBondContact O-N 2.95Å; L864-K866 VanDerWaalsContact C-N 3.34Å; L864-K866 PolarHBondContact O-N 3.47Å; L864-H868 HydrophobicContact CD1-CB 3.92Å; L864-H868 WeakPolarHBondContact O-CB 3.42Å; L864-H868 PolarHBondContact O-N 3.09Å; L864-F871 HydrophobicContact CD1-CD2 4.46Å; L864-F871 HydrophobicContact CD2-CD2 4.04Å; L864-F871 HydrophobicContact CD2-CE2 3.81Å; L864-F871 HydrophobicContact CD2-CZ 4.42Å; L864-F871 HydrophobicContact CG-CD2 4.11Å; L864-F871 HydrophobicContact CG-CE2 4.33Å; L864-F871 HydrophobicContact CG-CG 4.48Å
865	Y	95.1	Very high	95.3	Very high	12 Å²	12	32.6 Å²	32.6	5%	0.047	17%	0.168	C	C	.	.	H	α-helix	trans	-61.7	-42.1	176.8	-175.9	-91	0	0	0	112.6	V678 V860 G862 F871 A872 M875 H876	V678-Y865 PolarHBondContact O-N 3.2Å; V678-Y865 VanDerWaalsContact O-N 3.14Å; V860-Y865 HydrophobicContact CB-CD1 4.24Å; V860-Y865 HydrophobicContact CB-CE1 3.9Å; V860-Y865 HydrophobicContact CG1-CD1 3.6Å; V860-Y865 HydrophobicContact CG1-CD2 3.74Å; V860-Y865 HydrophobicContact CG1-CE1 3.69Å; V860-Y865 HydrophobicContact CG1-CE2 3.83Å; V860-Y865 HydrophobicContact CG1-CG 3.61Å; V860-Y865 HydrophobicContact CG2-CE1 4.42Å; V860-Y865 HydrophobicContact CG2-CE2 4.47Å; G862-Y865 PolarHBondContact O-N 3.39Å; Y865-F871 HydrophobicContact CD2-CD1 4.23Å; Y865-A872 HydrophobicContact CD2-CB 4Å; Y865-A872 HydrophobicContact CE1-CB 4.19Å; Y865-A872 HydrophobicContact CE2-CB 3.52Å; Y865-M875 HydrophobicContact CD2-CE 4.4Å; Y865-M875 HydrophobicContact CE2-CE 3.69Å; Y865-H876 AromaticContact CE2-NE2 3.93Å; Y865-H876 AromaticContact CZ-NE2 3.75Å; Y865-H876 PolarHBondContact OH-CE1 3.38Å; Y865-H876 VanDerWaalsContact OH-CE1 3.29Å; Y865-H876 PolarHBondContact OH-NE2 2.92Å
866	K	91.7	Very high	95.4	Very high	68 Å²	68	30.1 Å²	30.1	30%	0.296	16%	0.158	S	C	.	.	H	α-helix	trans	-73.3	-39.3	-176.6	-68.3	-178	169.3	173.3	0	113.6	D861 G862 T863 L864 Q892 S893	D861-K866 WeakPolarHBondContact OD1-CE 3.36Å; D861-K866 IonicContact OD1-NZ 2.68Å; D861-K866 PolarHBondContact OD1-NZ 3.16Å; D861-K866 IonicContact OD2-NZ 3.78Å; G862-K866 WeakPolarHBondContact O-CB 3.33Å; G862-K866 VanDerWaalsContact O-CG 3.24Å; G862-K866 WeakPolarHBondContact O-CG 3.42Å; G862-K866 PolarHBondContact O-N 2.75Å; T863-K866 PolarHBondContact O-N 3.35Å; L864-K866 VanDerWaalsContact C-N 3.34Å; L864-K866 PolarHBondContact O-N 3.47Å; K866-Q892 HydrophobicContact CG-CG 4.24Å; K866-S893 WeakPolarHBondContact CE-O 3.37Å; K866-S893 PolarHBondContact NZ-O 3.44Å
867	L	90.8	Very high	95.4	Very high	107 Å²	107	34.5 Å²	34.5	56%	0.56	18%	0.178	S	C	*	.	H	α-helix	trans	-97.8	-27	-169.9	-60.4	177.7	0	0	0	113.4	S788 T863	S788-L867 WeakPolarHBondContact CB-O 2.85Å; T863-L867 VanDerWaalsContact O-CB 3.23Å; T863-L867 WeakPolarHBondContact O-CB 3.15Å; T863-L867 VanDerWaalsContact O-CG 3.26Å; T863-L867 WeakPolarHBondContact O-CG 3.28Å; T863-L867 PolarHBondContact O-N 2.87Å
868	H	94.7	Very high	95.4	Very high	10 Å²	10	34.9 Å²	34.9	5%	0.046	18%	0.18	C	C	.	.			trans	-75.4	127.7	-174.8	-164.2	-82.8	0	0	0	111.2	E791 A827 L864 H870 F871	E791-H868 IonicContact OE1-CE1 2.74Å; E791-H868 IonicContact OE1-NE2 3.67Å; E791-H868 PolarHBondContact OE1-NE2 2.94Å; E791-H868 VanDerWaalsContact OE1-NE2 3.16Å; E791-H868 IonicContact OE2-CE1 2.85Å; A827-H868 WeakPolarHBondContact CB-NE2 3.47Å; L864-H868 HydrophobicContact CD1-CB 3.92Å; L864-H868 WeakPolarHBondContact O-CB 3.42Å; L864-H868 PolarHBondContact O-N 3.09Å; H868-H870 VanDerWaalsContact C-N 3.27Å; H868-H870 PolarHBondContact ND1-N 3.3Å; H868-H870 PolarHBondContact O-N 3.06Å; H868-F871 HydrophobicContact CB-CB 3.73Å; H868-F871 PolarHBondContact ND1-N 3.4Å
869	P	93.6	Very high	95.4	Very high	53 Å²	53	34.9 Å²	34.9	34%	0.344	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-34.5	-172	21.9	-32.6	0	0	0	113.3	E791	E791-P869 HydrophobicContact CB-CG 3.87Å; E791-P869 WeakPolarHBondContact O-CG 3.36Å
870	H	95.8	Very high	95.5	Very high	47 Å²	47	42.1 Å²	42.1	22%	0.218	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-13.9	-170.4	-57.4	-54.1	0	0	0	115.1	E791 D793 H868 K873 V874	E791-H870 PolarHBondContact O-NE2 3.16Å; E791-H870 IonicContact OE2-CD2 2.97Å; D793-H870 IonicContact OD1-CE1 2.66Å; D793-H870 PolarHBondContact OD1-CE1 3.2Å; D793-H870 IonicContact OD1-NE2 2.71Å; D793-H870 PolarHBondContact OD1-NE2 3.24Å; D793-H870 IonicContact OD2-CE1 3.13Å; D793-H870 PolarHBondContact OD2-CE1 3.49Å; D793-H870 VanDerWaalsContact OD2-CE1 3.31Å; H868-H870 VanDerWaalsContact C-N 3.27Å; H868-H870 PolarHBondContact ND1-N 3.3Å; H868-H870 PolarHBondContact O-N 3.06Å; H870-K873 PolarHBondContact O-N 3.06Å; H870-V874 WeakPolarHBondContact O-CG2 3.29Å; H870-V874 PolarHBondContact O-N 2.85Å
871	F	97.8	Very high	95.6	Very high	1 Å²	1	46.9 Å²	46.9	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-66.7	-51.9	-165.2	-172.2	-76.1	0	0	0	111.5	V678 I745 A830 A831 C834 L864 Y865 H868 K873 V874 M875	V678-F871 HydrophobicContact CB-CE1 4.46Å; V678-F871 HydrophobicContact CG1-CE1 3.75Å; V678-F871 HydrophobicContact CG1-CE2 4.38Å; V678-F871 HydrophobicContact CG1-CZ 3.65Å; V678-F871 HydrophobicContact CG2-CE1 4.37Å; I745-F871 HydrophobicContact CG2-CZ 4.16Å; A830-F871 HydrophobicContact CB-CE2 3.79Å; A831-F871 HydrophobicContact CB-CD1 4.21Å; A831-F871 HydrophobicContact CB-CD2 3.84Å; A831-F871 HydrophobicContact CB-CE1 4.28Å; A831-F871 HydrophobicContact CB-CE2 3.95Å; A831-F871 HydrophobicContact CB-CG 3.97Å; A831-F871 HydrophobicContact CB-CZ 4.15Å; A831-F871 WeakPolarHBondContact CB-O 3.4Å; C834-F871 HydrophobicContact CB-CE1 4.44Å; C834-F871 HydrophobicContact CB-CZ 4.1Å; L864-F871 HydrophobicContact CD1-CD2 4.46Å; L864-F871 HydrophobicContact CD2-CD2 4.04Å; L864-F871 HydrophobicContact CD2-CE2 3.81Å; L864-F871 HydrophobicContact CD2-CZ 4.42Å; L864-F871 HydrophobicContact CG-CD2 4.11Å; L864-F871 HydrophobicContact CG-CE2 4.33Å; L864-F871 HydrophobicContact CG-CG 4.48Å; Y865-F871 HydrophobicContact CD2-CD1 4.23Å; H868-F871 HydrophobicContact CB-CB 3.73Å; H868-F871 PolarHBondContact ND1-N 3.4Å; F871-K873 VanDerWaalsContact C-N 3.35Å; F871-K873 PolarHBondContact O-N 2.83Å; F871-V874 PolarHBondContact O-N 2.99Å; F871-M875 HydrophobicContact CE1-CB 4.44Å; F871-M875 WeakPolarHBondContact O-CB 3.47Å; F871-M875 PolarHBondContact O-N 3.13Å
872	A	97.4	Very high	95.9	Very high	21 Å²	21	46 Å²	46	17%	0.174	23%	0.233	C	C	.	.	H	α-helix	trans	-58.3	-47.9	-179.5	0	0	0	0	0	111.3	Y865 V874 M875 H876	Y865-A872 HydrophobicContact CD2-CB 4Å; Y865-A872 HydrophobicContact CE1-CB 4.19Å; Y865-A872 HydrophobicContact CE2-CB 3.52Å; A872-V874 PolarHBondContact O-N 3.01Å; A872-M875 PolarHBondContact O-N 2.88Å; A872-H876 PolarHBondContact O-CD2 3.44Å; A872-H876 PolarHBondContact O-N 3.37Å
873	K	97.9	Very high	96.3	Very high	126 Å²	126	45.5 Å²	45.5	55%	0.548	23%	0.228	S	C	.	.	H	α-helix	trans	-57.3	-53	179.3	-178.8	-177.1	172.9	-173.1	0	112.2	H870 F871 M875 H876 E877	H870-K873 PolarHBondContact O-N 3.06Å; F871-K873 VanDerWaalsContact C-N 3.35Å; F871-K873 PolarHBondContact O-N 2.83Å; K873-M875 VanDerWaalsContact C-N 3.29Å; K873-M875 PolarHBondContact O-N 3.02Å; K873-H876 PolarHBondContact O-N 3.28Å; K873-E877 WeakPolarHBondContact CE-OE1 3.26Å; K873-E877 WeakPolarHBondContact O-CG 3.49Å; K873-E877 PolarHBondContact O-N 3.18Å
874	V	98.5	Very high	96.7	Very high	21 Å²	21	47.1 Å²	47.1	13%	0.127	24%	0.239	C	C	.	.	H	α-helix	trans	-62.7	-38.9	-179.7	171.9	0	0	0	0	111.1	R828 A831 Q832 H870 F871 A872 T878	R828-V874 HydrophobicContact CG-CG1 4.05Å; A831-V874 HydrophobicContact CB-CB 3.82Å; A831-V874 HydrophobicContact CB-CG1 3.71Å; Q832-V874 HydrophobicContact CG-CG1 3.8Å; H870-V874 WeakPolarHBondContact O-CG2 3.29Å; H870-V874 PolarHBondContact O-N 2.85Å; F871-V874 PolarHBondContact O-N 2.99Å; A872-V874 PolarHBondContact O-N 3.01Å; V874-T878 WeakPolarHBondContact O-CB 3.5Å; V874-T878 PolarHBondContact O-N 2.9Å; V874-T878 PolarHBondContact O-OG1 3.31Å
875	M	98.6	Very high	96.9	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-44.9	177.5	-170.3	-83.6	-72.5	0	0	111.2	L676 A831 C834 Y865 F871 A872 K873 T878 V879 F890	L676-M875 HydrophobicContact CD2-CE 3.7Å; A831-M875 HydrophobicContact CB-CB 4.26Å; C834-M875 HydrophobicContact CB-CG 4.18Å; Y865-M875 HydrophobicContact CD2-CE 4.4Å; Y865-M875 HydrophobicContact CE2-CE 3.69Å; F871-M875 HydrophobicContact CE1-CB 4.44Å; F871-M875 WeakPolarHBondContact O-CB 3.47Å; F871-M875 PolarHBondContact O-N 3.13Å; A872-M875 PolarHBondContact O-N 2.88Å; K873-M875 VanDerWaalsContact C-N 3.29Å; K873-M875 PolarHBondContact O-N 3.02Å; M875-T878 PolarHBondContact O-N 3.46Å; M875-V879 WeakPolarHBondContact O-CG2 3.3Å; M875-V879 PolarHBondContact O-N 2.74Å; M875-V879 HydrophobicContact SD-CG2 3.71Å; M875-F890 HydrophobicContact CE-CD1 3.83Å; M875-F890 HydrophobicContact CE-CE1 3.47Å; M875-F890 VanDerWaalsContact CE-CE1 3.47Å; M875-F890 HydrophobicContact CE-CZ 3.97Å; M875-F890 HydrophobicContact SD-CE1 3.83Å; M875-F890 HydrophobicContact SD-CZ 3.81Å
876	H	98.5	Very high	97.1	Very high	61 Å²	61	52.6 Å²	52.6	28%	0.282	27%	0.265	S	S	.	.	H	α-helix	trans	-61.8	-46.3	177.2	-60.3	170.5	0	0	0	112.3	Y865 A872 K873 T878 V879 K880 F890	Y865-H876 AromaticContact CE2-NE2 3.93Å; Y865-H876 AromaticContact CZ-NE2 3.75Å; Y865-H876 PolarHBondContact OH-CE1 3.38Å; Y865-H876 VanDerWaalsContact OH-CE1 3.29Å; Y865-H876 PolarHBondContact OH-NE2 2.92Å; A872-H876 PolarHBondContact O-CD2 3.44Å; A872-H876 PolarHBondContact O-N 3.37Å; K873-H876 PolarHBondContact O-N 3.28Å; H876-T878 VanDerWaalsContact C-N 3.29Å; H876-T878 PolarHBondContact O-N 3.46Å; H876-V879 PolarHBondContact O-N 3.28Å; H876-K880 WeakPolarHBondContact O-CB 3.41Å; H876-K880 PolarHBondContact O-N 2.91Å; H876-F890 HydrophobicContact CB-CD2 4.43Å; H876-F890 HydrophobicContact CB-CE2 4.26Å; H876-F890 AromaticContact CD2-CD2 3.12Å; H876-F890 WeakPolarHBondContact CD2-CD2 3.39Å; H876-F890 AromaticContact CD2-CE2 3.35Å; H876-F890 WeakPolarHBondContact CD2-CE2 3.26Å; H876-F890 AromaticContact CD2-CG 3.48Å; H876-F890 VanDerWaalsContact CD2-CG 3.48Å; H876-F890 WeakPolarHBondContact CD2-CG 3.49Å; H876-F890 AromaticContact CD2-CZ 3.89Å; H876-F890 AromaticContact CE1-CD2 3.92Å; H876-F890 AromaticContact CG-CD2 3.68Å; H876-F890 AromaticContact CG-CE2 3.9Å; H876-F890 WeakPolarHBondContact NE2-CB 3.49Å; H876-F890 AromaticContact NE2-CD1 3.87Å; H876-F890 AromaticContact NE2-CD2 3.32Å; H876-F890 VanDerWaalsContact NE2-CD2 3.32Å; H876-F890 WeakPolarHBondContact NE2-CD2 3.42Å; H876-F890 AromaticContact NE2-CG 3.23Å; H876-F890 WeakPolarHBondContact NE2-CG 3.33Å
877	E	98.5	Very high	97.4	Very high	92 Å²	92	54.1 Å²	54.1	43%	0.43	28%	0.276	S	S	.	.	H	α-helix	trans	-58	-45	175.2	-72.8	171.7	177.5	0	0	110.5	K873 V879 K880 D881	K873-E877 WeakPolarHBondContact CE-OE1 3.26Å; K873-E877 WeakPolarHBondContact O-CG 3.49Å; K873-E877 PolarHBondContact O-N 3.18Å; E877-V879 PolarHBondContact O-N 3.24Å; E877-K880 PolarHBondContact O-N 2.96Å; E877-D881 WeakPolarHBondContact O-CB 3.49Å; E877-D881 VanDerWaalsContact O-CG 3.28Å; E877-D881 PolarHBondContact O-N 3.19Å
878	T	98.8	Very high	97.7	Very high	10 Å²	10	50.2 Å²	50.2	6%	0.061	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-43.2	178.5	-55.1	0	0	0	0	112.3	L484 Q832 V874 M875 H876 K880 D881 L882	L484-T878 HydrophobicContact CD1-CG2 4.21Å; Q832-T878 HydrophobicContact CB-CG2 4.37Å; Q832-T878 WeakPolarHBondContact O-CG2 3.39Å; V874-T878 WeakPolarHBondContact O-CB 3.5Å; V874-T878 PolarHBondContact O-N 2.9Å; V874-T878 PolarHBondContact O-OG1 3.31Å; M875-T878 PolarHBondContact O-N 3.46Å; H876-T878 VanDerWaalsContact C-N 3.29Å; H876-T878 PolarHBondContact O-N 3.46Å; T878-K880 VanDerWaalsContact C-N 3.33Å; T878-K880 PolarHBondContact O-N 3.48Å; T878-D881 PolarHBondContact O-N 3.18Å; T878-L882 HydrophobicContact CG2-CD1 3.52Å; T878-L882 HydrophobicContact CG2-CG 4.14Å; T878-L882 WeakPolarHBondContact O-CB 3.43Å; T878-L882 VanDerWaalsContact O-CG 3.22Å; T878-L882 WeakPolarHBondContact O-CG 3.23Å; T878-L882 PolarHBondContact O-N 2.73Å
879	V	98.8	Very high	97.9	Very high	1 Å²	1	52 Å²	52	1%	0.006	27%	0.271	C	S	.	.	H	α-helix	trans	-61.8	-44.2	176.7	172.1	0	0	0	0	110.8	G835 M838 V842 M875 H876 E877 D881 L882 A883 V888 F890	G835-V879 WeakPolarHBondContact O-CG2 3.29Å; M838-V879 HydrophobicContact CB-CG2 3.78Å; M838-V879 HydrophobicContact CG-CG2 3.87Å; V842-V879 HydrophobicContact CG2-CG1 4.48Å; M875-V879 WeakPolarHBondContact O-CG2 3.3Å; M875-V879 PolarHBondContact O-N 2.74Å; M875-V879 HydrophobicContact SD-CG2 3.71Å; H876-V879 PolarHBondContact O-N 3.28Å; E877-V879 PolarHBondContact O-N 3.24Å; V879-D881 PolarHBondContact O-N 2.85Å; V879-L882 PolarHBondContact O-N 3.17Å; V879-A883 WeakPolarHBondContact O-CB 3.1Å; V879-A883 PolarHBondContact O-N 3.25Å; V879-V888 HydrophobicContact CG1-CB 4.22Å; V879-V888 HydrophobicContact CG1-CG1 4.47Å; V879-V888 HydrophobicContact CG1-CG2 3.92Å; V879-F890 HydrophobicContact CB-CZ 4.29Å; V879-F890 HydrophobicContact CG1-CZ 4.27Å; V879-F890 HydrophobicContact CG2-CZ 4.07Å
880	K	98.3	Very high	98.1	Very high	152 Å²	152	51.4 Å²	51.4	66%	0.661	26%	0.263	S	S	*	.	H	α-helix	trans	-62.2	-42.9	178.5	-175.4	179.1	179.8	179.4	0	112.2	H876 E877 T878 P884	H876-K880 WeakPolarHBondContact O-CB 3.41Å; H876-K880 PolarHBondContact O-N 2.91Å; E877-K880 PolarHBondContact O-N 2.96Å; T878-K880 VanDerWaalsContact C-N 3.33Å; T878-K880 PolarHBondContact O-N 3.48Å; K880-P884 WeakPolarHBondContact O-CA 3.29Å
881	D	98.2	Very high	98.1	Very high	100 Å²	100	51.8 Å²	51.8	54%	0.535	27%	0.266	S	S	.	.	H	α-helix	trans	-69.1	-39.2	-179.8	-73.1	-9.7	0	0	0	112	E877 T878 V879	E877-D881 WeakPolarHBondContact O-CB 3.49Å; E877-D881 VanDerWaalsContact O-CG 3.28Å; E877-D881 PolarHBondContact O-N 3.19Å; T878-D881 PolarHBondContact O-N 3.18Å; V879-D881 PolarHBondContact O-N 2.85Å
882	L	98.6	Very high	97.8	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-86.8	-26	-175.9	-61.3	176.3	0	0	0	113.4	L484 L485 K488 A836 A839 T878 V879 P884	L484-L882 HydrophobicContact CB-CD1 3.88Å; L484-L882 HydrophobicContact CB-CD2 3.99Å; L485-L882 HydrophobicContact CD2-CD2 3.69Å; L485-L882 HydrophobicContact CG-CD2 3.76Å; K488-L882 HydrophobicContact CD-CB 4.25Å; K488-L882 PolarHBondContact NZ-O 3.41Å; A836-L882 HydrophobicContact CB-CD1 3.76Å; A839-L882 HydrophobicContact CB-CB 3.71Å; A839-L882 HydrophobicContact CB-CD1 4.4Å; T878-L882 HydrophobicContact CG2-CD1 3.52Å; T878-L882 HydrophobicContact CG2-CG 4.14Å; T878-L882 WeakPolarHBondContact O-CB 3.43Å; T878-L882 VanDerWaalsContact O-CG 3.22Å; T878-L882 WeakPolarHBondContact O-CG 3.23Å; T878-L882 PolarHBondContact O-N 2.73Å; V879-L882 PolarHBondContact O-N 3.17Å; L882-P884 VanDerWaalsContact C-CD 3.41Å
883	A	98.1	Very high	97.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.281	C	S	.	.			trans	-124.8	63.1	177.4	0	0	0	0	0	111.4	A839 V842 V879 K885 C886	A839-A883 HydrophobicContact CB-CB 4.05Å; V842-A883 HydrophobicContact CG2-CB 3.83Å; V879-A883 WeakPolarHBondContact O-CB 3.1Å; V879-A883 PolarHBondContact O-N 3.25Å; A883-K885 PolarHBondContact O-N 3.39Å; A883-C886 HydrophobicContact CB-CB 4.27Å; A883-C886 PolarHBondContact O-N 3.11Å
884	P	97.8	Very high	96.1	Very high	103 Å²	103	58.7 Å²	58.7	67%	0.669	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-10.4	-172.3	28.3	-37.4	0	0	0	114.5	K880 L882	K880-P884 WeakPolarHBondContact O-CA 3.29Å; L882-P884 VanDerWaalsContact C-CD 3.41Å
885	K	98.3	Very high	94.9	Very high	116 Å²	116	58.9 Å²	58.9	50%	0.504	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	0	174.8	-64.5	-175.2	177.3	-172.1	0	113	A853 L854 A883	A853-K885 VanDerWaalsContact CA-O 3.22Å; A853-K885 WeakPolarHBondContact CA-O 3.45Å; L854-K885 PolarHBondContact N-O 3.49Å; A883-K885 PolarHBondContact O-N 3.39Å
886	C	98.2	Very high	93.5	Very high	11 Å²	11	58.9 Å²	58.9	7%	0.074	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118.5	179.2	-62.1	0	0	0	0	109.3	V842 L854 A883 V888	V842-C886 HydrophobicContact CB-CB 4.2Å; V842-C886 HydrophobicContact CG2-CB 3.89Å; L854-C886 CarbonylContact O-C 3.59Å; L854-C886 WeakPolarHBondContact O-CA 3.38Å; A883-C886 HydrophobicContact CB-CB 4.27Å; A883-C886 PolarHBondContact O-N 3.11Å; C886-V888 HydrophobicContact CB-CG2 3.77Å; C886-V888 PolarHBondContact O-N 2.82Å
887	D	97.9	Very high	92.6	Very high	100 Å²	100	56.5 Å²	56.5	54%	0.535	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	95.4	167.6	-177.2	24.7	0	0	0	108.3	L854 K855 V856	L854-D887 PolarHBondContact O-N 3.26Å; K855-D887 WeakPolarHBondContact CA-O 3.47Å; V856-D887 PolarHBondContact N-O 3Å
888	V	98.4	Very high	91.9	Very high	25 Å²	25	52.1 Å²	52.1	15%	0.152	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	120.1	-173.1	-171.3	0	0	0	0	110.3	V842 V856 V858 V879 C886 F890	V842-V888 HydrophobicContact CB-CG2 4.15Å; V842-V888 HydrophobicContact CG1-CG1 4.37Å; V842-V888 HydrophobicContact CG1-CG2 3.92Å; V842-V888 HydrophobicContact CG2-CG2 4.01Å; V856-V888 HydrophobicContact CG1-CG1 4.42Å; V856-V888 HydrophobicContact CG1-CG2 4.05Å; V856-V888 WeakPolarHBondContact O-CA 3.5Å; V858-V888 HydrophobicContact CG2-CG1 3.55Å; V879-V888 HydrophobicContact CG1-CB 4.22Å; V879-V888 HydrophobicContact CG1-CG1 4.47Å; V879-V888 HydrophobicContact CG1-CG2 3.92Å; C886-V888 HydrophobicContact CB-CG2 3.77Å; C886-V888 PolarHBondContact O-N 2.82Å; V888-F890 HydrophobicContact CB-CE2 4.22Å; V888-F890 HydrophobicContact CB-CZ 4.49Å; V888-F890 HydrophobicContact CG1-CD2 4.31Å; V888-F890 HydrophobicContact CG1-CE1 4.24Å; V888-F890 HydrophobicContact CG1-CE2 3.68Å; V888-F890 HydrophobicContact CG1-CZ 3.64Å
889	S	97.9	Very high	91.3	Very high	49 Å²	49	52.8 Å²	52.8	34%	0.343	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	141.5	170.8	-65.7	0	0	0	0	110.4	V856 T857 V858	V856-S889 PolarHBondContact O-N 2.98Å; T857-S889 CarbonylContact C-O 3.53Å; T857-S889 VanDerWaalsContact CA-O 3.3Å; T857-S889 WeakPolarHBondContact CA-O 3.49Å; V858-S889 PolarHBondContact N-O 2.82Å
890	F	97.8	Very high	90.9	Very high	40 Å²	40	52.7 Å²	52.7	18%	0.175	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	116.6	177.3	-65.2	-91	0	0	0	109.8	M838 V858 V860 M875 H876 V879 V888	M838-F890 HydrophobicContact CG-CE1 4.23Å; M838-F890 HydrophobicContact CG-CZ 4.33Å; V858-F890 HydrophobicContact CB-CD1 3.63Å; V858-F890 HydrophobicContact CB-CE1 3.83Å; V858-F890 HydrophobicContact CB-CG 4.47Å; V858-F890 HydrophobicContact CG1-CD1 4Å; V858-F890 HydrophobicContact CG1-CE1 4.07Å; V858-F890 HydrophobicContact CG2-CD1 4.07Å; V858-F890 HydrophobicContact CG2-CE1 3.78Å; V858-F890 HydrophobicContact CG2-CZ 4.39Å; V858-F890 WeakPolarHBondContact O-CA 3.42Å; V860-F890 HydrophobicContact CG2-CB 4.24Å; V860-F890 HydrophobicContact CG2-CD1 3.76Å; M875-F890 HydrophobicContact CE-CD1 3.83Å; M875-F890 HydrophobicContact CE-CE1 3.47Å; M875-F890 VanDerWaalsContact CE-CE1 3.47Å; M875-F890 HydrophobicContact CE-CZ 3.97Å; M875-F890 HydrophobicContact SD-CE1 3.83Å; M875-F890 HydrophobicContact SD-CZ 3.81Å; H876-F890 HydrophobicContact CB-CD2 4.43Å; H876-F890 HydrophobicContact CB-CE2 4.26Å; H876-F890 AromaticContact CD2-CD2 3.12Å; H876-F890 WeakPolarHBondContact CD2-CD2 3.39Å; H876-F890 AromaticContact CD2-CE2 3.35Å; H876-F890 WeakPolarHBondContact CD2-CE2 3.26Å; H876-F890 AromaticContact CD2-CG 3.48Å; H876-F890 VanDerWaalsContact CD2-CG 3.48Å; H876-F890 WeakPolarHBondContact CD2-CG 3.49Å; H876-F890 AromaticContact CD2-CZ 3.89Å; H876-F890 AromaticContact CE1-CD2 3.92Å; H876-F890 AromaticContact CG-CD2 3.68Å; H876-F890 AromaticContact CG-CE2 3.9Å; H876-F890 WeakPolarHBondContact NE2-CB 3.49Å; H876-F890 AromaticContact NE2-CD1 3.87Å; H876-F890 AromaticContact NE2-CD2 3.32Å; H876-F890 VanDerWaalsContact NE2-CD2 3.32Å; H876-F890 WeakPolarHBondContact NE2-CD2 3.42Å; H876-F890 AromaticContact NE2-CG 3.23Å; H876-F890 WeakPolarHBondContact NE2-CG 3.33Å; V879-F890 HydrophobicContact CB-CZ 4.29Å; V879-F890 HydrophobicContact CG1-CZ 4.27Å; V879-F890 HydrophobicContact CG2-CZ 4.07Å; V888-F890 HydrophobicContact CB-CE2 4.22Å; V888-F890 HydrophobicContact CB-CZ 4.49Å; V888-F890 HydrophobicContact CG1-CD2 4.31Å; V888-F890 HydrophobicContact CG1-CE1 4.24Å; V888-F890 HydrophobicContact CG1-CE2 3.68Å; V888-F890 HydrophobicContact CG1-CZ 3.64Å
891	L	95.5	Very high	90.5	Very high	55 Å²	55	45.5 Å²	45.5	29%	0.288	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	116.7	179.4	-174.2	62.3	0	0	0	109.2	C665 E668 T857 V858 G859 V860	C665-L891 HydrophobicContact CB-CD2 3.95Å; C665-L891 HydrophobicContact CB-CG 4.5Å; E668-L891 HydrophobicContact CB-CD2 4.29Å; T857-L891 HydrophobicContact CG2-CB 3.95Å; V858-L891 PolarHBondContact O-N 2.72Å; G859-L891 CarbonylContact C-O 3.57Å; G859-L891 WeakPolarHBondContact CA-O 3.36Å; V860-L891 PolarHBondContact N-O 3.11Å
892	Q	93	Very high	90.2	Very high	99 Å²	99	40.7 Å²	40.7	46%	0.463	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	129.7	177.7	-176.9	179.6	-39	0	0	110.2	V860 K866	V860-Q892 WeakPolarHBondContact O-CA 3.4Å; K866-Q892 HydrophobicContact CG-CG 4.24Å
893	S	85.9	Confident	89.9	Confident	5 Å²	5	40.5 Å²	40.5	4%	0.035	21%	0.211	C	C	.	.			trans	-87	137.7	173	-162.5	0	0	0	0	111.7	T664 V860 K866 G896	T664-S893 VanDerWaalsContact CG2-OG 3.25Å; T664-S893 WeakPolarHBondContact CG2-OG 3.22Å; V860-S893 PolarHBondContact O-N 3.12Å; K866-S893 WeakPolarHBondContact CE-O 3.37Å; K866-S893 PolarHBondContact NZ-O 3.44Å; S893-G896 WeakPolarHBondContact OG-CA 3.36Å; S893-G896 PolarHBondContact OG-N 3.28Å; S893-G896 VanDerWaalsContact OG-N 3.11Å
894	E	73.3	Confident	89.6	Confident	188 Å²	188	40.6 Å²	40.6	88%	0.879	21%	0.211	S	C	*	.	S	Bend	trans	-79.9	-34.5	171.2	-67.3	-165.7	162.7	0	0	112.2
895	D	72.8	Confident	89.3	Confident	25 Å²	25	35.7 Å²	35.7	13%	0.134	18%	0.18	C	C	.	.	S	Bend	trans	-145.1	63.3	179.8	-161.5	-4.2	0	0	0	111.5	R539 M555 K899	R539-D895 IonicContact CZ-OD1 3.24Å; R539-D895 VanDerWaalsContact NH1-CG 3.27Å; R539-D895 IonicContact NH1-OD1 2.72Å; R539-D895 PolarHBondContact NH1-OD1 3.4Å; R539-D895 IonicContact NH1-OD2 2.72Å; R539-D895 PolarHBondContact NH1-OD2 2.97Å; R539-D895 IonicContact NH2-OD1 2.98Å; R539-D895 PolarHBondContact NH2-OD1 3.37Å; M555-D895 HydrophobicContact CE-CB 4.14Å; M555-D895 VanDerWaalsContact CE-OD2 3.25Å; M555-D895 WeakPolarHBondContact CE-OD2 3.28Å; D895-K899 WeakPolarHBondContact O-CB 3.29Å; D895-K899 PolarHBondContact O-N 2.93Å
896	G	69.3	Low	88.9	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-65.6	-45.2	-164.4	0	0	0	0	0	114.7	G660 T661 T664 D861 S893 G900	G660-G896 CarbonylContact C-O 3.46Å; T661-G896 PolarHBondContact N-O 3.44Å; T664-G896 PolarHBondContact OG1-O 3.33Å; D861-G896 PolarHBondContact OD2-N 3.44Å; S893-G896 WeakPolarHBondContact OG-CA 3.36Å; S893-G896 PolarHBondContact OG-N 3.28Å; S893-G896 VanDerWaalsContact OG-N 3.11Å; G896-G900 PolarHBondContact O-N 2.94Å
897	S	78.8	Confident	88.5	Confident	11 Å²	11	30 Å²	30	8%	0.077	16%	0.155	C	C	.	.	H	α-helix	trans	-72.9	-40.9	-176.6	49.8	0	0	0	0	113.2	D532 R539 T601 A901	D532-S897 WeakPolarHBondContact OD1-CB 3.38Å; D532-S897 PolarHBondContact OD1-OG 3.02Å; D532-S897 VanDerWaalsContact OD1-OG 3.09Å; D532-S897 PolarHBondContact OD2-OG 2.95Å; R539-S897 PolarHBondContact NH2-OG 2.69Å; T601-S897 PolarHBondContact OG1-O 2.63Å; S897-A901 PolarHBondContact O-N 3.42Å; S897-A901 VanDerWaalsContact O-N 3.14Å
898	G	84.2	Confident	88	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-74.4	-53	-176	0	0	0	0	0	113.3	A530 G900 A901 A902	A530-G898 WeakPolarHBondContact CB-O 3.12Å; G898-G900 PolarHBondContact O-N 3.05Å; G898-A901 PolarHBondContact O-N 3.46Å; G898-A902 PolarHBondContact O-N 3.18Å
899	K	87.1	Confident	87.5	Confident	24 Å²	24	25.7 Å²	25.7	10%	0.104	13%	0.133	C	C	.	.	H	α-helix	trans	-60.1	-37.7	175.1	-178.2	169.6	160.2	-169.4	0	111	V553 M555 T664 E668 D895 A902 L903	V553-K899 HydrophobicContact CG1-CD 4.33Å; V553-K899 HydrophobicContact CG1-CG 4.34Å; M555-K899 HydrophobicContact CE-CB 3.89Å; M555-K899 HydrophobicContact SD-CB 3.66Å; M555-K899 HydrophobicContact SD-CD 3.96Å; M555-K899 HydrophobicContact SD-CG 3.97Å; T664-K899 HydrophobicContact CG2-CB 4.1Å; T664-K899 HydrophobicContact CG2-CD 3.72Å; T664-K899 HydrophobicContact CG2-CG 4.05Å; T664-K899 WeakPolarHBondContact OG1-CB 3.5Å; E668-K899 IonicContact OE1-NZ 2.62Å; E668-K899 PolarHBondContact OE1-NZ 2.93Å; D895-K899 WeakPolarHBondContact O-CB 3.29Å; D895-K899 PolarHBondContact O-N 2.93Å; K899-A902 PolarHBondContact O-N 3.45Å; K899-L903 HydrophobicContact CG-CD1 3.94Å; K899-L903 WeakPolarHBondContact O-CG 3.47Å; K899-L903 PolarHBondContact O-N 3.21Å
900	G	88.8	Confident	86.8	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.4	-47.4	-178.5	0	0	0	0	0	113.3	G660 T664 G896 G898 A902 L903 I904	G660-G900 WeakPolarHBondContact O-CA 3.37Å; T664-G900 WeakPolarHBondContact OG1-CA 3.39Å; T664-G900 PolarHBondContact OG1-N 2.64Å; G896-G900 PolarHBondContact O-N 2.94Å; G898-G900 PolarHBondContact O-N 3.05Å; G900-A902 VanDerWaalsContact C-N 3.31Å; G900-A902 PolarHBondContact O-N 3.1Å; G900-L903 PolarHBondContact O-N 3.38Å; G900-I904 WeakPolarHBondContact O-CD1 3.45Å; G900-I904 VanDerWaalsContact O-CG1 3.28Å; G900-I904 WeakPolarHBondContact O-CG1 3.46Å; G900-I904 PolarHBondContact O-N 2.91Å
901	A	91.3	Very high	86	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.7	-41	176.5	0	0	0	0	0	112.8	A530 T601 V655 S897 G898 I904 T905	A530-A901 HydrophobicContact CB-CB 3.97Å; T601-A901 WeakPolarHBondContact OG1-CB 3.41Å; V655-A901 HydrophobicContact CG2-CB 3.93Å; S897-A901 PolarHBondContact O-N 3.42Å; S897-A901 VanDerWaalsContact O-N 3.14Å; G898-A901 PolarHBondContact O-N 3.46Å; A901-I904 PolarHBondContact O-N 3.08Å; A901-T905 WeakPolarHBondContact O-CB 3.42Å; A901-T905 PolarHBondContact O-N 2.69Å; A901-T905 PolarHBondContact O-OG1 3.2Å
902	A	91.6	Very high	85.3	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.5	-41.8	175.3	0	0	0	0	0	112.2	F528 A530 V543 G898 K899 G900 T905 A906	F528-A902 HydrophobicContact CB-CB 3.9Å; A530-A902 HydrophobicContact CB-CB 4.42Å; V543-A902 HydrophobicContact CB-CB 3.4Å; V543-A902 VanDerWaalsContact CB-CB 3.4Å; V543-A902 HydrophobicContact CG1-CB 3.64Å; V543-A902 HydrophobicContact CG2-CB 3.54Å; G898-A902 PolarHBondContact O-N 3.18Å; K899-A902 PolarHBondContact O-N 3.45Å; G900-A902 VanDerWaalsContact C-N 3.31Å; G900-A902 PolarHBondContact O-N 3.1Å; A902-T905 WeakPolarHBondContact O-CB 3.4Å; A902-T905 PolarHBondContact O-N 3.22Å; A902-A906 WeakPolarHBondContact O-CB 3.36Å; A902-A906 PolarHBondContact O-N 2.96Å
903	L	91.1	Very high	84.5	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.4	-39.1	177	-73	167.3	0	0	0	112.3	P520 V545 F667 K899 G900 T905 A906 V907	P520-L903 HydrophobicContact CG-CB 4.48Å; V545-L903 HydrophobicContact CG2-CD2 4.37Å; F667-L903 HydrophobicContact CB-CD1 3.66Å; F667-L903 HydrophobicContact CB-CD2 4.42Å; F667-L903 HydrophobicContact CD2-CD1 4.36Å; F667-L903 HydrophobicContact CD2-CD2 3.55Å; F667-L903 HydrophobicContact CE2-CD2 3.97Å; F667-L903 HydrophobicContact CG-CD1 4.05Å; F667-L903 HydrophobicContact CG-CD2 4.03Å; K899-L903 HydrophobicContact CG-CD1 3.94Å; K899-L903 WeakPolarHBondContact O-CG 3.47Å; K899-L903 PolarHBondContact O-N 3.21Å; G900-L903 PolarHBondContact O-N 3.38Å; L903-T905 VanDerWaalsContact C-N 3.33Å; L903-A906 WeakPolarHBondContact O-CB 3.29Å; L903-A906 PolarHBondContact O-N 3.44Å; L903-V907 WeakPolarHBondContact O-CG2 3.29Å; L903-V907 PolarHBondContact O-N 2.93Å
904	I	92.4	Very high	83.7	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-64.2	-42.7	174.7	-69.1	163	0	0	0	110.5	V516 L611 A653 V655 V659 M663 G900 A901 A906 V907 A908	V516-I904 HydrophobicContact CG2-CD1 4.44Å; V516-I904 HydrophobicContact CG2-CG1 4.5Å; V516-I904 HydrophobicContact CG2-CG2 3.86Å; L611-I904 HydrophobicContact CD1-CG2 4.27Å; A653-I904 HydrophobicContact CB-CG2 4.04Å; V655-I904 HydrophobicContact CB-CD1 4.25Å; V655-I904 HydrophobicContact CG1-CD1 3.17Å; V655-I904 HydrophobicContact CG2-CD1 4.22Å; V659-I904 HydrophobicContact CG1-CD1 3.91Å; M663-I904 HydrophobicContact CB-CD1 4.12Å; M663-I904 HydrophobicContact CB-CG1 3.94Å; M663-I904 HydrophobicContact CE-CG1 3.74Å; M663-I904 HydrophobicContact CG-CD1 3.68Å; M663-I904 HydrophobicContact CG-CG1 3.54Å; M663-I904 HydrophobicContact SD-CG1 4.4Å; G900-I904 WeakPolarHBondContact O-CD1 3.45Å; G900-I904 VanDerWaalsContact O-CG1 3.28Å; G900-I904 WeakPolarHBondContact O-CG1 3.46Å; G900-I904 PolarHBondContact O-N 2.91Å; A901-I904 PolarHBondContact O-N 3.08Å; I904-A906 VanDerWaalsContact C-N 3.3Å; I904-A906 PolarHBondContact O-N 3.11Å; I904-V907 PolarHBondContact O-N 3.03Å; I904-A908 WeakPolarHBondContact O-CB 3.46Å; I904-A908 PolarHBondContact O-N 3.47Å
905	T	92.3	Very high	82.9	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.7	-44.4	173.7	-56.5	0	0	0	0	110.9	F528 P597 G599 V652 A901 A902 L903 V907 A908 C909	F528-T905 HydrophobicContact CD1-CG2 3.59Å; F528-T905 HydrophobicContact CE1-CG2 4.09Å; P597-T905 HydrophobicContact CB-CG2 3.65Å; G599-T905 WeakPolarHBondContact CA-OG1 3.04Å; G599-T905 PolarHBondContact N-OG1 3.08Å; V652-T905 HydrophobicContact CB-CG2 3.84Å; V652-T905 HydrophobicContact CG1-CG2 4.08Å; V652-T905 HydrophobicContact CG2-CG2 4.12Å; A901-T905 WeakPolarHBondContact O-CB 3.42Å; A901-T905 PolarHBondContact O-N 2.69Å; A901-T905 PolarHBondContact O-OG1 3.2Å; A902-T905 WeakPolarHBondContact O-CB 3.4Å; A902-T905 PolarHBondContact O-N 3.22Å; L903-T905 VanDerWaalsContact C-N 3.33Å; T905-V907 PolarHBondContact O-N 2.93Å; T905-A908 PolarHBondContact O-N 2.89Å; T905-C909 WeakPolarHBondContact O-CB 3.33Å; T905-C909 PolarHBondContact O-N 2.89Å; T905-C909 PolarHBondContact O-SG 3.28Å
906	A	90.4	Very high	81.9	Confident	4 Å²	4	35.1 Å²	35.1	3%	0.033	19%	0.192	C	C	.	.	H	α-helix	trans	-62.6	-43.6	177.2	0	0	0	0	0	112.6	E524 F528 A902 L903 I904 A908 C909 R910	E524-A906 HydrophobicContact CB-CB 3.85Å; E524-A906 HydrophobicContact CG-CB 4.01Å; F528-A906 HydrophobicContact CD2-CB 4.29Å; F528-A906 HydrophobicContact CE1-CB 3.97Å; F528-A906 HydrophobicContact CE2-CB 3.52Å; F528-A906 HydrophobicContact CZ-CB 3.34Å; A902-A906 WeakPolarHBondContact O-CB 3.36Å; A902-A906 PolarHBondContact O-N 2.96Å; L903-A906 WeakPolarHBondContact O-CB 3.29Å; L903-A906 PolarHBondContact O-N 3.44Å; I904-A906 VanDerWaalsContact C-N 3.3Å; I904-A906 PolarHBondContact O-N 3.11Å; A906-A908 VanDerWaalsContact C-N 3.35Å; A906-C909 PolarHBondContact O-N 3.4Å; A906-R910 WeakPolarHBondContact O-CB 3.42Å; A906-R910 PolarHBondContact O-N 3.49Å
907	V	87.8	Confident	80.5	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.024	25%	0.249	C	C	.	.	H	α-helix	trans	-61.6	-43.5	175	165.7	0	0	0	0	110.8	E524 M663 L903 I904 T905 R910 I911	E524-V907 HydrophobicContact CG-CG2 3.92Å; M663-V907 HydrophobicContact CE-CG2 4.16Å; L903-V907 WeakPolarHBondContact O-CG2 3.29Å; L903-V907 PolarHBondContact O-N 2.93Å; I904-V907 PolarHBondContact O-N 3.03Å; T905-V907 PolarHBondContact O-N 2.93Å; V907-R910 WeakPolarHBondContact O-CB 3.23Å; V907-R910 PolarHBondContact O-N 3.3Å; V907-I911 HydrophobicContact CG1-CD1 3.8Å; V907-I911 VanDerWaalsContact O-CG1 3.29Å; V907-I911 WeakPolarHBondContact O-CG1 3.44Å; V907-I911 PolarHBondContact O-N 3.02Å
908	A	88.6	Confident	80.6	Confident	9 Å²	9	52.3 Å²	52.3	7%	0.074	26%	0.257	C	S	.	.	H	α-helix	trans	-64.9	-45.3	178.5	0	0	0	0	0	112.3	L611 V652 I904 T905 A906 R910 I911 R912	L611-A908 HydrophobicContact CD2-CB 3.29Å; V652-A908 HydrophobicContact CG1-CB 3.71Å; I904-A908 WeakPolarHBondContact O-CB 3.46Å; I904-A908 PolarHBondContact O-N 3.47Å; T905-A908 PolarHBondContact O-N 2.89Å; A906-A908 VanDerWaalsContact C-N 3.35Å; A908-R910 VanDerWaalsContact C-N 3.33Å; A908-R910 PolarHBondContact O-N 3.49Å; A908-I911 PolarHBondContact O-N 3.34Å; A908-R912 WeakPolarHBondContact O-CG 3.21Å; A908-R912 PolarHBondContact O-N 2.98Å
909	C	87.1	Confident	80.4	Confident	24 Å²	24	55 Å²	55	16%	0.162	27%	0.271	C	S	.	.	H	α-helix	trans	-58.5	-44.8	173.9	-69.7	0	0	0	0	111.2	T905 A906 I911 R912 E913	T905-C909 WeakPolarHBondContact O-CB 3.33Å; T905-C909 PolarHBondContact O-N 2.89Å; T905-C909 PolarHBondContact O-SG 3.28Å; A906-C909 PolarHBondContact O-N 3.4Å; C909-I911 PolarHBondContact O-N 2.66Å; C909-R912 PolarHBondContact O-N 3.14Å; C909-E913 WeakPolarHBondContact O-CG 3.35Å; C909-E913 PolarHBondContact O-N 2.7Å
910	R	84.4	Confident	80	Confident	53 Å²	53	56.7 Å²	56.7	20%	0.2	28%	0.28	C	S	.	.	H	α-helix	trans	-58.8	-47	176	179.9	-166.5	69.3	-153.7	-5.3	112.1	D521 T523 E524 A906 V907 A908 R912 E913 A914	D521-R910 IonicContact OD1-CZ 3.74Å; D521-R910 IonicContact OD1-NH1 2.79Å; D521-R910 PolarHBondContact OD1-NH1 2.89Å; D521-R910 IonicContact OD2-CZ 3.87Å; D521-R910 IonicContact OD2-NH1 2.64Å; D521-R910 PolarHBondContact OD2-NH1 2.9Å; D521-R910 VanDerWaalsContact OD2-NH1 3.12Å; T523-R910 VanDerWaalsContact OG1-CD 3.29Å; T523-R910 WeakPolarHBondContact OG1-CD 3.43Å; T523-R910 PolarHBondContact OG1-NH1 3.38Å; E524-R910 IonicContact OE1-CZ 2.69Å; E524-R910 IonicContact OE1-NH1 2.84Å; E524-R910 PolarHBondContact OE1-NH1 3.44Å; A906-R910 WeakPolarHBondContact O-CB 3.42Å; A906-R910 PolarHBondContact O-N 3.49Å; V907-R910 WeakPolarHBondContact O-CB 3.23Å; V907-R910 PolarHBondContact O-N 3.3Å; A908-R910 VanDerWaalsContact C-N 3.33Å; A908-R910 PolarHBondContact O-N 3.49Å; R910-R912 VanDerWaalsContact C-N 3.35Å; R910-E913 PolarHBondContact O-N 2.96Å; R910-A914 WeakPolarHBondContact O-CB 3.48Å; R910-A914 PolarHBondContact O-N 2.94Å
911	I	80.1	Confident	79.5	Confident	46 Å²	46	60.1 Å²	60.1	24%	0.236	30%	0.297	C	S	.	.	H	α-helix	trans	-63.6	-43	-179.4	-68.8	167.7	0	0	0	110.4	V907 A908 C909 E913 A914 G915 Q916	V907-I911 HydrophobicContact CG1-CD1 3.8Å; V907-I911 VanDerWaalsContact O-CG1 3.29Å; V907-I911 WeakPolarHBondContact O-CG1 3.44Å; V907-I911 PolarHBondContact O-N 3.02Å; A908-I911 PolarHBondContact O-N 3.34Å; C909-I911 PolarHBondContact O-N 2.66Å; I911-E913 VanDerWaalsContact C-N 3.34Å; I911-E913 PolarHBondContact O-N 2.81Å; I911-A914 PolarHBondContact O-N 3.42Å; I911-G915 PolarHBondContact O-N 3.47Å; I911-Q916 HydrophobicContact CG2-CB 4.31Å; I911-Q916 WeakPolarHBondContact CG2-O 3.49Å
912	R	80.7	Confident	78.8	Confident	128 Å²	128	63.8 Å²	63.8	48%	0.483	32%	0.315	S	S	.	.	H	α-helix	trans	-58.1	-43.4	173.6	-73.6	177.7	176.8	-174.8	-1.5	111.8	D612 A908 C909 R910 G915	D612-R912 IonicContact OD2-NH2 3.43Å; A908-R912 WeakPolarHBondContact O-CG 3.21Å; A908-R912 PolarHBondContact O-N 2.98Å; C909-R912 PolarHBondContact O-N 3.14Å; R910-R912 VanDerWaalsContact C-N 3.35Å; R912-G915 PolarHBondContact O-N 3.14Å
913	E	76.3	Confident	77.9	Confident	165 Å²	165	68.1 Å²	68.1	77%	0.771	34%	0.336	S	S	*	.	H	α-helix	trans	-67.3	-31.5	177.3	-73.5	178	179.4	0	0	113.4	C909 R910 I911 G915	C909-E913 WeakPolarHBondContact O-CG 3.35Å; C909-E913 PolarHBondContact O-N 2.7Å; R910-E913 PolarHBondContact O-N 2.96Å; I911-E913 VanDerWaalsContact C-N 3.34Å; I911-E913 PolarHBondContact O-N 2.81Å; E913-G915 VanDerWaalsContact C-N 3.29Å; E913-G915 PolarHBondContact O-N 3.29Å
914	A	68.7	Low	77	Confident	65 Å²	65	72.9 Å²	72.9	54%	0.537	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-5.4	179.3	0	0	0	0	0	114.2	R910 I911 Q916	R910-A914 WeakPolarHBondContact O-CB 3.48Å; R910-A914 PolarHBondContact O-N 2.94Å; I911-A914 PolarHBondContact O-N 3.42Å; A914-Q916 VanDerWaalsContact C-N 3.27Å; A914-Q916 PolarHBondContact O-N 2.93Å
915	G	57.2	Low	75.8	Confident	64 Å²	64	78.4 Å²	78.4	66%	0.66	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	14	176.9	0	0	0	0	0	115.1	I911 R912 E913	I911-G915 PolarHBondContact O-N 3.47Å; R912-G915 PolarHBondContact O-N 3.14Å; E913-G915 VanDerWaalsContact C-N 3.29Å; E913-G915 PolarHBondContact O-N 3.29Å
916	Q	51.1	Low	74.4	Confident	139 Å²	139	84.9 Å²	84.9	65%	0.65	42%	0.419	S	S	*	.			trans	-86.9	112.2	171.2	-68.5	176.1	-18.1	0	0	107.3	I911 A914	I911-Q916 HydrophobicContact CG2-CB 4.31Å; I911-Q916 WeakPolarHBondContact CG2-O 3.49Å; A914-Q916 VanDerWaalsContact C-N 3.27Å; A914-Q916 PolarHBondContact O-N 2.93Å
917	R	40.8	Very low	73	Confident	318 Å²	318	92.3 Å²	92.3	100%	1.2	45%	0.454	S	S	*	.			trans	-85.2	0	178.1	-82.7	-172.7	178.8	-178.1	-1.3	111.2

Retrieved 917 of 917 residues in 7832.2 ms (Link to these results)

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