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E3 ubiquitin-protein ligase TRIM39

E3 ubiquitin-protein ligase¹. May facilitate apoptosis by inhibiting APC/C-Cdh1-mediated poly-ubiquitination and subsequent proteasome-mediated degradation of the pro-apoptotic protein MOAP1^2,3. Regulates the G1/S transition of the cell cycle and DNA damage-induced G2 arrest by stabilizing CDKN1A/p21⁴. Positively regulates CDKN1A/p21 stability by competing with DTL for CDKN1A/p21 binding, therefore disrupting DCX(DTL) E3 ubiquitin ligase complex-mediated CDKN1A/p21 ubiquitination and degradation⁵. Regulates the G1/S transition of the cell cycle and DNA damage-induced G2 arrest by stabilizing CDKN1A/p21⁶. Positively regulates CDKN1A/p21 stability by competing with DTL for CDKN1A/p21 binding, therefore disrupting DCX(DTL) E3 ubiquitin ligase complex-mediated CDKN1A/p21 ubiquitination and degradation⁷. Negatively regulates the canonical NF-kappa-B signaling pathway via stabilization of CACTIN in an ubiquitination-independent manner⁸.

AlphaFold DB , UniProt , Accession Q9HCM9, Species HUMAN (Homo sapiens, Human), Gene TRIM39, Length 518 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.2	Very low	42.5	Very low	215 Å²	215	107.6 Å²	107.6	100%	1.059	63%	0.634	S	S	*	*				0	-26.4	0	-65.7	-153.1	-67.5	0	0	113.5	T4	M1-T4 PolarHBondContact O-OG1 2.93Å; M1-T4 VanDerWaalsContact O-OG1 3.06Å
2	A	40.1	Very low	43.6	Very low	71 Å²	71	104.5 Å²	104.5	59%	0.587	62%	0.622	S	S	*	*	H	α-helix	trans	-70.8	-45.6	-179.6	0	0	0	0	0	113.9	T4 S5	A2-T4 PolarHBondContact O-N 3.29Å; A2-S5 WeakPolarHBondContact O-CB 3.48Å; A2-S5 PolarHBondContact O-N 2.62Å; A2-S5 VanDerWaalsContact O-N 3.1Å; A2-S5 PolarHBondContact O-OG 3.32Å
3	E	35.9	Very low	44.8	Very low	167 Å²	167	101.2 Å²	101.2	78%	0.78	61%	0.613	S	S	*	*	H	α-helix	trans	-64.5	-34.6	-176.4	-72.8	179.6	156.6	0	0	114.1	S5	E3-S5 PolarHBondContact O-N 3.15Å
4	T	39.2	Very low	45.8	Very low	90 Å²	90	98.6 Å²	98.6	55%	0.552	61%	0.607	S	S	*	*	H	α-helix	trans	-65.3	-27.5	175.7	41.8	0	0	0	0	112.6	M1 A2 E8	M1-T4 PolarHBondContact O-OG1 2.93Å; M1-T4 VanDerWaalsContact O-OG1 3.06Å; A2-T4 PolarHBondContact O-N 3.29Å; T4-E8 WeakPolarHBondContact O-CG 3.17Å; T4-E8 PolarHBondContact O-N 2.95Å
5	S	46.4	Very low	47.5	Very low	67 Å²	67	97.5 Å²	97.5	47%	0.469	61%	0.606	S	S	.	*	H	α-helix	trans	-74.4	-31	-176.5	74.7	0	0	0	0	113.8	A2 E3 A9	A2-S5 WeakPolarHBondContact O-CB 3.48Å; A2-S5 PolarHBondContact O-N 2.62Å; A2-S5 VanDerWaalsContact O-N 3.1Å; A2-S5 PolarHBondContact O-OG 3.32Å; E3-S5 PolarHBondContact O-N 3.15Å; S5-A9 VanDerWaalsContact O-CB 3.3Å; S5-A9 WeakPolarHBondContact O-CB 3.48Å; S5-A9 PolarHBondContact O-N 2.95Å
6	L	40.3	Very low	49	Very low	123 Å²	123	96.1 Å²	96.1	64%	0.644	60%	0.596	S	S	*	*	H	α-helix	trans	-72.4	-41.9	-179.7	-82	157.1	0	0	0	111.9	A9 G10	L6-A9 PolarHBondContact O-N 2.94Å; L6-G10 PolarHBondContact O-N 2.95Å
7	L	41.1	Very low	50.4	Low	140 Å²	140	92.4 Å²	92.4	73%	0.733	58%	0.577	S	S	*	*	H	α-helix	trans	-65.5	-42.2	176.7	-88.5	153	0	0	0	112	G10 A11	L7-G10 PolarHBondContact O-N 2.87Å; L7-A11 PolarHBondContact O-N 3.36Å
8	E	43.3	Very low	52.1	Low	143 Å²	143	89.9 Å²	89.9	67%	0.668	57%	0.567	S	S	*	*	H	α-helix	trans	-65	-39	174.9	-74.6	-178.6	170.5	0	0	112	T4 S12	T4-E8 WeakPolarHBondContact O-CG 3.17Å; T4-E8 PolarHBondContact O-N 2.95Å; E8-S12 VanDerWaalsContact O-CB 3.22Å; E8-S12 WeakPolarHBondContact O-CB 3.18Å; E8-S12 PolarHBondContact O-N 3.09Å
9	A	49.1	Very low	53.7	Low	58 Å²	58	88.3 Å²	88.3	48%	0.479	56%	0.563	S	S	.	*	H	α-helix	trans	-63.4	-43.4	175.3	0	0	0	0	0	112.3	S5 L6 S12 A13	S5-A9 VanDerWaalsContact O-CB 3.3Å; S5-A9 WeakPolarHBondContact O-CB 3.48Å; S5-A9 PolarHBondContact O-N 2.95Å; L6-A9 PolarHBondContact O-N 2.94Å; A9-S12 PolarHBondContact O-N 3.25Å; A9-A13 PolarHBondContact O-N 3.4Å
10	G	47.3	Very low	55	Low	45 Å²	45	85.9 Å²	85.9	46%	0.464	55%	0.545	S	S	.	.	H	α-helix	trans	-64.3	-43.8	177.6	0	0	0	0	0	113.1	L6 L7 A13 A14	L6-G10 PolarHBondContact O-N 2.95Å; L7-G10 PolarHBondContact O-N 2.87Å; G10-A13 PolarHBondContact O-N 3.5Å; G10-A14 PolarHBondContact O-N 3.45Å
11	A	47.1	Very low	56.3	Low	65 Å²	65	87 Å²	87	54%	0.537	54%	0.544	S	S	.	.	H	α-helix	trans	-65	-40.4	176	0	0	0	0	0	112.2	L7 S15	L7-A11 PolarHBondContact O-N 3.36Å; A11-S15 WeakPolarHBondContact O-CB 3.48Å; A11-S15 PolarHBondContact O-N 3.34Å
12	S	55.6	Low	58.7	Low	70 Å²	70	82 Å²	82	49%	0.49	52%	0.521	S	S	.	.	H	α-helix	trans	-60.4	-46.2	175.4	171.7	0	0	0	0	112.2	E8 A9 S15 T16	E8-S12 VanDerWaalsContact O-CB 3.22Å; E8-S12 WeakPolarHBondContact O-CB 3.18Å; E8-S12 PolarHBondContact O-N 3.09Å; A9-S12 PolarHBondContact O-N 3.25Å; S12-S15 PolarHBondContact O-N 3.17Å; S12-T16 WeakPolarHBondContact O-CB 3.08Å; S12-T16 PolarHBondContact O-N 3.13Å; S12-T16 PolarHBondContact O-OG1 3.14Å
13	A	59.6	Low	60.9	Low	61 Å²	61	81.5 Å²	81.5	50%	0.504	51%	0.508	S	S	.	.	H	α-helix	trans	-63.4	-45	179.9	0	0	0	0	0	112.2	A9 G10 T16 A17	A9-A13 PolarHBondContact O-N 3.4Å; G10-A13 PolarHBondContact O-N 3.5Å; A13-T16 PolarHBondContact O-N 2.8Å; A13-A17 PolarHBondContact O-N 2.93Å
14	A	59.5	Low	63.4	Low	65 Å²	65	77 Å²	77	54%	0.537	49%	0.487	S	S	.	.	H	α-helix	trans	-63.7	-43.8	177.9	0	0	0	0	0	112.3	G10 T16 A17 A18	G10-A14 PolarHBondContact O-N 3.45Å; A14-T16 VanDerWaalsContact C-N 3.31Å; A14-T16 PolarHBondContact O-N 2.7Å; A14-A17 PolarHBondContact O-N 3.45Å; A14-A18 PolarHBondContact O-N 2.87Å; A14-A18 VanDerWaalsContact O-N 3.16Å
15	S	70	Confident	65.7	Low	83 Å²	83	77.5 Å²	77.5	58%	0.58	49%	0.49	S	S	*	.	H	α-helix	trans	-60.3	-41.9	175.3	-178.3	0	0	0	0	111.9	A11 S12 A18 A19	A11-S15 WeakPolarHBondContact O-CB 3.48Å; A11-S15 PolarHBondContact O-N 3.34Å; S12-S15 PolarHBondContact O-N 3.17Å; S15-A18 PolarHBondContact O-N 3.18Å; S15-A19 PolarHBondContact O-N 3.03Å; S15-A19 VanDerWaalsContact O-N 3.15Å
16	T	72.4	Confident	67.8	Low	75 Å²	75	81.3 Å²	81.3	46%	0.46	50%	0.501	S	S	.	.	H	α-helix	trans	-66.2	-40.1	179.4	-51.7	0	0	0	0	111	S12 A13 A14 A19 L20	S12-T16 WeakPolarHBondContact O-CB 3.08Å; S12-T16 PolarHBondContact O-N 3.13Å; S12-T16 PolarHBondContact O-OG1 3.14Å; A13-T16 PolarHBondContact O-N 2.8Å; A14-T16 VanDerWaalsContact C-N 3.31Å; A14-T16 PolarHBondContact O-N 2.7Å; T16-A19 PolarHBondContact O-N 3.25Å; T16-L20 HydrophobicContact CG2-CD1 4.14Å; T16-L20 WeakPolarHBondContact O-CD1 3.5Å; T16-L20 PolarHBondContact O-N 3.36Å; T16-L20 VanDerWaalsContact O-N 3.14Å
17	A	73.4	Confident	70.3	Confident	33 Å²	33	75.6 Å²	75.6	27%	0.273	47%	0.471	S	S	.	.	H	α-helix	trans	-62.9	-43.4	178	0	0	0	0	0	113	A13 A14 L20 E21	A13-A17 PolarHBondContact O-N 2.93Å; A14-A17 PolarHBondContact O-N 3.45Å; A17-L20 WeakPolarHBondContact O-CB 3.3Å; A17-L20 PolarHBondContact O-N 3.31Å; A17-E21 PolarHBondContact O-N 3.29Å
18	A	79.8	Confident	72.8	Confident	48 Å²	48	70.3 Å²	70.3	40%	0.397	45%	0.446	S	S	.	.	H	α-helix	trans	-66.3	-40	177.5	0	0	0	0	0	112.4	A14 S15 L20 E21 N22	A14-A18 PolarHBondContact O-N 2.87Å; A14-A18 VanDerWaalsContact O-N 3.16Å; S15-A18 PolarHBondContact O-N 3.18Å; A18-L20 VanDerWaalsContact C-N 3.3Å; A18-L20 PolarHBondContact O-N 3.39Å; A18-E21 PolarHBondContact O-N 2.96Å; A18-N22 PolarHBondContact O-N 3Å; A18-N22 PolarHBondContact O-ND2 2.88Å
19	A	82.9	Confident	75.4	Confident	58 Å²	58	63.5 Å²	63.5	48%	0.479	41%	0.414	S	S	.	.	H	α-helix	trans	-61.3	-38.8	175.7	0	0	0	0	0	112.2	S15 T16 L23	S15-A19 PolarHBondContact O-N 3.03Å; S15-A19 VanDerWaalsContact O-N 3.15Å; T16-A19 PolarHBondContact O-N 3.25Å; A19-L23 WeakPolarHBondContact O-CB 3.09Å; A19-L23 PolarHBondContact O-N 3.28Å
20	L	80.1	Confident	77.5	Confident	40 Å²	40	63.7 Å²	63.7	21%	0.209	41%	0.412	C	S	.	.	H	α-helix	trans	-65.2	-38.9	175.5	-88	149.2	0	0	0	113	T16 A17 A18 L23 Q24 L94 K98	T16-L20 HydrophobicContact CG2-CD1 4.14Å; T16-L20 WeakPolarHBondContact O-CD1 3.5Å; T16-L20 PolarHBondContact O-N 3.36Å; T16-L20 VanDerWaalsContact O-N 3.14Å; A17-L20 WeakPolarHBondContact O-CB 3.3Å; A17-L20 PolarHBondContact O-N 3.31Å; A18-L20 VanDerWaalsContact C-N 3.3Å; A18-L20 PolarHBondContact O-N 3.39Å; L20-L23 PolarHBondContact O-N 3.18Å; L20-Q24 PolarHBondContact O-N 3.06Å; L20-L94 HydrophobicContact CD2-CB 3.75Å; L20-K98 HydrophobicContact CD1-CD 4.28Å
21	E	82.7	Confident	79.7	Confident	111 Å²	111	63.7 Å²	63.7	52%	0.519	40%	0.403	S	S	.	.	H	α-helix	trans	-67.8	-43.6	177.1	-76	172.4	-167.1	0	0	111.7	A17 A18 L23 Q24 V25 K98	A17-E21 PolarHBondContact O-N 3.29Å; A18-E21 PolarHBondContact O-N 2.96Å; E21-L23 VanDerWaalsContact C-N 3.3Å; E21-L23 PolarHBondContact O-N 2.64Å; E21-Q24 WeakPolarHBondContact O-CB 3.41Å; E21-Q24 PolarHBondContact O-N 3.03Å; E21-Q24 VanDerWaalsContact O-N 3.15Å; E21-V25 PolarHBondContact O-N 3.32Å; E21-V25 VanDerWaalsContact O-N 3.13Å; E21-K98 IonicContact OE1-NZ 3.35Å
22	N	86.8	Confident	82.1	Confident	110 Å²	110	63.1 Å²	63.1	59%	0.588	39%	0.394	S	S	*	.	H	α-helix	trans	-60.3	-41.7	173.9	-70.3	-23.1	0	0	0	111.5	A18 Q24 V25 E26	A18-N22 PolarHBondContact O-N 3Å; A18-N22 PolarHBondContact O-ND2 2.88Å; N22-Q24 VanDerWaalsContact C-N 3.31Å; N22-Q24 PolarHBondContact O-N 2.97Å; N22-V25 PolarHBondContact O-N 3.12Å; N22-E26 WeakPolarHBondContact O-CG 3.28Å; N22-E26 PolarHBondContact O-N 3.1Å; N22-E26 VanDerWaalsContact O-N 3.08Å
23	L	86.7	Confident	83.8	Confident	60 Å²	60	66.2 Å²	66.2	31%	0.314	41%	0.405	S	S	.	.	H	α-helix	trans	-62.1	-38.8	176.1	-176.6	65.2	0	0	0	112	A19 L20 E21 V25 E26 A27 A91 L94	A19-L23 WeakPolarHBondContact O-CB 3.09Å; A19-L23 PolarHBondContact O-N 3.28Å; L20-L23 PolarHBondContact O-N 3.18Å; E21-L23 VanDerWaalsContact C-N 3.3Å; E21-L23 PolarHBondContact O-N 2.64Å; L23-V25 VanDerWaalsContact C-N 3.34Å; L23-E26 PolarHBondContact O-N 3Å; L23-A27 WeakPolarHBondContact O-CB 3.26Å; L23-A27 PolarHBondContact O-N 3.19Å; L23-A91 HydrophobicContact CD2-CB 3.82Å; L23-A91 HydrophobicContact CG-CB 3.84Å; L23-L94 HydrophobicContact CD2-CD1 3.97Å
24	Q	87.4	Confident	85.5	Confident	71 Å²	71	69.3 Å²	69.3	33%	0.332	41%	0.408	S	S	.	.	H	α-helix	trans	-63.1	-41	176.9	-175.5	177.6	-0.4	0	0	111.6	L20 E21 N22 A27 S28	L20-Q24 PolarHBondContact O-N 3.06Å; E21-Q24 WeakPolarHBondContact O-CB 3.41Å; E21-Q24 PolarHBondContact O-N 3.03Å; E21-Q24 VanDerWaalsContact O-N 3.15Å; N22-Q24 VanDerWaalsContact C-N 3.31Å; N22-Q24 PolarHBondContact O-N 2.97Å; Q24-A27 PolarHBondContact O-N 3.1Å; Q24-S28 WeakPolarHBondContact O-CB 3.24Å; Q24-S28 PolarHBondContact O-N 3.41Å; Q24-S28 VanDerWaalsContact O-N 3.17Å; Q24-S28 PolarHBondContact O-OG 3.49Å
25	V	88.4	Confident	87.1	Confident	102 Å²	102	67.8 Å²	67.8	62%	0.618	39%	0.389	S	S	*	.	H	α-helix	trans	-63.4	-48.7	177.4	175	0	0	0	0	110.7	E21 N22 L23 A27 S28	E21-V25 PolarHBondContact O-N 3.32Å; E21-V25 VanDerWaalsContact O-N 3.13Å; N22-V25 PolarHBondContact O-N 3.12Å; L23-V25 VanDerWaalsContact C-N 3.34Å; V25-A27 VanDerWaalsContact C-N 3.26Å; V25-A27 PolarHBondContact O-N 2.97Å; V25-S28 PolarHBondContact O-N 3.41Å; V25-S28 VanDerWaalsContact O-N 3.11Å
26	E	89.5	Confident	88.4	Confident	147 Å²	147	64 Å²	64	69%	0.687	36%	0.362	S	S	*	.	H	α-helix	trans	-65.5	-28.5	179.6	-68.1	-60.4	150.7	0	0	113.1	N22 L23 S28	N22-E26 WeakPolarHBondContact O-CG 3.28Å; N22-E26 PolarHBondContact O-N 3.1Å; N22-E26 VanDerWaalsContact O-N 3.08Å; L23-E26 PolarHBondContact O-N 3Å; E26-S28 VanDerWaalsContact C-N 3.34Å
27	A	93	Very high	89.5	Confident	3 Å²	3	67.4 Å²	67.4	3%	0.025	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-2.8	176.6	0	0	0	0	0	113.8	L23 Q24 V25 Y35 L36 V88 A91	L23-A27 WeakPolarHBondContact O-CB 3.26Å; L23-A27 PolarHBondContact O-N 3.19Å; Q24-A27 PolarHBondContact O-N 3.1Å; V25-A27 VanDerWaalsContact C-N 3.26Å; V25-A27 PolarHBondContact O-N 2.97Å; A27-Y35 HydrophobicContact CB-CD1 3.77Å; A27-Y35 HydrophobicContact CB-CE1 3.61Å; A27-L36 WeakPolarHBondContact O-CG 3.5Å; A27-L36 PolarHBondContact O-N 3.45Å; A27-V88 HydrophobicContact CB-CB 4.49Å; A27-V88 HydrophobicContact CB-CG2 3.88Å; A27-A91 HydrophobicContact CB-CB 4.04Å
28	S	94.7	Very high	90.5	Very high	28 Å²	28	72.1 Å²	72.1	20%	0.196	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-102.6	147.5	-177	-63.8	0	0	0	0	112.7	Q24 V25 E26 E34	Q24-S28 WeakPolarHBondContact O-CB 3.24Å; Q24-S28 PolarHBondContact O-N 3.41Å; Q24-S28 VanDerWaalsContact O-N 3.17Å; Q24-S28 PolarHBondContact O-OG 3.49Å; V25-S28 PolarHBondContact O-N 3.41Å; V25-S28 VanDerWaalsContact O-N 3.11Å; E26-S28 VanDerWaalsContact C-N 3.34Å; S28-E34 CarbonylContact C-O 3.57Å; S28-E34 WeakPolarHBondContact CA-O 3.35Å
29	C	96.7	Very high	91.4	Very high	1 Å²	1	70.3 Å²	70.3	1%	0.007	37%	0.371	C	S	.	.			trans	-80.4	124.2	176.1	-175.3	0	0	0	0	110.2	V31 C32 L33 E34 L36 C49	C29-V31 PolarHBondContact O-N 3.5Å; C29-C32 PolarHBondContact O-N 2.96Å; C29-L33 WeakPolarHBondContact O-CA 3.23Å; C29-L33 PolarHBondContact O-N 2.94Å; C29-E34 PolarHBondContact N-O 2.88Å; C29-L36 HydrophobicContact CB-CD2 3.68Å; C29-L36 HydrophobicContact CB-CG 4.33Å; C29-C49 WeakPolarHBondContact CB-SG 3.47Å; C29-C49 PolarHBondContact SG-N 3.15Å; C29-C49 VanDerWaalsContact SG-N 3.41Å
30	S	93.5	Very high	92	Very high	62 Å²	62	67.7 Å²	67.7	43%	0.434	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-3.9	178.3	75.3	0	0	0	0	114.9	F48 V68	S30-F48 VanDerWaalsContact OG-CE1 3.28Å; S30-F48 WeakPolarHBondContact OG-CE1 3.18Å; S30-V68 VanDerWaalsContact OG-CG2 3.26Å; S30-V68 WeakPolarHBondContact OG-CG2 3.45Å
31	V	94.3	Very high	92.7	Very high	45 Å²	45	68.5 Å²	68.5	27%	0.273	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-48.7	179.3	178	0	0	0	0	111.5	C29 F48 C52 P67	C29-V31 PolarHBondContact O-N 3.5Å; V31-F48 HydrophobicContact CG2-CD1 3.77Å; V31-F48 HydrophobicContact CG2-CE1 4.09Å; V31-C52 HydrophobicContact CB-CB 3.95Å; V31-C52 HydrophobicContact CG1-CB 3.91Å; V31-P67 HydrophobicContact CG2-CB 4.11Å; V31-P67 HydrophobicContact CG2-CG 4.07Å
32	C	96.1	Very high	93.2	Very high	52 Å²	52	63.8 Å²	63.8	35%	0.351	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-8.2	178.8	68.4	0	0	0	0	114.1	C29 E34	C29-C32 PolarHBondContact O-N 2.96Å; C32-E34 PolarHBondContact O-N 3.33Å; C32-E34 VanDerWaalsContact O-N 3.13Å
33	L	92.9	Very high	93.4	Very high	136 Å²	136	64 Å²	64	71%	0.712	33%	0.329	S	S	*	.			trans	61.1	13.2	-178.8	-49.7	-178.8	0	0	0	115.2	C29	C29-L33 WeakPolarHBondContact O-CA 3.23Å; C29-L33 PolarHBondContact O-N 2.94Å
34	E	94.2	Very high	93.7	Very high	125 Å²	125	63 Å²	63	58%	0.584	33%	0.327	S	S	*	.	S	Bend	trans	-103.6	164.5	174.8	-64.9	-62.6	152.5	0	0	110.6	S28 C29 C32 L36	S28-E34 CarbonylContact C-O 3.57Å; S28-E34 WeakPolarHBondContact CA-O 3.35Å; C29-E34 PolarHBondContact N-O 2.88Å; C32-E34 PolarHBondContact O-N 3.33Å; C32-E34 VanDerWaalsContact O-N 3.13Å; E34-L36 PolarHBondContact O-N 3.08Å
35	Y	94.4	Very high	93.9	Very high	34 Å²	34	61.4 Å²	61.4	13%	0.133	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-49.8	135.3	170.7	-84.9	-67.1	0	0	0	112.2	A27 K37 V88 A91 K92 Q95	A27-Y35 HydrophobicContact CB-CD1 3.77Å; A27-Y35 HydrophobicContact CB-CE1 3.61Å; Y35-K37 PolarHBondContact O-N 3.11Å; Y35-V88 HydrophobicContact CD1-CG1 3.78Å; Y35-V88 HydrophobicContact CG-CG1 4.27Å; Y35-A91 HydrophobicContact CE1-CB 3.91Å; Y35-K92 HydrophobicContact CD1-CG 4.25Å; Y35-K92 HydrophobicContact CD2-CG 3.84Å; Y35-K92 HydrophobicContact CE1-CG 4.24Å; Y35-K92 HydrophobicContact CE2-CG 3.87Å; Y35-K92 HydrophobicContact CG-CG 4.03Å; Y35-Q95 PolarHBondContact OH-OE1 3.41Å
36	L	96.6	Very high	94.2	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.021	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-56.9	119.5	-177.2	-74.8	160.7	0	0	0	111.8	A27 C29 E34 P39 N47 L84 V88	A27-L36 WeakPolarHBondContact O-CG 3.5Å; A27-L36 PolarHBondContact O-N 3.45Å; C29-L36 HydrophobicContact CB-CD2 3.68Å; C29-L36 HydrophobicContact CB-CG 4.33Å; E34-L36 PolarHBondContact O-N 3.08Å; L36-P39 HydrophobicContact CB-CB 4.02Å; L36-P39 HydrophobicContact CB-CG 4.39Å; L36-P39 HydrophobicContact CD1-CB 4.24Å; L36-P39 HydrophobicContact CD2-CB 4.41Å; L36-P39 HydrophobicContact CG-CB 4.47Å; L36-N47 HydrophobicContact CD1-CB 4.37Å; L36-L84 HydrophobicContact CD1-CD2 3.73Å; L36-L84 HydrophobicContact CD1-CG 4.1Å; L36-V88 HydrophobicContact CB-CG2 3.93Å; L36-V88 HydrophobicContact CD1-CG2 4.27Å
37	K	95.4	Very high	94.5	Very high	145 Å²	145	54.8 Å²	54.8	63%	0.63	29%	0.293	S	S	*	.	S	Bend	trans	-102.8	121.7	171.8	-65	179.1	-174.7	174.8	0	109.1	Y35 C49 K50	Y35-K37 PolarHBondContact O-N 3.11Å; K37-C49 PolarHBondContact N-SG 3.25Å; K37-C49 VanDerWaalsContact O-CA 3.25Å; K37-C49 WeakPolarHBondContact O-CA 3.46Å; K37-C49 WeakPolarHBondContact O-CB 3.4Å; K37-K50 PolarHBondContact O-N 3.5Å
38	E	95.2	Very high	94.7	Very high	132 Å²	132	54.7 Å²	54.7	62%	0.617	29%	0.292	S	S	*	.	S	Bend	trans	48.3	64	-171.3	-61.9	179.7	88.1	0	0	111.6	V40 K50	E38-V40 PolarHBondContact O-N 3.17Å; E38-K50 HydrophobicContact CB-CB 3.96Å; E38-K50 WeakPolarHBondContact O-CB 3.39Å; E38-K50 PolarHBondContact O-N 3.16Å
39	P	96.9	Very high	94.8	Very high	10 Å²	10	53.6 Å²	53.6	7%	0.065	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	132.1	-176.9	18.3	-27.8	0	0	0	111.5	L36 F48 N81 L84	L36-P39 HydrophobicContact CB-CB 4.02Å; L36-P39 HydrophobicContact CB-CG 4.39Å; L36-P39 HydrophobicContact CD1-CB 4.24Å; L36-P39 HydrophobicContact CD2-CB 4.41Å; L36-P39 HydrophobicContact CG-CB 4.47Å; P39-F48 CarbonylContact C-O 3.54Å; P39-F48 WeakPolarHBondContact CA-O 3.42Å; P39-N81 WeakPolarHBondContact CG-O 3.46Å; P39-N81 PolarHBondContact O-N 3.37Å; P39-L84 HydrophobicContact CB-CB 4.46Å; P39-L84 HydrophobicContact CB-CD2 4.04Å; P39-L84 HydrophobicContact CB-CG 4.22Å; P39-L84 HydrophobicContact CG-CB 4.36Å; P39-L84 HydrophobicContact CG-CG 4.4Å
40	V	96	Very high	94.8	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.024	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.9	171.8	-65.9	0	0	0	0	109.8	E38 N47 F48 K50 I53 L78 R79	E38-V40 PolarHBondContact O-N 3.17Å; V40-N47 VanDerWaalsContact O-CA 3.29Å; V40-N47 WeakPolarHBondContact O-CA 3.47Å; V40-F48 WeakPolarHBondContact CG2-O 3.29Å; V40-F48 PolarHBondContact N-O 3.26Å; V40-F48 PolarHBondContact O-N 3.42Å; V40-K50 HydrophobicContact CG1-CB 3.94Å; V40-K50 HydrophobicContact CG1-CG 4.17Å; V40-K50 HydrophobicContact CG2-CB 4.48Å; V40-I53 HydrophobicContact CG2-CG2 3.56Å; V40-L78 HydrophobicContact CB-CB 4.3Å; V40-L78 HydrophobicContact CG1-CB 4.39Å; V40-L78 HydrophobicContact CG2-CB 4.44Å; V40-L78 HydrophobicContact CG2-CD2 4.1Å; V40-R79 CarbonylContact C-O 3.48Å; V40-R79 VanDerWaalsContact CA-O 3.24Å; V40-R79 WeakPolarHBondContact CA-O 3.42Å
41	I	95.2	Very high	95	Very high	57 Å²	57	58.7 Å²	58.7	29%	0.292	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	136.7	173	-166.5	167.6	0	0	0	109.6	N47 R79	I41-N47 WeakPolarHBondContact CB-OD1 3.37Å; I41-R79 HydrophobicContact CG2-CB 3.89Å; I41-R79 PolarHBondContact N-O 3.19Å; I41-R79 PolarHBondContact O-N 3.42Å
42	I	94	Very high	95.1	Very high	12 Å²	12	57.3 Å²	57.3	6%	0.062	30%	0.304	C	S	.	.			trans	-104.1	172.3	174.7	69	171	0	0	0	111.1	C44 G45 H46 F48 I53 W57 C66 L78	I42-C44 VanDerWaalsContact C-N 3.25Å; I42-C44 VanDerWaalsContact CD1-SG 3.59Å; I42-C44 PolarHBondContact O-N 3.41Å; I42-C44 VanDerWaalsContact O-N 3.09Å; I42-G45 PolarHBondContact O-N 2.78Å; I42-H46 PolarHBondContact N-O 2.64Å; I42-F48 HydrophobicContact CD1-CD2 4.44Å; I42-F48 HydrophobicContact CD1-CE2 3.67Å; I42-F48 HydrophobicContact CG1-CE2 4.07Å; I42-F48 HydrophobicContact CG2-CD2 4.31Å; I42-I53 HydrophobicContact CG2-CG1 4.28Å; I42-W57 HydrophobicContact CB-CH2 4.16Å; I42-W57 HydrophobicContact CD1-CZ2 4.24Å; I42-W57 HydrophobicContact CG2-CH2 3.65Å; I42-W57 HydrophobicContact CG2-CZ2 4.2Å; I42-W57 HydrophobicContact CG2-CZ3 4.46Å; I42-C66 HydrophobicContact CD1-CB 3.65Å; I42-L78 HydrophobicContact CG2-CD2 3.68Å
43	E	90.8	Very high	95	Very high	115 Å²	115	54.8 Å²	54.8	54%	0.537	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-33.7	-173.6	-72.7	-174.9	170.4	0	0	115.2	G45 S73	E43-G45 PolarHBondContact O-N 2.81Å; E43-S73 PolarHBondContact OE1-OG 3.13Å; E43-S73 WeakPolarHBondContact OE2-CA 3.33Å; E43-S73 WeakPolarHBondContact OE2-CB 3.47Å; E43-S73 PolarHBondContact OE2-OG 3.5Å
44	C	92.6	Very high	95.1	Very high	38 Å²	38	51.3 Å²	51.3	26%	0.257	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-2.5	178.4	73.5	0	0	0	0	114.1	I42 H46 C66 C69 K71	I42-C44 VanDerWaalsContact C-N 3.25Å; I42-C44 VanDerWaalsContact CD1-SG 3.59Å; I42-C44 PolarHBondContact O-N 3.41Å; I42-C44 VanDerWaalsContact O-N 3.09Å; C44-H46 PolarHBondContact SG-ND1 3.02Å; C44-C66 PolarHBondContact SG-SG 3.4Å; C44-C69 VanDerWaalsContact SG-SG 3.61Å; C44-K71 HydrophobicContact CB-CB 4.2Å; C44-K71 HydrophobicContact CB-CD 4.09Å
45	G	92.3	Very high	95.1	Very high	38 Å²	38	53.6 Å²	53.6	39%	0.392	28%	0.275	S	S	.	.	S	Bend	trans	92	-7.3	179	0	0	0	0	0	116.1	I42 E43 N47	I42-G45 PolarHBondContact O-N 2.78Å; E43-G45 PolarHBondContact O-N 2.81Å; G45-N47 PolarHBondContact O-ND2 3.43Å
46	H	94.6	Very high	94.9	Very high	65 Å²	65	58.6 Å²	58.6	30%	0.301	29%	0.294	S	S	.	.			trans	-74.3	147.9	177.2	-68.5	109.3	0	0	0	111.4	I42 C44 F48 C66	I42-H46 PolarHBondContact N-O 2.64Å; C44-H46 PolarHBondContact SG-ND1 3.02Å; H46-F48 HydrophobicContact CB-CE2 3.61Å; H46-F48 HydrophobicContact CB-CZ 3.72Å; H46-C66 PolarHBondContact ND1-SG 2.92Å; H46-C66 VanDerWaalsContact ND1-SG 3.4Å
47	N	95.5	Very high	94.7	Very high	45 Å²	45	58.6 Å²	58.6	24%	0.241	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139.8	-176.3	-61	-88.1	0	0	0	111.2	L36 V40 I41 G45 N81 L84	L36-N47 HydrophobicContact CD1-CB 4.37Å; V40-N47 VanDerWaalsContact O-CA 3.29Å; V40-N47 WeakPolarHBondContact O-CA 3.47Å; I41-N47 WeakPolarHBondContact CB-OD1 3.37Å; G45-N47 PolarHBondContact O-ND2 3.43Å; N47-N81 PolarHBondContact OD1-ND2 3.41Å; N47-N81 VanDerWaalsContact OD1-ND2 3.1Å; N47-L84 HydrophobicContact CB-CD2 3.4Å; N47-L84 WeakPolarHBondContact OD1-CD2 3.33Å
48	F	96.4	Very high	94.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	160.9	-179	-55.5	-84.4	0	0	0	110.9	S30 V31 P39 V40 I42 H46 K50 I53 P67 V68	S30-F48 VanDerWaalsContact OG-CE1 3.28Å; S30-F48 WeakPolarHBondContact OG-CE1 3.18Å; V31-F48 HydrophobicContact CG2-CD1 3.77Å; V31-F48 HydrophobicContact CG2-CE1 4.09Å; P39-F48 CarbonylContact C-O 3.54Å; P39-F48 WeakPolarHBondContact CA-O 3.42Å; V40-F48 WeakPolarHBondContact CG2-O 3.29Å; V40-F48 PolarHBondContact N-O 3.26Å; V40-F48 PolarHBondContact O-N 3.42Å; I42-F48 HydrophobicContact CD1-CD2 4.44Å; I42-F48 HydrophobicContact CD1-CE2 3.67Å; I42-F48 HydrophobicContact CG1-CE2 4.07Å; I42-F48 HydrophobicContact CG2-CD2 4.31Å; H46-F48 HydrophobicContact CB-CE2 3.61Å; H46-F48 HydrophobicContact CB-CZ 3.72Å; F48-K50 PolarHBondContact O-N 3.06Å; F48-I53 HydrophobicContact CB-CB 3.86Å; F48-I53 HydrophobicContact CB-CG2 4.3Å; F48-I53 HydrophobicContact CD2-CB 4.39Å; F48-I53 HydrophobicContact CD2-CD1 4.01Å; F48-I53 HydrophobicContact CD2-CG1 4.21Å; F48-I53 HydrophobicContact CE2-CD1 4.29Å; F48-I53 HydrophobicContact CG-CB 4.23Å; F48-I53 HydrophobicContact CG-CD1 4.25Å; F48-I53 HydrophobicContact CG-CG1 4.48Å; F48-P67 HydrophobicContact CD1-CG 4.44Å; F48-P67 HydrophobicContact CE1-CB 3.97Å; F48-P67 HydrophobicContact CE1-CG 3.82Å; F48-P67 HydrophobicContact CZ-CB 4.28Å; F48-P67 HydrophobicContact CZ-CG 4.01Å; F48-V68 HydrophobicContact CE1-CG2 3.91Å; F48-V68 HydrophobicContact CZ-CG2 3.87Å
49	C	97.8	Very high	94.2	Very high	5 Å²	5	58.6 Å²	58.6	3%	0.034	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	134.4	164.4	-59.1	0	0	0	0	108.6	C29 K37 A51 C52 I53	C29-C49 WeakPolarHBondContact CB-SG 3.47Å; C29-C49 PolarHBondContact SG-N 3.15Å; C29-C49 VanDerWaalsContact SG-N 3.41Å; K37-C49 PolarHBondContact N-SG 3.25Å; K37-C49 VanDerWaalsContact O-CA 3.25Å; K37-C49 WeakPolarHBondContact O-CA 3.46Å; K37-C49 WeakPolarHBondContact O-CB 3.4Å; C49-A51 PolarHBondContact O-N 3.13Å; C49-C52 HydrophobicContact CB-CB 3.92Å; C49-C52 PolarHBondContact O-N 3.15Å; C49-I53 PolarHBondContact O-N 3.42Å; C49-I53 VanDerWaalsContact O-N 3.1Å
50	K	96.5	Very high	93.8	Very high	97 Å²	97	60.9 Å²	60.9	42%	0.422	31%	0.312	S	S	.	.	H	α-helix	trans	-48.8	-46.7	177.3	-176.9	-178.4	175.2	-169.7	0	112.1	K37 E38 V40 F48 T54	K37-K50 PolarHBondContact O-N 3.5Å; E38-K50 HydrophobicContact CB-CB 3.96Å; E38-K50 WeakPolarHBondContact O-CB 3.39Å; E38-K50 PolarHBondContact O-N 3.16Å; V40-K50 HydrophobicContact CG1-CB 3.94Å; V40-K50 HydrophobicContact CG1-CG 4.17Å; V40-K50 HydrophobicContact CG2-CB 4.48Å; F48-K50 PolarHBondContact O-N 3.06Å; K50-T54 VanDerWaalsContact O-CB 3.23Å; K50-T54 WeakPolarHBondContact O-CB 3.46Å; K50-T54 PolarHBondContact O-N 3.03Å; K50-T54 PolarHBondContact O-OG1 2.81Å
51	A	96.8	Very high	93.2	Very high	73 Å²	73	69.8 Å²	69.8	60%	0.603	35%	0.353	S	S	*	.	H	α-helix	trans	-63.5	-42	178	0	0	0	0	0	112.9	C49 T54 R55	C49-A51 PolarHBondContact O-N 3.13Å; A51-T54 PolarHBondContact O-N 3.49Å; A51-R55 WeakPolarHBondContact O-CB 3.37Å; A51-R55 PolarHBondContact O-N 3.13Å
52	C	97.3	Very high	92.8	Very high	16 Å²	16	76.5 Å²	76.5	11%	0.108	38%	0.375	C	S	.	.	H	α-helix	trans	-65	-47.3	-177.5	-68.9	0	0	0	0	112.3	V31 C49 W56	V31-C52 HydrophobicContact CB-CB 3.95Å; V31-C52 HydrophobicContact CG1-CB 3.91Å; C49-C52 HydrophobicContact CB-CB 3.92Å; C49-C52 PolarHBondContact O-N 3.15Å; C52-W56 WeakPolarHBondContact O-CB 3.49Å; C52-W56 PolarHBondContact O-N 3.26Å
53	I	94.7	Very high	92.5	Very high	0 Å²	0	79.9 Å²	79.9	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-73.5	-33.5	-179.9	-165.1	63.1	0	0	0	111.8	V40 I42 F48 C49 W56 W57 P67 L78	V40-I53 HydrophobicContact CG2-CG2 3.56Å; I42-I53 HydrophobicContact CG2-CG1 4.28Å; F48-I53 HydrophobicContact CB-CB 3.86Å; F48-I53 HydrophobicContact CB-CG2 4.3Å; F48-I53 HydrophobicContact CD2-CB 4.39Å; F48-I53 HydrophobicContact CD2-CD1 4.01Å; F48-I53 HydrophobicContact CD2-CG1 4.21Å; F48-I53 HydrophobicContact CE2-CD1 4.29Å; F48-I53 HydrophobicContact CG-CB 4.23Å; F48-I53 HydrophobicContact CG-CD1 4.25Å; F48-I53 HydrophobicContact CG-CG1 4.48Å; C49-I53 PolarHBondContact O-N 3.42Å; C49-I53 VanDerWaalsContact O-N 3.1Å; I53-W56 HydrophobicContact CD1-CB 4.48Å; I53-W56 PolarHBondContact O-N 3.43Å; I53-W57 HydrophobicContact CD1-CD2 4.27Å; I53-W57 HydrophobicContact CD1-CZ2 3.9Å; I53-W57 HydrophobicContact CG1-CD2 4.01Å; I53-W57 HydrophobicContact CG1-CE3 4.23Å; I53-W57 HydrophobicContact CG1-CH2 4.17Å; I53-W57 HydrophobicContact CG1-CZ2 3.92Å; I53-W57 HydrophobicContact CG1-CZ3 4.32Å; I53-W57 PolarHBondContact O-N 3.01Å; I53-P67 HydrophobicContact CD1-CG 3.75Å; I53-L78 HydrophobicContact CG1-CD2 4.15Å; I53-L78 HydrophobicContact CG2-CD1 3.86Å; I53-L78 HydrophobicContact CG2-CD2 3.63Å; I53-L78 HydrophobicContact CG2-CG 4.41Å
54	T	93.5	Very high	92.5	Very high	62 Å²	62	74.9 Å²	74.9	38%	0.38	37%	0.369	S	S	.	.	H	α-helix	trans	-63.7	-44.8	175	-56.7	0	0	0	0	110.9	K50 A51 W56 W57 E58	K50-T54 VanDerWaalsContact O-CB 3.23Å; K50-T54 WeakPolarHBondContact O-CB 3.46Å; K50-T54 PolarHBondContact O-N 3.03Å; K50-T54 PolarHBondContact O-OG1 2.81Å; A51-T54 PolarHBondContact O-N 3.49Å; T54-W56 VanDerWaalsContact C-N 3.35Å; T54-W57 CarbonylContact O-C 3.45Å; T54-W57 PolarHBondContact O-N 3.35Å; T54-E58 PolarHBondContact O-N 3.48Å
55	R	94.2	Very high	92.5	Very high	173 Å²	173	74.8 Å²	74.8	65%	0.653	37%	0.369	S	S	*	.	H	α-helix	trans	-64.2	-38.8	174.9	-168.4	178.4	73.4	177.5	4.3	112.1	A51 W57 E58	A51-R55 WeakPolarHBondContact O-CB 3.37Å; A51-R55 PolarHBondContact O-N 3.13Å; R55-W57 PolarHBondContact O-N 3.33Å; R55-E58 VanDerWaalsContact O-CB 3.3Å; R55-E58 WeakPolarHBondContact O-CB 3.25Å; R55-E58 PolarHBondContact O-N 2.85Å
56	W	90.9	Very high	92.6	Very high	139 Å²	139	73.1 Å²	73.1	53%	0.527	35%	0.351	S	S	.	.	H	α-helix	trans	-64.2	-30	176.4	-173.6	-97.7	0	0	0	113	C52 I53 T54 P67	C52-W56 WeakPolarHBondContact O-CB 3.49Å; C52-W56 PolarHBondContact O-N 3.26Å; I53-W56 HydrophobicContact CD1-CB 4.48Å; I53-W56 PolarHBondContact O-N 3.43Å; T54-W56 VanDerWaalsContact C-N 3.35Å; W56-P67 HydrophobicContact CD2-CG 4.32Å; W56-P67 HydrophobicContact CG-CG 4.08Å
57	W	93	Very high	92.5	Very high	4 Å²	4	71.9 Å²	71.9	2%	0.015	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	8	178.4	-67	-14.4	0	0	0	113.8	I42 I53 T54 R55 D59 L60 F64 P65 R76 L78	I42-W57 HydrophobicContact CB-CH2 4.16Å; I42-W57 HydrophobicContact CD1-CZ2 4.24Å; I42-W57 HydrophobicContact CG2-CH2 3.65Å; I42-W57 HydrophobicContact CG2-CZ2 4.2Å; I42-W57 HydrophobicContact CG2-CZ3 4.46Å; I53-W57 HydrophobicContact CD1-CD2 4.27Å; I53-W57 HydrophobicContact CD1-CZ2 3.9Å; I53-W57 HydrophobicContact CG1-CD2 4.01Å; I53-W57 HydrophobicContact CG1-CE3 4.23Å; I53-W57 HydrophobicContact CG1-CH2 4.17Å; I53-W57 HydrophobicContact CG1-CZ2 3.92Å; I53-W57 HydrophobicContact CG1-CZ3 4.32Å; I53-W57 PolarHBondContact O-N 3.01Å; T54-W57 CarbonylContact O-C 3.45Å; T54-W57 PolarHBondContact O-N 3.35Å; R55-W57 PolarHBondContact O-N 3.33Å; W57-D59 PolarHBondContact O-N 3.42Å; W57-L60 PolarHBondContact O-N 3.23Å; W57-F64 HydrophobicContact CB-CD1 3.89Å; W57-F64 HydrophobicContact CB-CE1 4.37Å; W57-F64 HydrophobicContact CD2-CB 3.82Å; W57-F64 AromaticContact CD2-CD1 3.86Å; W57-F64 HydrophobicContact CD2-CD1 3.86Å; W57-F64 HydrophobicContact CD2-CG 4.18Å; W57-F64 HydrophobicContact CE3-CB 4.16Å; W57-F64 HydrophobicContact CE3-CD1 4.11Å; W57-F64 HydrophobicContact CE3-CG 4.28Å; W57-F64 HydrophobicContact CG-CB 4.31Å; W57-F64 AromaticContact CG-CD1 3.76Å; W57-F64 HydrophobicContact CG-CD1 3.76Å; W57-F64 HydrophobicContact CG-CG 4.47Å; W57-F64 HydrophobicContact CH2-CB 4.1Å; W57-F64 HydrophobicContact CZ2-CB 3.77Å; W57-F64 HydrophobicContact CZ3-CB 4.28Å; W57-P65 PolarHBondContact NE1-O 3.05Å; W57-R76 HydrophobicContact CE3-CB 4.49Å; W57-R76 HydrophobicContact CE3-CG 4.36Å; W57-R76 PolarHBondContact O-NH2 3.29Å; W57-L78 HydrophobicContact CE3-CD2 4.06Å; W57-L78 HydrophobicContact CH2-CD2 3.86Å; W57-L78 HydrophobicContact CZ3-CD2 3.33Å; W57-L78 HydrophobicContact CZ3-CG 3.98Å
58	E	90.2	Very high	92.4	Very high	126 Å²	126	73.1 Å²	73.1	59%	0.589	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-52	-170.3	-170.5	161.1	-156.3	0	0	111.4	T54 R55 L60 R76	T54-E58 PolarHBondContact O-N 3.48Å; R55-E58 VanDerWaalsContact O-CB 3.3Å; R55-E58 WeakPolarHBondContact O-CB 3.25Å; R55-E58 PolarHBondContact O-N 2.85Å; E58-L60 PolarHBondContact O-N 3.18Å; E58-R76 PolarHBondContact O-NH2 3.18Å; E58-R76 VanDerWaalsContact O-NH2 3.14Å
59	D	89.1	Confident	92.4	Very high	152 Å²	152	75.4 Å²	75.4	81%	0.813	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	4.2	-176.1	-57.6	-43.6	0	0	0	114.8	W57	W57-D59 PolarHBondContact O-N 3.42Å
60	L	88.5	Confident	92.1	Very high	58 Å²	58	85.1 Å²	85.1	30%	0.304	41%	0.409	S	S	.	.			trans	-98.3	118.4	-176.7	-62.3	178.7	0	0	0	110.9	W57 E58 F64 P65 R76	W57-L60 PolarHBondContact O-N 3.23Å; E58-L60 PolarHBondContact O-N 3.18Å; L60-F64 HydrophobicContact CB-CD1 4.1Å; L60-F64 HydrophobicContact CB-CE1 3.9Å; L60-F64 WeakPolarHBondContact O-CE1 3.37Å; L60-F64 WeakPolarHBondContact O-CZ 3.49Å; L60-P65 HydrophobicContact CD1-CG 4.25Å; L60-R76 PolarHBondContact O-NH2 2.96Å
61	E	83.8	Confident	91.9	Very high	190 Å²	190	87.5 Å²	87.5	89%	0.888	42%	0.42	S	S	*	.	S	Bend	trans	-85.8	-29.5	176.2	-67	-174.4	166.1	0	0	112.9
62	R	85.8	Confident	91.6	Very high	199 Å²	199	88.1 Å²	88.1	75%	0.751	42%	0.416	S	S	*	.	S	Bend	trans	-143.6	159.2	178.3	70.3	-176.9	-171.2	-131.1	1.1	110.4
63	D	88.2	Confident	91.1	Very high	83 Å²	83	87.7 Å²	87.7	44%	0.444	41%	0.413	S	S	.	.			trans	56.7	92.3	-179.1	-59.2	-47.1	0	0	0	112.8	P65 T72	D63-P65 WeakPolarHBondContact O-CD 3.13Å; D63-T72 HydrophobicContact CB-CG2 4.24Å
64	F	91.7	Very high	90.7	Very high	9 Å²	9	97.2 Å²	97.2	4%	0.039	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	95.1	-175.2	-61.5	-72.8	0	0	0	110.6	W57 L60 T72 S73 R76	W57-F64 HydrophobicContact CB-CD1 3.89Å; W57-F64 HydrophobicContact CB-CE1 4.37Å; W57-F64 HydrophobicContact CD2-CB 3.82Å; W57-F64 AromaticContact CD2-CD1 3.86Å; W57-F64 HydrophobicContact CD2-CD1 3.86Å; W57-F64 HydrophobicContact CD2-CG 4.18Å; W57-F64 HydrophobicContact CE3-CB 4.16Å; W57-F64 HydrophobicContact CE3-CD1 4.11Å; W57-F64 HydrophobicContact CE3-CG 4.28Å; W57-F64 HydrophobicContact CG-CB 4.31Å; W57-F64 AromaticContact CG-CD1 3.76Å; W57-F64 HydrophobicContact CG-CD1 3.76Å; W57-F64 HydrophobicContact CG-CG 4.47Å; W57-F64 HydrophobicContact CH2-CB 4.1Å; W57-F64 HydrophobicContact CZ2-CB 3.77Å; W57-F64 HydrophobicContact CZ3-CB 4.28Å; L60-F64 HydrophobicContact CB-CD1 4.1Å; L60-F64 HydrophobicContact CB-CE1 3.9Å; L60-F64 WeakPolarHBondContact O-CE1 3.37Å; L60-F64 WeakPolarHBondContact O-CZ 3.49Å; F64-T72 WeakPolarHBondContact O-CA 3.45Å; F64-S73 WeakPolarHBondContact CD2-O 3.41Å; F64-S73 PolarHBondContact N-O 3.32Å; F64-S73 PolarHBondContact O-N 2.96Å; F64-R76 HydrophobicContact CD1-CG 3.78Å; F64-R76 HydrophobicContact CD2-CG 3.98Å; F64-R76 HydrophobicContact CE1-CG 3.34Å; F64-R76 HydrophobicContact CE2-CG 3.57Å; F64-R76 HydrophobicContact CG-CG 4.09Å; F64-R76 HydrophobicContact CZ-CG 3.24Å
65	P	92.5	Very high	90.3	Very high	37 Å²	37	102.2 Å²	102.2	24%	0.24	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	140.4	-175.7	31.1	-35.6	0	0	0	111.5	W57 L60 D63 T72	W57-P65 PolarHBondContact NE1-O 3.05Å; L60-P65 HydrophobicContact CD1-CG 4.25Å; D63-P65 WeakPolarHBondContact O-CD 3.13Å; P65-T72 HydrophobicContact CB-CG2 3.84Å
66	C	93.7	Very high	89.9	Confident	2 Å²	2	100 Å²	100	1%	0.014	45%	0.453	C	S	.	.			trans	-67	128	167.1	175.2	0	0	0	0	110.8	I42 C44 H46 V68 C69 R70 K71	I42-C66 HydrophobicContact CD1-CB 3.65Å; C44-C66 PolarHBondContact SG-SG 3.4Å; H46-C66 PolarHBondContact ND1-SG 2.92Å; H46-C66 VanDerWaalsContact ND1-SG 3.4Å; C66-V68 PolarHBondContact O-N 3.19Å; C66-V68 VanDerWaalsContact O-N 3.13Å; C66-V68 PolarHBondContact SG-N 3.14Å; C66-C69 PolarHBondContact SG-N 3.41Å; C66-C69 VanDerWaalsContact SG-N 3.45Å; C66-C69 VanDerWaalsContact SG-SG 3.66Å; C66-R70 WeakPolarHBondContact O-CA 3.19Å; C66-R70 PolarHBondContact O-N 3.36Å; C66-K71 PolarHBondContact N-O 2.55Å
67	P	93.4	Very high	89.7	Confident	39 Å²	39	95.3 Å²	95.3	25%	0.253	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-27	174.8	-26.5	32.9	0	0	0	114.9	V31 F48 I53 W56	V31-P67 HydrophobicContact CG2-CB 4.11Å; V31-P67 HydrophobicContact CG2-CG 4.07Å; F48-P67 HydrophobicContact CD1-CG 4.44Å; F48-P67 HydrophobicContact CE1-CB 3.97Å; F48-P67 HydrophobicContact CE1-CG 3.82Å; F48-P67 HydrophobicContact CZ-CB 4.28Å; F48-P67 HydrophobicContact CZ-CG 4.01Å; I53-P67 HydrophobicContact CD1-CG 3.75Å; W56-P67 HydrophobicContact CD2-CG 4.32Å; W56-P67 HydrophobicContact CG-CG 4.08Å
68	V	93.1	Very high	89.7	Confident	71 Å²	71	97.4 Å²	97.4	43%	0.43	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-60.5	-175.5	-179.4	0	0	0	0	111.7	S30 F48 C66	S30-V68 VanDerWaalsContact OG-CG2 3.26Å; S30-V68 WeakPolarHBondContact OG-CG2 3.45Å; F48-V68 HydrophobicContact CE1-CG2 3.91Å; F48-V68 HydrophobicContact CZ-CG2 3.87Å; C66-V68 PolarHBondContact O-N 3.19Å; C66-V68 VanDerWaalsContact O-N 3.13Å; C66-V68 PolarHBondContact SG-N 3.14Å
69	C	95.2	Very high	89.9	Confident	49 Å²	49	99.6 Å²	99.6	33%	0.331	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-1.6	-173	71.3	0	0	0	0	114.9	C44 C66 K71	C44-C69 VanDerWaalsContact SG-SG 3.61Å; C66-C69 PolarHBondContact SG-N 3.41Å; C66-C69 VanDerWaalsContact SG-N 3.45Å; C66-C69 VanDerWaalsContact SG-SG 3.66Å; C69-K71 PolarHBondContact O-N 3.05Å
70	R	91.8	Very high	90.2	Very high	208 Å²	208	97.1 Å²	97.1	79%	0.785	45%	0.448	S	S	*	.			trans	61	0.6	-180	-53.6	-178.2	-178.7	-174.5	-0.5	116.6	C66 T72	C66-R70 WeakPolarHBondContact O-CA 3.19Å; C66-R70 PolarHBondContact O-N 3.36Å; R70-T72 PolarHBondContact O-N 2.7Å
71	K	92.6	Very high	90.5	Very high	148 Å²	148	96.1 Å²	96.1	64%	0.643	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-55.6	127.9	168.9	-69.3	-178.9	-179.2	177.4	0	109.4	C44 C66 C69	C44-K71 HydrophobicContact CB-CB 4.2Å; C44-K71 HydrophobicContact CB-CD 4.09Å; C66-K71 PolarHBondContact N-O 2.55Å; C69-K71 PolarHBondContact O-N 3.05Å
72	T	90.3	Very high	91	Very high	86 Å²	86	97.1 Å²	97.1	53%	0.528	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	133.4	-178.9	40	0	0	0	0	111.1	D63 F64 P65 R70	D63-T72 HydrophobicContact CB-CG2 4.24Å; F64-T72 WeakPolarHBondContact O-CA 3.45Å; P65-T72 HydrophobicContact CB-CG2 3.84Å; R70-T72 PolarHBondContact O-N 2.7Å
73	S	88	Confident	91.4	Very high	6 Å²	6	94.9 Å²	94.9	4%	0.042	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	145.2	168.7	-179	0	0	0	0	110.5	E43 F64 Y75	E43-S73 PolarHBondContact OE1-OG 3.13Å; E43-S73 WeakPolarHBondContact OE2-CA 3.33Å; E43-S73 WeakPolarHBondContact OE2-CB 3.47Å; E43-S73 PolarHBondContact OE2-OG 3.5Å; F64-S73 WeakPolarHBondContact CD2-O 3.41Å; F64-S73 PolarHBondContact N-O 3.32Å; F64-S73 PolarHBondContact O-N 2.96Å; S73-Y75 VanDerWaalsContact C-N 3.33Å; S73-Y75 PolarHBondContact OG-N 3Å; S73-Y75 PolarHBondContact OG-O 3.43Å
74	R	85.2	Confident	91.7	Very high	201 Å²	201	92 Å²	92	76%	0.758	42%	0.422	S	S	*	.	S	Bend	trans	-75.9	-21.5	174.8	-70.5	-172.8	179.3	-179.5	0.7	113.2
75	Y	85.1	Confident	91.8	Very high	167 Å²	167	92.4 Å²	92.4	66%	0.655	43%	0.428	S	S	*	.	S	Bend	trans	-127.8	152.1	-175.2	-55.4	-75.2	0	0	0	110.7	S73 S77	S73-Y75 VanDerWaalsContact C-N 3.33Å; S73-Y75 PolarHBondContact OG-N 3Å; S73-Y75 PolarHBondContact OG-O 3.43Å; Y75-S77 PolarHBondContact O-N 3.44Å
76	R	85.9	Confident	91.8	Very high	125 Å²	125	94.1 Å²	94.1	47%	0.472	44%	0.441	S	S	.	.			trans	-73.7	59.7	170.8	-63.8	-172.1	-177.9	-168	-2	111.2	W57 E58 L60 F64 L78	W57-R76 HydrophobicContact CE3-CB 4.49Å; W57-R76 HydrophobicContact CE3-CG 4.36Å; W57-R76 PolarHBondContact O-NH2 3.29Å; E58-R76 PolarHBondContact O-NH2 3.18Å; E58-R76 VanDerWaalsContact O-NH2 3.14Å; L60-R76 PolarHBondContact O-NH2 2.96Å; F64-R76 HydrophobicContact CD1-CG 3.78Å; F64-R76 HydrophobicContact CD2-CG 3.98Å; F64-R76 HydrophobicContact CE1-CG 3.34Å; F64-R76 HydrophobicContact CE2-CG 3.57Å; F64-R76 HydrophobicContact CG-CG 4.09Å; F64-R76 HydrophobicContact CZ-CG 3.24Å; R76-L78 PolarHBondContact O-N 3.01Å; R76-L78 VanDerWaalsContact O-N 3.12Å
77	S	87.3	Confident	91.7	Very high	42 Å²	42	99.3 Å²	99.3	29%	0.294	47%	0.467	S	S	.	.			trans	-82	88.5	-179.4	-158.4	0	0	0	0	110.8	Y75	Y75-S77 PolarHBondContact O-N 3.44Å
78	L	92.7	Very high	91.7	Very high	47 Å²	47	97.5 Å²	97.5	25%	0.246	46%	0.455	C	S	.	.			trans	-101	108.7	173.3	-60	-177.4	0	0	0	109.4	V40 I42 I53 W57 R76	V40-L78 HydrophobicContact CB-CB 4.3Å; V40-L78 HydrophobicContact CG1-CB 4.39Å; V40-L78 HydrophobicContact CG2-CB 4.44Å; V40-L78 HydrophobicContact CG2-CD2 4.1Å; I42-L78 HydrophobicContact CG2-CD2 3.68Å; I53-L78 HydrophobicContact CG1-CD2 4.15Å; I53-L78 HydrophobicContact CG2-CD1 3.86Å; I53-L78 HydrophobicContact CG2-CD2 3.63Å; I53-L78 HydrophobicContact CG2-CG 4.41Å; W57-L78 HydrophobicContact CE3-CD2 4.06Å; W57-L78 HydrophobicContact CH2-CD2 3.86Å; W57-L78 HydrophobicContact CZ3-CD2 3.33Å; W57-L78 HydrophobicContact CZ3-CG 3.98Å; R76-L78 PolarHBondContact O-N 3.01Å; R76-L78 VanDerWaalsContact O-N 3.12Å
79	R	94.7	Very high	91.7	Very high	173 Å²	173	98.6 Å²	98.6	65%	0.653	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	122	176.8	-66.2	-171.4	-174.9	-163.5	1.8	110.4	V40 I41 N81	V40-R79 CarbonylContact C-O 3.48Å; V40-R79 VanDerWaalsContact CA-O 3.24Å; V40-R79 WeakPolarHBondContact CA-O 3.42Å; I41-R79 HydrophobicContact CG2-CB 3.89Å; I41-R79 PolarHBondContact N-O 3.19Å; I41-R79 PolarHBondContact O-N 3.42Å; R79-N81 PolarHBondContact O-N 3.35Å
80	P	96	Very high	91.5	Very high	99 Å²	99	100.6 Å²	100.6	64%	0.643	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.1	124.3	174.5	-24.1	34.1	0	0	0	112	R82	P80-R82 PolarHBondContact O-N 2.99Å
81	N	94.6	Very high	91.4	Very high	38 Å²	38	90.8 Å²	90.8	20%	0.203	43%	0.425	C	S	.	.			trans	-100.3	79.4	178	-170.1	-14.7	0	0	0	109.9	P39 N47 R79 Q83 L84 G85	P39-N81 WeakPolarHBondContact CG-O 3.46Å; P39-N81 PolarHBondContact O-N 3.37Å; N47-N81 PolarHBondContact OD1-ND2 3.41Å; N47-N81 VanDerWaalsContact OD1-ND2 3.1Å; R79-N81 PolarHBondContact O-N 3.35Å; N81-Q83 VanDerWaalsContact C-N 3.31Å; N81-Q83 PolarHBondContact O-N 3.04Å; N81-L84 HydrophobicContact CB-CB 4.06Å; N81-L84 VanDerWaalsContact CG-CB 3.4Å; N81-L84 WeakPolarHBondContact ND2-CB 3.22Å; N81-L84 PolarHBondContact O-N 3.35Å; N81-L84 WeakPolarHBondContact OD1-CB 3.39Å; N81-L84 PolarHBondContact OD1-N 3.3Å; N81-L84 VanDerWaalsContact OD1-N 3.13Å; N81-G85 PolarHBondContact O-N 3.05Å
82	R	93.2	Very high	91.2	Very high	211 Å²	211	86.8 Å²	86.8	80%	0.796	41%	0.408	S	S	*	.	H	α-helix	trans	-61.1	-36.7	-175.9	-67.7	-176.1	-179.2	160.2	0.1	113.2	P80 G85 S86	P80-R82 PolarHBondContact O-N 2.99Å; R82-G85 WeakPolarHBondContact O-CA 3.49Å; R82-G85 PolarHBondContact O-N 3.13Å; R82-G85 VanDerWaalsContact O-N 3.16Å; R82-S86 PolarHBondContact O-N 3.33Å; R82-S86 PolarHBondContact O-OG 3.2Å
83	Q	94.3	Very high	91.1	Very high	151 Å²	151	88.9 Å²	88.9	71%	0.706	41%	0.412	S	S	*	.	H	α-helix	trans	-63.5	-44.6	177.6	-76.3	178.7	-29.2	0	0	111.4	N81 G85 S86 M87	N81-Q83 VanDerWaalsContact C-N 3.31Å; N81-Q83 PolarHBondContact O-N 3.04Å; Q83-G85 VanDerWaalsContact C-N 3.27Å; Q83-G85 PolarHBondContact O-N 2.92Å; Q83-S86 WeakPolarHBondContact O-CB 3.43Å; Q83-S86 PolarHBondContact O-N 3.1Å; Q83-S86 VanDerWaalsContact O-N 3.13Å; Q83-M87 WeakPolarHBondContact O-CG 3.45Å; Q83-M87 PolarHBondContact O-N 3.06Å
84	L	94.1	Very high	91	Very high	23 Å²	23	92.4 Å²	92.4	12%	0.12	43%	0.429	C	S	.	.	H	α-helix	trans	-62	-38.4	173.1	-177.1	58.5	0	0	0	111.2	L36 P39 N47 N81 S86 M87 V88	L36-L84 HydrophobicContact CD1-CD2 3.73Å; L36-L84 HydrophobicContact CD1-CG 4.1Å; P39-L84 HydrophobicContact CB-CB 4.46Å; P39-L84 HydrophobicContact CB-CD2 4.04Å; P39-L84 HydrophobicContact CB-CG 4.22Å; P39-L84 HydrophobicContact CG-CB 4.36Å; P39-L84 HydrophobicContact CG-CG 4.4Å; N47-L84 HydrophobicContact CB-CD2 3.4Å; N47-L84 WeakPolarHBondContact OD1-CD2 3.33Å; N81-L84 HydrophobicContact CB-CB 4.06Å; N81-L84 VanDerWaalsContact CG-CB 3.4Å; N81-L84 WeakPolarHBondContact ND2-CB 3.22Å; N81-L84 PolarHBondContact O-N 3.35Å; N81-L84 WeakPolarHBondContact OD1-CB 3.39Å; N81-L84 PolarHBondContact OD1-N 3.3Å; N81-L84 VanDerWaalsContact OD1-N 3.13Å; L84-S86 VanDerWaalsContact C-N 3.33Å; L84-S86 PolarHBondContact O-N 3.42Å; L84-M87 PolarHBondContact O-N 3.16Å; L84-V88 HydrophobicContact CD1-CG2 4.46Å; L84-V88 HydrophobicContact CG-CG2 4.44Å; L84-V88 WeakPolarHBondContact O-CB 3.44Å; L84-V88 WeakPolarHBondContact O-CG2 3.47Å; L84-V88 PolarHBondContact O-N 2.89Å
85	G	93.7	Very high	90.9	Very high	18 Å²	18	85.8 Å²	85.8	19%	0.186	41%	0.407	C	S	.	.	H	α-helix	trans	-56.1	-45.3	171.3	0	0	0	0	0	112.7	N81 R82 Q83 V88 E89	N81-G85 PolarHBondContact O-N 3.05Å; R82-G85 WeakPolarHBondContact O-CA 3.49Å; R82-G85 PolarHBondContact O-N 3.13Å; R82-G85 VanDerWaalsContact O-N 3.16Å; Q83-G85 VanDerWaalsContact C-N 3.27Å; Q83-G85 PolarHBondContact O-N 2.92Å; G85-V88 WeakPolarHBondContact O-CB 3.48Å; G85-V88 PolarHBondContact O-N 3.48Å; G85-E89 PolarHBondContact O-N 3.39Å
86	S	92.9	Very high	90.8	Very high	73 Å²	73	80.2 Å²	80.2	51%	0.51	40%	0.395	S	S	.	.	H	α-helix	trans	-64.6	-40.7	174.3	-58.6	0	0	0	0	112.7	R82 Q83 L84 V88 E89 I90	R82-S86 PolarHBondContact O-N 3.33Å; R82-S86 PolarHBondContact O-OG 3.2Å; Q83-S86 WeakPolarHBondContact O-CB 3.43Å; Q83-S86 PolarHBondContact O-N 3.1Å; Q83-S86 VanDerWaalsContact O-N 3.13Å; L84-S86 VanDerWaalsContact C-N 3.33Å; L84-S86 PolarHBondContact O-N 3.42Å; S86-V88 VanDerWaalsContact C-N 3.32Å; S86-V88 PolarHBondContact O-N 3.47Å; S86-E89 PolarHBondContact O-N 3.05Å; S86-I90 WeakPolarHBondContact O-CG1 3.49Å; S86-I90 PolarHBondContact O-N 3.22Å
87	M	91.8	Very high	90.5	Very high	111 Å²	111	78.1 Å²	78.1	55%	0.547	40%	0.397	S	S	.	.	H	α-helix	trans	-63.6	-37.9	176.5	-70.1	175.7	175.6	0	0	112	Q83 L84 E89 I90 A91	Q83-M87 WeakPolarHBondContact O-CG 3.45Å; Q83-M87 PolarHBondContact O-N 3.06Å; L84-M87 PolarHBondContact O-N 3.16Å; M87-E89 VanDerWaalsContact C-N 3.33Å; M87-E89 PolarHBondContact O-N 2.69Å; M87-I90 PolarHBondContact O-N 3.33Å; M87-A91 WeakPolarHBondContact O-CB 3.37Å; M87-A91 PolarHBondContact O-N 3.33Å
88	V	94.2	Very high	89.9	Confident	0 Å²	0	79 Å²	79	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-60.7	-42.1	174	168.3	0	0	0	0	110.9	A27 Y35 L36 L84 G85 S86 A91 K92	A27-V88 HydrophobicContact CB-CB 4.49Å; A27-V88 HydrophobicContact CB-CG2 3.88Å; Y35-V88 HydrophobicContact CD1-CG1 3.78Å; Y35-V88 HydrophobicContact CG-CG1 4.27Å; L36-V88 HydrophobicContact CB-CG2 3.93Å; L36-V88 HydrophobicContact CD1-CG2 4.27Å; L84-V88 HydrophobicContact CD1-CG2 4.46Å; L84-V88 HydrophobicContact CG-CG2 4.44Å; L84-V88 WeakPolarHBondContact O-CB 3.44Å; L84-V88 WeakPolarHBondContact O-CG2 3.47Å; L84-V88 PolarHBondContact O-N 2.89Å; G85-V88 WeakPolarHBondContact O-CB 3.48Å; G85-V88 PolarHBondContact O-N 3.48Å; S86-V88 VanDerWaalsContact C-N 3.32Å; S86-V88 PolarHBondContact O-N 3.47Å; V88-A91 WeakPolarHBondContact O-CB 3.49Å; V88-A91 PolarHBondContact O-N 3.16Å; V88-K92 WeakPolarHBondContact O-CG 3.31Å; V88-K92 PolarHBondContact O-N 3.26Å
89	E	93.1	Very high	89	Confident	95 Å²	95	84.7 Å²	84.7	44%	0.444	41%	0.413	S	S	.	.	H	α-helix	trans	-66.2	-39.3	175.4	-64.6	-51.5	128.7	0	0	112.6	G85 S86 M87 K92 Q93	G85-E89 PolarHBondContact O-N 3.39Å; S86-E89 PolarHBondContact O-N 3.05Å; M87-E89 VanDerWaalsContact C-N 3.33Å; M87-E89 PolarHBondContact O-N 2.69Å; E89-K92 WeakPolarHBondContact O-CB 3.43Å; E89-K92 PolarHBondContact O-N 2.89Å; E89-K92 IonicContact OE1-NZ 2.96Å; E89-K92 PolarHBondContact OE1-NZ 3.41Å; E89-K92 IonicContact OE2-NZ 2.84Å; E89-Q93 WeakPolarHBondContact O-CG 3.46Å; E89-Q93 PolarHBondContact O-N 3.37Å
90	I	89.5	Confident	88	Confident	90 Å²	90	82.6 Å²	82.6	46%	0.462	41%	0.409	S	S	.	.	H	α-helix	trans	-62.8	-43.5	173.1	-65.5	167.7	0	0	0	110.4	S86 M87 K92 Q93 L94	S86-I90 WeakPolarHBondContact O-CG1 3.49Å; S86-I90 PolarHBondContact O-N 3.22Å; M87-I90 PolarHBondContact O-N 3.33Å; I90-K92 VanDerWaalsContact C-N 3.32Å; I90-K92 PolarHBondContact O-N 3.43Å; I90-Q93 PolarHBondContact O-N 2.97Å; I90-Q93 VanDerWaalsContact O-N 3.16Å; I90-L94 HydrophobicContact CG2-CD1 3.96Å; I90-L94 HydrophobicContact CG2-CG 4.25Å; I90-L94 WeakPolarHBondContact O-CB 3.5Å; I90-L94 WeakPolarHBondContact O-CG 3.37Å; I90-L94 PolarHBondContact O-N 2.84Å
91	A	89.6	Confident	86.8	Confident	2 Å²	2	83 Å²	83	2%	0.017	41%	0.405	C	S	.	.	H	α-helix	trans	-58.9	-43.3	176.6	0	0	0	0	0	111.6	L23 A27 Y35 M87 V88 Q93 L94 Q95	L23-A91 HydrophobicContact CD2-CB 3.82Å; L23-A91 HydrophobicContact CG-CB 3.84Å; A27-A91 HydrophobicContact CB-CB 4.04Å; Y35-A91 HydrophobicContact CE1-CB 3.91Å; M87-A91 WeakPolarHBondContact O-CB 3.37Å; M87-A91 PolarHBondContact O-N 3.33Å; V88-A91 WeakPolarHBondContact O-CB 3.49Å; V88-A91 PolarHBondContact O-N 3.16Å; A91-Q93 PolarHBondContact O-N 3.4Å; A91-L94 PolarHBondContact O-N 2.88Å; A91-Q95 WeakPolarHBondContact O-CB 3.39Å; A91-Q95 PolarHBondContact O-N 2.92Å
92	K	89.3	Confident	85.7	Confident	64 Å²	64	89 Å²	89	28%	0.278	43%	0.425	S	S	.	.	H	α-helix	trans	-60.2	-44.1	173.2	-71.1	171.8	-173.9	169.1	0	112.5	Y35 V88 E89 I90 Q95 A96	Y35-K92 HydrophobicContact CD1-CG 4.25Å; Y35-K92 HydrophobicContact CD2-CG 3.84Å; Y35-K92 HydrophobicContact CE1-CG 4.24Å; Y35-K92 HydrophobicContact CE2-CG 3.87Å; Y35-K92 HydrophobicContact CG-CG 4.03Å; V88-K92 WeakPolarHBondContact O-CG 3.31Å; V88-K92 PolarHBondContact O-N 3.26Å; E89-K92 WeakPolarHBondContact O-CB 3.43Å; E89-K92 PolarHBondContact O-N 2.89Å; E89-K92 IonicContact OE1-NZ 2.96Å; E89-K92 PolarHBondContact OE1-NZ 3.41Å; E89-K92 IonicContact OE2-NZ 2.84Å; I90-K92 VanDerWaalsContact C-N 3.32Å; I90-K92 PolarHBondContact O-N 3.43Å; K92-Q95 PolarHBondContact O-N 2.65Å; K92-A96 WeakPolarHBondContact O-CB 3.47Å; K92-A96 PolarHBondContact O-N 2.85Å
93	Q	88.4	Confident	84.5	Confident	131 Å²	131	83.1 Å²	83.1	61%	0.612	41%	0.409	S	S	*	.	H	α-helix	trans	-63.6	-45.8	177.7	-72.9	178.6	-2.2	0	0	111.8	E89 I90 A91 Q95 A96 V97	E89-Q93 WeakPolarHBondContact O-CG 3.46Å; E89-Q93 PolarHBondContact O-N 3.37Å; I90-Q93 PolarHBondContact O-N 2.97Å; I90-Q93 VanDerWaalsContact O-N 3.16Å; A91-Q93 PolarHBondContact O-N 3.4Å; Q93-Q95 VanDerWaalsContact C-N 3.3Å; Q93-Q95 PolarHBondContact O-N 3.2Å; Q93-A96 CarbonylContact O-C 3.6Å; Q93-A96 WeakPolarHBondContact O-CB 3.27Å; Q93-A96 PolarHBondContact O-N 2.85Å; Q93-A96 VanDerWaalsContact O-N 3.11Å; Q93-V97 WeakPolarHBondContact O-CG2 3.42Å; Q93-V97 PolarHBondContact O-N 3.35Å
94	L	85.9	Confident	83.7	Confident	79 Å²	79	82 Å²	82	41%	0.414	40%	0.403	S	S	.	.	H	α-helix	trans	-62.1	-39.5	176.7	-71.6	175.1	0	0	0	111.5	L20 L23 I90 A91 A96 V97 K98	L20-L94 HydrophobicContact CD2-CB 3.75Å; L23-L94 HydrophobicContact CD2-CD1 3.97Å; I90-L94 HydrophobicContact CG2-CD1 3.96Å; I90-L94 HydrophobicContact CG2-CG 4.25Å; I90-L94 WeakPolarHBondContact O-CB 3.5Å; I90-L94 WeakPolarHBondContact O-CG 3.37Å; I90-L94 PolarHBondContact O-N 2.84Å; A91-L94 PolarHBondContact O-N 2.88Å; L94-A96 VanDerWaalsContact C-N 3.34Å; L94-V97 PolarHBondContact O-N 2.83Å; L94-K98 WeakPolarHBondContact O-CB 3.32Å; L94-K98 PolarHBondContact O-N 3.47Å
95	Q	82.8	Confident	83.1	Confident	62 Å²	62	83.6 Å²	83.6	29%	0.29	42%	0.416	S	S	.	.	H	α-helix	trans	-68.3	-33.5	174	-167.6	150.5	29.6	0	0	112.3	Y35 A91 K92 Q93 K98 R99	Y35-Q95 PolarHBondContact OH-OE1 3.41Å; A91-Q95 WeakPolarHBondContact O-CB 3.39Å; A91-Q95 PolarHBondContact O-N 2.92Å; K92-Q95 PolarHBondContact O-N 2.65Å; Q93-Q95 VanDerWaalsContact C-N 3.3Å; Q93-Q95 PolarHBondContact O-N 3.2Å; Q95-K98 PolarHBondContact O-N 3.01Å; Q95-R99 VanDerWaalsContact O-CB 3.31Å; Q95-R99 WeakPolarHBondContact O-CB 3.3Å; Q95-R99 PolarHBondContact O-N 3.49Å
96	A	82.6	Confident	82.8	Confident	50 Å²	50	85 Å²	85	41%	0.413	42%	0.419	S	S	.	.	H	α-helix	trans	-67.1	-39.8	172.4	0	0	0	0	0	112.2	K92 Q93 L94 R99 K100	K92-A96 WeakPolarHBondContact O-CB 3.47Å; K92-A96 PolarHBondContact O-N 2.85Å; Q93-A96 CarbonylContact O-C 3.6Å; Q93-A96 WeakPolarHBondContact O-CB 3.27Å; Q93-A96 PolarHBondContact O-N 2.85Å; Q93-A96 VanDerWaalsContact O-N 3.11Å; L94-A96 VanDerWaalsContact C-N 3.34Å; A96-R99 PolarHBondContact O-N 3.39Å; A96-K100 WeakPolarHBondContact O-CB 3.41Å; A96-K100 PolarHBondContact O-N 3.14Å
97	V	79.1	Confident	82.6	Confident	82 Å²	82	81.7 Å²	81.7	50%	0.497	40%	0.397	S	S	.	.	H	α-helix	trans	-65	-45.9	172.6	173.1	0	0	0	0	110.5	Q93 L94 R99 K100 I101	Q93-V97 WeakPolarHBondContact O-CG2 3.42Å; Q93-V97 PolarHBondContact O-N 3.35Å; L94-V97 PolarHBondContact O-N 2.83Å; V97-R99 VanDerWaalsContact C-N 3.29Å; V97-R99 PolarHBondContact O-N 2.87Å; V97-K100 PolarHBondContact O-N 3.11Å; V97-K100 VanDerWaalsContact O-N 3.14Å; V97-I101 HydrophobicContact CG1-CD1 3.76Å; V97-I101 HydrophobicContact CG1-CG1 4.36Å; V97-I101 WeakPolarHBondContact O-CG1 3.4Å; V97-I101 PolarHBondContact O-N 2.86Å
98	K	76.2	Confident	82.3	Confident	61 Å²	61	81.8 Å²	81.8	27%	0.265	41%	0.405	S	S	.	.	H	α-helix	trans	-57.4	-43.5	174.1	-173.6	-176.8	-176.3	177.5	0	111	L20 E21 L94 Q95 R102	L20-K98 HydrophobicContact CD1-CD 4.28Å; E21-K98 IonicContact OE1-NZ 3.35Å; L94-K98 WeakPolarHBondContact O-CB 3.32Å; L94-K98 PolarHBondContact O-N 3.47Å; Q95-K98 PolarHBondContact O-N 3.01Å; K98-R102 VanDerWaalsContact O-CB 3.27Å; K98-R102 WeakPolarHBondContact O-CB 3.4Å; K98-R102 PolarHBondContact O-N 3.38Å
99	R	73.7	Confident	81.9	Confident	166 Å²	166	88.5 Å²	88.5	63%	0.626	44%	0.437	S	S	*	.	H	α-helix	trans	-64.3	-43.1	175.8	-171.4	176.7	69.5	132.3	2.1	111.3	Q95 A96 V97 R102 D103	Q95-R99 VanDerWaalsContact O-CB 3.31Å; Q95-R99 WeakPolarHBondContact O-CB 3.3Å; Q95-R99 PolarHBondContact O-N 3.49Å; A96-R99 PolarHBondContact O-N 3.39Å; V97-R99 VanDerWaalsContact C-N 3.29Å; V97-R99 PolarHBondContact O-N 2.87Å; R99-R102 PolarHBondContact O-N 3.05Å; R99-D103 WeakPolarHBondContact O-CB 3.26Å; R99-D103 PolarHBondContact O-N 3.37Å
100	K	73.6	Confident	81.6	Confident	129 Å²	129	86.6 Å²	86.6	56%	0.561	43%	0.428	S	S	*	.	H	α-helix	trans	-63	-46.4	177.7	-172.7	175.8	176	-179.2	0	112.2	A96 V97 R102 D103 E104	A96-K100 WeakPolarHBondContact O-CB 3.41Å; A96-K100 PolarHBondContact O-N 3.14Å; V97-K100 PolarHBondContact O-N 3.11Å; V97-K100 VanDerWaalsContact O-N 3.14Å; K100-R102 VanDerWaalsContact C-N 3.31Å; K100-R102 PolarHBondContact O-N 2.9Å; K100-D103 PolarHBondContact O-N 2.84Å; K100-E104 WeakPolarHBondContact CE-OE1 3.34Å; K100-E104 IonicContact NZ-OE1 3.95Å; K100-E104 WeakPolarHBondContact O-CB 3.43Å; K100-E104 WeakPolarHBondContact O-CG 3.34Å; K100-E104 PolarHBondContact O-N 3.46Å
101	I	69.8	Low	81.4	Confident	108 Å²	108	89.1 Å²	89.1	55%	0.554	44%	0.437	S	S	*	.	H	α-helix	trans	-61.2	-43.5	175.3	-65.2	166.2	0	0	0	110.2	V97 S105	V97-I101 HydrophobicContact CG1-CD1 3.76Å; V97-I101 HydrophobicContact CG1-CG1 4.36Å; V97-I101 WeakPolarHBondContact O-CG1 3.4Å; V97-I101 PolarHBondContact O-N 2.86Å; I101-S105 WeakPolarHBondContact O-CB 3.36Å; I101-S105 PolarHBondContact O-N 3.29Å; I101-S105 PolarHBondContact O-OG 3.21Å
102	R	71.6	Confident	81.4	Confident	164 Å²	164	94 Å²	94	62%	0.619	46%	0.459	S	S	*	.	H	α-helix	trans	-62.6	-50.5	176.8	-176	-177.7	-106.1	-164	-4.7	110.9	K98 R99 K100 E104 S105 L106	K98-R102 VanDerWaalsContact O-CB 3.27Å; K98-R102 WeakPolarHBondContact O-CB 3.4Å; K98-R102 PolarHBondContact O-N 3.38Å; R99-R102 PolarHBondContact O-N 3.05Å; K100-R102 VanDerWaalsContact C-N 3.31Å; K100-R102 PolarHBondContact O-N 2.9Å; R102-E104 VanDerWaalsContact C-N 3.33Å; R102-E104 PolarHBondContact O-N 2.76Å; R102-S105 WeakPolarHBondContact CA-OG 3.32Å; R102-S105 CarbonylContact O-C 3.52Å; R102-S105 PolarHBondContact O-N 2.68Å; R102-S105 PolarHBondContact O-OG 3.07Å; R102-L106 HydrophobicContact CG-CD1 3.96Å; R102-L106 HydrophobicContact CG-CG 4.49Å; R102-L106 VanDerWaalsContact O-CG 3.26Å; R102-L106 WeakPolarHBondContact O-CG 3.29Å; R102-L106 PolarHBondContact O-N 3.3Å
103	D	69.4	Low	81.4	Confident	86 Å²	86	93.4 Å²	93.4	46%	0.46	47%	0.467	S	S	.	.	H	α-helix	trans	-62.8	-39.1	-178.1	-68.1	-9	0	0	0	111.3	R99 K100 S105 L106	R99-D103 WeakPolarHBondContact O-CB 3.26Å; R99-D103 PolarHBondContact O-N 3.37Å; K100-D103 PolarHBondContact O-N 2.84Å; D103-S105 VanDerWaalsContact C-N 3.29Å; D103-S105 PolarHBondContact O-N 3.45Å; D103-L106 PolarHBondContact O-N 3.24Å
104	E	76.4	Confident	81.5	Confident	128 Å²	128	88.8 Å²	88.8	60%	0.598	45%	0.446	S	S	*	.	H	α-helix	trans	-71.4	-21.4	175.1	-72.2	173.6	178	0	0	113.1	K100 R102	K100-E104 WeakPolarHBondContact CE-OE1 3.34Å; K100-E104 IonicContact NZ-OE1 3.95Å; K100-E104 WeakPolarHBondContact O-CB 3.43Å; K100-E104 WeakPolarHBondContact O-CG 3.34Å; K100-E104 PolarHBondContact O-N 3.46Å; R102-E104 VanDerWaalsContact C-N 3.33Å; R102-E104 PolarHBondContact O-N 2.76Å
105	S	81.2	Confident	81.8	Confident	56 Å²	56	88 Å²	88	39%	0.392	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-2.2	174.5	71	0	0	0	0	114	I101 R102 D103 L114	I101-S105 WeakPolarHBondContact O-CB 3.36Å; I101-S105 PolarHBondContact O-N 3.29Å; I101-S105 PolarHBondContact O-OG 3.21Å; R102-S105 WeakPolarHBondContact CA-OG 3.32Å; R102-S105 CarbonylContact O-C 3.52Å; R102-S105 PolarHBondContact O-N 2.68Å; R102-S105 PolarHBondContact O-OG 3.07Å; D103-S105 VanDerWaalsContact C-N 3.29Å; D103-S105 PolarHBondContact O-N 3.45Å; S105-L114 WeakPolarHBondContact O-CB 3.29Å; S105-L114 PolarHBondContact O-N 2.95Å
106	L	87.7	Confident	82.4	Confident	47 Å²	47	86.5 Å²	86.5	25%	0.246	44%	0.441	C	S	.	.	B	Isolated β-bridge	trans	-108.4	144	-178.9	-67.7	172.3	0	0	0	111	R102 D103 P108 E112	R102-L106 HydrophobicContact CG-CD1 3.96Å; R102-L106 HydrophobicContact CG-CG 4.49Å; R102-L106 VanDerWaalsContact O-CG 3.26Å; R102-L106 WeakPolarHBondContact O-CG 3.29Å; R102-L106 PolarHBondContact O-N 3.3Å; D103-L106 PolarHBondContact O-N 3.24Å; L106-P108 WeakPolarHBondContact O-CD 3.48Å; L106-E112 CarbonylContact C-O 3.59Å; L106-E112 WeakPolarHBondContact CA-O 3.46Å
107	C	88.2	Confident	83	Confident	5 Å²	5	85.1 Å²	85.1	3%	0.034	43%	0.426	C	S	.	.			trans	-67.1	125.8	176.8	177	0	0	0	0	110.1	Q109 H110 H111 E112 L114 C126 C129	C107-Q109 PolarHBondContact O-N 3.42Å; C107-Q109 VanDerWaalsContact O-N 3.16Å; C107-H110 HydrophobicContact CB-CB 4.26Å; C107-H110 PolarHBondContact O-N 2.82Å; C107-H110 PolarHBondContact SG-ND1 3Å; C107-H111 VanDerWaalsContact O-CA 3.29Å; C107-H111 WeakPolarHBondContact O-CA 3.47Å; C107-H111 PolarHBondContact O-N 3.38Å; C107-E112 WeakPolarHBondContact CB-O 3.22Å; C107-E112 PolarHBondContact N-O 3.16Å; C107-L114 HydrophobicContact CB-CD2 3.72Å; C107-L114 HydrophobicContact CB-CG 4.46Å; C107-C126 HydrophobicContact CB-CB 3.79Å; C107-C129 PolarHBondContact SG-SG 3.41Å
108	P	85.9	Confident	83.8	Confident	113 Å²	113	81.2 Å²	81.2	73%	0.734	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.8	179.9	-25.4	34	0	0	0	114.2	L106	L106-P108 WeakPolarHBondContact O-CD 3.48Å
109	Q	86.6	Confident	84.6	Confident	141 Å²	141	81.3 Å²	81.3	66%	0.659	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-37.9	-177.5	-65.4	-168.2	-16.5	0	0	112.9	C107	C107-Q109 PolarHBondContact O-N 3.42Å; C107-Q109 VanDerWaalsContact O-N 3.16Å
110	H	87.4	Confident	85.5	Confident	55 Å²	55	77.7 Å²	77.7	26%	0.255	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-14.1	-168.7	-55.4	115.2	0	0	0	113.7	C107 E112 C126 I128 C129	C107-H110 HydrophobicContact CB-CB 4.26Å; C107-H110 PolarHBondContact O-N 2.82Å; C107-H110 PolarHBondContact SG-ND1 3Å; H110-E112 HydrophobicContact CB-CB 4.26Å; H110-E112 HydrophobicContact CB-CG 4.18Å; H110-E112 PolarHBondContact O-N 3.41Å; H110-C126 PolarHBondContact ND1-SG 3.3Å; H110-I128 HydrophobicContact CB-CB 4.36Å; H110-I128 HydrophobicContact CB-CD1 4.12Å; H110-I128 VanDerWaalsContact CD2-CG2 3.49Å; H110-I128 WeakPolarHBondContact CD2-CG2 3.46Å; H110-I128 WeakPolarHBondContact NE2-CG2 2.89Å; H110-C129 PolarHBondContact CE1-SG 2.79Å; H110-C129 PolarHBondContact ND1-SG 2.75Å
111	H	85.1	Confident	86.4	Confident	142 Å²	142	74.8 Å²	74.8	66%	0.657	38%	0.382	S	S	*	.			trans	55.8	26.6	-172.7	-58.1	73	0	0	0	113.3	C107	C107-H111 VanDerWaalsContact O-CA 3.29Å; C107-H111 WeakPolarHBondContact O-CA 3.47Å; C107-H111 PolarHBondContact O-N 3.38Å
112	E	88	Confident	87.5	Confident	104 Å²	104	76.4 Å²	76.4	49%	0.486	39%	0.388	S	S	.	.			trans	-101.1	155.4	175.4	-72.9	-63	162.4	0	0	110.8	L106 C107 H110 L114 C126 I128	L106-E112 CarbonylContact C-O 3.59Å; L106-E112 WeakPolarHBondContact CA-O 3.46Å; C107-E112 WeakPolarHBondContact CB-O 3.22Å; C107-E112 PolarHBondContact N-O 3.16Å; H110-E112 HydrophobicContact CB-CB 4.26Å; H110-E112 HydrophobicContact CB-CG 4.18Å; H110-E112 PolarHBondContact O-N 3.41Å; E112-L114 PolarHBondContact O-N 3.12Å; E112-C126 HydrophobicContact CB-CB 3.78Å; E112-I128 HydrophobicContact CG-CD1 3.87Å; E112-I128 HydrophobicContact CG-CG1 4.49Å
113	A	89.1	Confident	88.5	Confident	53 Å²	53	73.1 Å²	73.1	44%	0.438	38%	0.379	S	S	.	.	B	Isolated β-bridge	trans	-59.3	132.8	-179.1	0	0	0	0	0	112.6	S115 C126	A113-S115 VanDerWaalsContact C-N 3.27Å; A113-S115 PolarHBondContact O-N 2.86Å; A113-C126 WeakPolarHBondContact O-CA 3.43Å; A113-C126 WeakPolarHBondContact O-CB 3.37Å
114	L	92.1	Very high	89.7	Confident	33 Å²	33	70.8 Å²	70.8	17%	0.173	37%	0.372	C	S	.	.			trans	-77	78.7	170.6	-65.5	178.7	0	0	0	109.2	S105 C107 E112 A124 C126 L143	S105-L114 WeakPolarHBondContact O-CB 3.29Å; S105-L114 PolarHBondContact O-N 2.95Å; C107-L114 HydrophobicContact CB-CD2 3.72Å; C107-L114 HydrophobicContact CB-CG 4.46Å; E112-L114 PolarHBondContact O-N 3.12Å; L114-A124 HydrophobicContact CB-CB 4.06Å; L114-A124 HydrophobicContact CD1-CB 4.48Å; L114-A124 WeakPolarHBondContact CD2-O 3.49Å; L114-C126 HydrophobicContact CD2-CB 4.46Å; L114-L143 VanDerWaalsContact O-CD2 3.29Å; L114-L143 WeakPolarHBondContact O-CD2 3.38Å
115	S	91.4	Very high	90.5	Very high	64 Å²	64	64.9 Å²	64.9	45%	0.448	34%	0.344	S	S	.	.			trans	-107.7	1	-175.9	67.5	0	0	0	0	113.7	A113 V125 L143	A113-S115 VanDerWaalsContact C-N 3.27Å; A113-S115 PolarHBondContact O-N 2.86Å; S115-V125 PolarHBondContact N-O 3.32Å; S115-L143 VanDerWaalsContact C-CB 3.49Å; S115-L143 VanDerWaalsContact O-CB 3.32Å; S115-L143 WeakPolarHBondContact O-CB 3.49Å; S115-L143 PolarHBondContact O-N 3Å
116	L	94.7	Very high	91.1	Very high	30 Å²	30	62.2 Å²	62.2	16%	0.157	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	162.6	178.5	-55.7	175.4	0	0	0	110	A124 V125 L127 A130 V140 V141	L116-A124 CarbonylContact O-C 3.59Å; L116-A124 VanDerWaalsContact O-CA 3.24Å; L116-A124 WeakPolarHBondContact O-CA 3.44Å; L116-V125 WeakPolarHBondContact CA-O 3.36Å; L116-V125 HydrophobicContact CB-CG2 3.86Å; L116-V125 WeakPolarHBondContact CB-O 3.32Å; L116-V125 PolarHBondContact N-O 3.3Å; L116-V125 PolarHBondContact O-N 3.24Å; L116-L127 HydrophobicContact CD1-CB 4.46Å; L116-L127 HydrophobicContact CD1-CD1 4.23Å; L116-A130 HydrophobicContact CD1-CB 3.65Å; L116-V140 HydrophobicContact CB-CG1 3.59Å; L116-V140 HydrophobicContact CD1-CG1 3.95Å; L116-V140 HydrophobicContact CG-CG1 4.28Å; L116-V141 CarbonylContact C-O 3.52Å; L116-V141 VanDerWaalsContact CA-O 3.23Å; L116-V141 WeakPolarHBondContact CA-O 3.35Å
117	F	95.8	Very high	91.3	Very high	21 Å²	21	65.4 Å²	65.4	9%	0.092	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	129.7	177.5	-178	-96.6	0	0	0	110.2	Y119 Q122 E123 V140 V141 L143 A146 Y150	F117-Y119 HydrophobicContact CD1-CD1 4.17Å; F117-Y119 HydrophobicContact CD1-CE1 4.33Å; F117-Y119 HydrophobicContact CD1-CG 4.43Å; F117-Y119 AromaticContact CE1-CD1 3.81Å; F117-Y119 HydrophobicContact CE1-CD1 3.81Å; F117-Y119 HydrophobicContact CE1-CE1 4.2Å; F117-Y119 HydrophobicContact CE1-CG 4.31Å; F117-Q122 HydrophobicContact CZ-CB 4.37Å; F117-E123 WeakPolarHBondContact CA-O 3.32Å; F117-E123 WeakPolarHBondContact CD2-O 3.38Å; F117-V140 VanDerWaalsContact O-CA 3.32Å; F117-V140 WeakPolarHBondContact O-CA 3.46Å; F117-V141 HydrophobicContact CB-CG2 4.4Å; F117-V141 PolarHBondContact N-O 3.28Å; F117-V141 PolarHBondContact O-N 2.95Å; F117-L143 HydrophobicContact CB-CD1 4.11Å; F117-L143 HydrophobicContact CD2-CD1 4.31Å; F117-A146 HydrophobicContact CB-CB 3.58Å; F117-A146 HydrophobicContact CD1-CB 3.62Å; F117-A146 HydrophobicContact CD2-CB 4.47Å; F117-A146 HydrophobicContact CE1-CB 4.43Å; F117-A146 HydrophobicContact CG-CB 3.64Å; F117-Y150 HydrophobicContact CD1-CE2 4.43Å; F117-Y150 AromaticContact CE1-CE2 3.63Å; F117-Y150 HydrophobicContact CE1-CE2 3.63Å; F117-Y150 AromaticContact CZ-CE2 3.7Å; F117-Y150 HydrophobicContact CZ-CE2 3.7Å
118	C	95.4	Very high	91.5	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	119.1	175.9	-170.1	0	0	0	0	109.6	D121 Q122 E123 V125 H138 V140	C118-D121 HydrophobicContact CB-CB 4.37Å; C118-D121 PolarHBondContact SG-OD2 2.8Å; C118-Q122 WeakPolarHBondContact O-CA 3.23Å; C118-Q122 PolarHBondContact O-N 2.85Å; C118-E123 PolarHBondContact N-O 3Å; C118-E123 PolarHBondContact O-N 3.48Å; C118-V125 HydrophobicContact CB-CG1 4.19Å; C118-V125 HydrophobicContact CB-CG2 4.45Å; C118-H138 WeakPolarHBondContact SG-CB 3.5Å; C118-H138 PolarHBondContact SG-ND1 3.47Å; C118-H138 VanDerWaalsContact SG-ND1 3.45Å; C118-V140 HydrophobicContact CB-CG2 4.21Å
119	Y	92.8	Very high	91.8	Very high	63 Å²	63	63.4 Å²	63.4	25%	0.247	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-37.2	-177.6	-78.1	-72.6	0	0	0	113.5	F117 Q122 T139 V141 E149 Y150	F117-Y119 HydrophobicContact CD1-CD1 4.17Å; F117-Y119 HydrophobicContact CD1-CE1 4.33Å; F117-Y119 HydrophobicContact CD1-CG 4.43Å; F117-Y119 AromaticContact CE1-CD1 3.81Å; F117-Y119 HydrophobicContact CE1-CD1 3.81Å; F117-Y119 HydrophobicContact CE1-CE1 4.2Å; F117-Y119 HydrophobicContact CE1-CG 4.31Å; Y119-Q122 WeakPolarHBondContact O-CG 3.45Å; Y119-T139 HydrophobicContact CD2-CG2 3.76Å; Y119-T139 WeakPolarHBondContact CD2-O 3.19Å; Y119-T139 HydrophobicContact CE2-CG2 4.23Å; Y119-T139 PolarHBondContact N-O 3.48Å; Y119-V141 HydrophobicContact CD2-CG2 4.34Å; Y119-V141 HydrophobicContact CE2-CB 4.24Å; Y119-V141 HydrophobicContact CE2-CG1 3.68Å; Y119-V141 HydrophobicContact CE2-CG2 3.51Å; Y119-E149 WeakPolarHBondContact CE1-OE2 3.37Å; Y119-E149 VanDerWaalsContact CZ-OE2 3.29Å; Y119-E149 PolarHBondContact OH-OE2 3.38Å; Y119-Y150 HydrophobicContact CE1-CE2 4.47Å
120	E	93.7	Very high	92.1	Very high	89 Å²	89	57.4 Å²	57.4	42%	0.416	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-42.3	-176.7	-70.3	80.7	169.5	0	0	111.2	H138 T139	E120-H138 HydrophobicContact CB-CB 4.27Å; E120-H138 HydrophobicContact CG-CB 4.23Å; E120-H138 WeakPolarHBondContact OE2-CB 3.38Å; E120-T139 WeakPolarHBondContact OE1-CB 3.36Å; E120-T139 PolarHBondContact OE1-N 3.35Å; E120-T139 PolarHBondContact OE1-OG1 2.78Å; E120-T139 PolarHBondContact OE2-N 3.35Å
121	D	92.5	Very high	92.2	Very high	68 Å²	68	60.4 Å²	60.4	36%	0.364	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-9.6	-179.6	-56.1	-55.7	0	0	0	113.4	C118 E123 H135 H138	C118-D121 HydrophobicContact CB-CB 4.37Å; C118-D121 PolarHBondContact SG-OD2 2.8Å; D121-E123 VanDerWaalsContact C-N 3.29Å; D121-E123 HydrophobicContact CB-CG 3.88Å; D121-E123 PolarHBondContact O-N 3.11Å; D121-H135 IonicContact OD2-CE1 3.16Å; D121-H135 PolarHBondContact OD2-CE1 3.49Å; D121-H135 IonicContact OD2-ND1 3.59Å; D121-H135 PolarHBondContact OD2-ND1 2.92Å; D121-H138 IonicContact OD1-CE1 3.9Å; D121-H138 IonicContact OD1-ND1 2.62Å; D121-H138 IonicContact OD2-CE1 3.74Å; D121-H138 PolarHBondContact OD2-CE1 2.94Å; D121-H138 IonicContact OD2-ND1 3.45Å; D121-H138 PolarHBondContact OD2-ND1 3.17Å
122	Q	93.7	Very high	92.4	Very high	143 Å²	143	55.2 Å²	55.2	67%	0.668	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	37.7	-178.2	-57.7	-174.7	13.3	0	0	114.5	F117 C118 Y119	F117-Q122 HydrophobicContact CZ-CB 4.37Å; C118-Q122 WeakPolarHBondContact O-CA 3.23Å; C118-Q122 PolarHBondContact O-N 2.85Å; Y119-Q122 WeakPolarHBondContact O-CG 3.45Å
123	E	92	Very high	92.3	Very high	95 Å²	95	58.5 Å²	58.5	44%	0.444	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	157.5	-176.2	67.8	-176.2	158	0	0	112.7	F117 C118 D121 V125 H135	F117-E123 WeakPolarHBondContact CA-O 3.32Å; F117-E123 WeakPolarHBondContact CD2-O 3.38Å; C118-E123 PolarHBondContact N-O 3Å; C118-E123 PolarHBondContact O-N 3.48Å; D121-E123 VanDerWaalsContact C-N 3.29Å; D121-E123 HydrophobicContact CB-CG 3.88Å; D121-E123 PolarHBondContact O-N 3.11Å; E123-V125 HydrophobicContact CG-CG1 4.01Å; E123-H135 IonicContact OE1-CE1 2.67Å; E123-H135 PolarHBondContact OE1-CE1 3.21Å
124	A	93.4	Very high	92.1	Very high	36 Å²	36	59.9 Å²	59.9	30%	0.298	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	134.9	172.4	0	0	0	0	0	109.8	L114 L116 L143	L114-A124 HydrophobicContact CB-CB 4.06Å; L114-A124 HydrophobicContact CD1-CB 4.48Å; L114-A124 WeakPolarHBondContact CD2-O 3.49Å; L116-A124 CarbonylContact O-C 3.59Å; L116-A124 VanDerWaalsContact O-CA 3.24Å; L116-A124 WeakPolarHBondContact O-CA 3.44Å; A124-L143 HydrophobicContact CB-CD1 4.15Å
125	V	93.9	Very high	92.1	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.024	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	158.1	-177.5	-59	0	0	0	0	110.4	S115 L116 C118 E123 C129 V140	S115-V125 PolarHBondContact N-O 3.32Å; L116-V125 WeakPolarHBondContact CA-O 3.36Å; L116-V125 HydrophobicContact CB-CG2 3.86Å; L116-V125 WeakPolarHBondContact CB-O 3.32Å; L116-V125 PolarHBondContact N-O 3.3Å; L116-V125 PolarHBondContact O-N 3.24Å; C118-V125 HydrophobicContact CB-CG1 4.19Å; C118-V125 HydrophobicContact CB-CG2 4.45Å; E123-V125 HydrophobicContact CG-CG1 4.01Å; V125-C129 HydrophobicContact CB-CB 3.86Å; V125-C129 HydrophobicContact CG1-CB 4.47Å; V125-V140 HydrophobicContact CG2-CG1 3.91Å
126	C	93.6	Very high	92	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.32	C	S	.	.			trans	-91.9	171.4	171.3	74.3	0	0	0	0	111.6	C107 H110 E112 A113 L114 I128 C129 A130	C107-C126 HydrophobicContact CB-CB 3.79Å; H110-C126 PolarHBondContact ND1-SG 3.3Å; E112-C126 HydrophobicContact CB-CB 3.78Å; A113-C126 WeakPolarHBondContact O-CA 3.43Å; A113-C126 WeakPolarHBondContact O-CB 3.37Å; L114-C126 HydrophobicContact CD2-CB 4.46Å; C126-I128 PolarHBondContact O-N 3.25Å; C126-C129 WeakPolarHBondContact O-CB 3.31Å; C126-C129 PolarHBondContact O-N 3.25Å; C126-A130 PolarHBondContact O-N 3.05Å
127	L	91.3	Very high	91.8	Very high	114 Å²	114	67.6 Å²	67.6	60%	0.597	35%	0.35	S	S	*	.	H	α-helix	trans	-57.5	-35.8	179.3	-176.3	62.2	0	0	0	113.2	L116 A130 I131	L116-L127 HydrophobicContact CD1-CB 4.46Å; L116-L127 HydrophobicContact CD1-CD1 4.23Å; L127-A130 PolarHBondContact O-N 3.32Å; L127-I131 PolarHBondContact O-N 2.97Å
128	I	92.5	Very high	91.8	Very high	69 Å²	69	69.6 Å²	69.6	35%	0.354	36%	0.36	S	S	.	.	H	α-helix	trans	-70.4	-44.4	179.6	-56.6	178.2	0	0	0	110.7	H110 E112 C126 A130 I131 S132	H110-I128 HydrophobicContact CB-CB 4.36Å; H110-I128 HydrophobicContact CB-CD1 4.12Å; H110-I128 VanDerWaalsContact CD2-CG2 3.49Å; H110-I128 WeakPolarHBondContact CD2-CG2 3.46Å; H110-I128 WeakPolarHBondContact NE2-CG2 2.89Å; E112-I128 HydrophobicContact CG-CD1 3.87Å; E112-I128 HydrophobicContact CG-CG1 4.49Å; C126-I128 PolarHBondContact O-N 3.25Å; I128-A130 VanDerWaalsContact C-N 3.28Å; I128-A130 PolarHBondContact O-N 3.42Å; I128-I131 VanDerWaalsContact O-CG1 3.31Å; I128-I131 WeakPolarHBondContact O-CG1 3.37Å; I128-I131 PolarHBondContact O-N 3.2Å; I128-S132 VanDerWaalsContact O-CB 3.31Å; I128-S132 WeakPolarHBondContact O-CB 3.31Å; I128-S132 PolarHBondContact O-N 2.89Å
129	C	93.8	Very high	91.8	Very high	8 Å²	8	73.3 Å²	73.3	5%	0.054	38%	0.382	C	S	.	.	H	α-helix	trans	-55	-45.7	172.5	-77	0	0	0	0	111.2	C107 H110 V125 C126 I131 S132 H135	C107-C129 PolarHBondContact SG-SG 3.41Å; H110-C129 PolarHBondContact CE1-SG 2.79Å; H110-C129 PolarHBondContact ND1-SG 2.75Å; V125-C129 HydrophobicContact CB-CB 3.86Å; V125-C129 HydrophobicContact CG1-CB 4.47Å; C126-C129 WeakPolarHBondContact O-CB 3.31Å; C126-C129 PolarHBondContact O-N 3.25Å; C129-I131 VanDerWaalsContact C-N 3.35Å; C129-I131 PolarHBondContact O-N 3.5Å; C129-S132 PolarHBondContact O-N 3.31Å; C129-S132 PolarHBondContact O-OG 3.37Å; C129-H135 PolarHBondContact O-CD2 3.28Å
130	A	91.1	Very high	91.8	Very high	15 Å²	15	72.3 Å²	72.3	12%	0.124	38%	0.383	C	S	.	.	H	α-helix	trans	-61	-38.2	-177.7	0	0	0	0	0	113.5	L116 C126 L127 I128 R136 V140	L116-A130 HydrophobicContact CD1-CB 3.65Å; C126-A130 PolarHBondContact O-N 3.05Å; L127-A130 PolarHBondContact O-N 3.32Å; I128-A130 VanDerWaalsContact C-N 3.28Å; I128-A130 PolarHBondContact O-N 3.42Å; A130-R136 WeakPolarHBondContact O-CA 3.27Å; A130-R136 PolarHBondContact O-N 3.37Å; A130-V140 HydrophobicContact CB-CB 4.42Å; A130-V140 HydrophobicContact CB-CG1 3.94Å; A130-V140 HydrophobicContact CB-CG2 4.38Å
131	I	90.8	Very high	91.9	Very high	118 Å²	118	69.6 Å²	69.6	61%	0.605	37%	0.372	S	S	*	.	H	α-helix	trans	-87.2	-16.6	178.1	65.7	175.5	0	0	0	113.5	L127 I128 C129	L127-I131 PolarHBondContact O-N 2.97Å; I128-I131 VanDerWaalsContact O-CG1 3.31Å; I128-I131 WeakPolarHBondContact O-CG1 3.37Å; I128-I131 PolarHBondContact O-N 3.2Å; C129-I131 VanDerWaalsContact C-N 3.35Å; C129-I131 PolarHBondContact O-N 3.5Å
132	S	89.5	Confident	92	Very high	33 Å²	33	69.3 Å²	69.3	23%	0.231	37%	0.374	C	S	.	.	S	Bend	trans	-70.1	162.2	178.9	80.3	0	0	0	0	111.4	I128 C129 T134 H135 R136	I128-S132 VanDerWaalsContact O-CB 3.31Å; I128-S132 WeakPolarHBondContact O-CB 3.31Å; I128-S132 PolarHBondContact O-N 2.89Å; C129-S132 PolarHBondContact O-N 3.31Å; C129-S132 PolarHBondContact O-OG 3.37Å; S132-T134 PolarHBondContact O-N 3.48Å; S132-T134 PolarHBondContact OG-OG1 2.75Å; S132-H135 PolarHBondContact O-N 3.49Å; S132-R136 WeakPolarHBondContact O-CB 3.46Å; S132-R136 PolarHBondContact O-N 2.83Å
133	H	85.5	Confident	92	Very high	173 Å²	173	64.8 Å²	64.8	80%	0.801	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-15.6	-179.2	-72.6	-72.4	0	0	0	114.7
134	T	85.5	Confident	91.9	Very high	81 Å²	81	65.9 Å²	65.9	50%	0.497	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-44.7	180	50.1	0	0	0	0	113.2	S132	S132-T134 PolarHBondContact O-N 3.48Å; S132-T134 PolarHBondContact OG-OG1 2.75Å
135	H	90.5	Very high	91.9	Very high	17 Å²	17	68.8 Å²	68.8	8%	0.079	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	0.8	-177.7	-50.3	-85.3	0	0	0	113.4	D121 E123 C129 S132 A137 H138 V140	D121-H135 IonicContact OD2-CE1 3.16Å; D121-H135 PolarHBondContact OD2-CE1 3.49Å; D121-H135 IonicContact OD2-ND1 3.59Å; D121-H135 PolarHBondContact OD2-ND1 2.92Å; E123-H135 IonicContact OE1-CE1 2.67Å; E123-H135 PolarHBondContact OE1-CE1 3.21Å; C129-H135 PolarHBondContact O-CD2 3.28Å; S132-H135 PolarHBondContact O-N 3.49Å; H135-A137 PolarHBondContact O-N 2.85Å; H135-H138 HydrophobicContact CB-CB 4.38Å; H135-H138 AromaticContact ND1-ND1 3.84Å; H135-H138 WeakPolarHBondContact O-CB 3.26Å; H135-H138 PolarHBondContact O-N 3.34Å; H135-V140 HydrophobicContact CB-CG2 4.21Å
136	R	89.3	Confident	91.9	Very high	176 Å²	176	68.7 Å²	68.7	66%	0.664	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-28.2	-177.3	177	175.7	-178.7	-164.2	0.3	114.3	A130 S132	A130-R136 WeakPolarHBondContact O-CA 3.27Å; A130-R136 PolarHBondContact O-N 3.37Å; S132-R136 WeakPolarHBondContact O-CB 3.46Å; S132-R136 PolarHBondContact O-N 2.83Å
137	A	92.1	Very high	91.9	Very high	97 Å²	97	71.1 Å²	71.1	80%	0.802	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-1.6	177.3	0	0	0	0	0	113.6	H135	H135-A137 PolarHBondContact O-N 2.85Å
138	H	95.2	Very high	92	Very high	63 Å²	63	70.1 Å²	70.1	29%	0.292	38%	0.38	S	S	.	.	S	Bend	trans	-96.3	162	-177.9	-63.8	178.7	0	0	0	111.4	C118 E120 D121 H135 V140	C118-H138 WeakPolarHBondContact SG-CB 3.5Å; C118-H138 PolarHBondContact SG-ND1 3.47Å; C118-H138 VanDerWaalsContact SG-ND1 3.45Å; E120-H138 HydrophobicContact CB-CB 4.27Å; E120-H138 HydrophobicContact CG-CB 4.23Å; E120-H138 WeakPolarHBondContact OE2-CB 3.38Å; D121-H138 IonicContact OD1-CE1 3.9Å; D121-H138 IonicContact OD1-ND1 2.62Å; D121-H138 IonicContact OD2-CE1 3.74Å; D121-H138 PolarHBondContact OD2-CE1 2.94Å; D121-H138 IonicContact OD2-ND1 3.45Å; D121-H138 PolarHBondContact OD2-ND1 3.17Å; H135-H138 HydrophobicContact CB-CB 4.38Å; H135-H138 AromaticContact ND1-ND1 3.84Å; H135-H138 WeakPolarHBondContact O-CB 3.26Å; H135-H138 PolarHBondContact O-N 3.34Å; H138-V140 PolarHBondContact O-N 2.81Å
139	T	94	Very high	92.1	Very high	77 Å²	77	69.7 Å²	69.7	47%	0.472	38%	0.377	S	S	.	.			trans	-83.7	104.1	176.1	-49.1	0	0	0	0	109	Y119 E120	Y119-T139 HydrophobicContact CD2-CG2 3.76Å; Y119-T139 WeakPolarHBondContact CD2-O 3.19Å; Y119-T139 HydrophobicContact CE2-CG2 4.23Å; Y119-T139 PolarHBondContact N-O 3.48Å; E120-T139 WeakPolarHBondContact OE1-CB 3.36Å; E120-T139 PolarHBondContact OE1-N 3.35Å; E120-T139 PolarHBondContact OE1-OG1 2.78Å; E120-T139 PolarHBondContact OE2-N 3.35Å
140	V	94.4	Very high	92	Very high	43 Å²	43	73.1 Å²	73.1	26%	0.261	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.9	179.5	-176.8	0	0	0	0	110.1	L116 F117 C118 V125 A130 H135 H138	L116-V140 HydrophobicContact CB-CG1 3.59Å; L116-V140 HydrophobicContact CD1-CG1 3.95Å; L116-V140 HydrophobicContact CG-CG1 4.28Å; F117-V140 VanDerWaalsContact O-CA 3.32Å; F117-V140 WeakPolarHBondContact O-CA 3.46Å; C118-V140 HydrophobicContact CB-CG2 4.21Å; V125-V140 HydrophobicContact CG2-CG1 3.91Å; A130-V140 HydrophobicContact CB-CB 4.42Å; A130-V140 HydrophobicContact CB-CG1 3.94Å; A130-V140 HydrophobicContact CB-CG2 4.38Å; H135-V140 HydrophobicContact CB-CG2 4.21Å; H138-V140 PolarHBondContact O-N 2.81Å
141	V	94.5	Very high	92.2	Very high	31 Å²	31	78.3 Å²	78.3	19%	0.188	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	163.9	179.3	-65.8	0	0	0	0	111	L116 F117 Y119 L143 A146	L116-V141 CarbonylContact C-O 3.52Å; L116-V141 VanDerWaalsContact CA-O 3.23Å; L116-V141 WeakPolarHBondContact CA-O 3.35Å; F117-V141 HydrophobicContact CB-CG2 4.4Å; F117-V141 PolarHBondContact N-O 3.28Å; F117-V141 PolarHBondContact O-N 2.95Å; Y119-V141 HydrophobicContact CD2-CG2 4.34Å; Y119-V141 HydrophobicContact CE2-CB 4.24Å; Y119-V141 HydrophobicContact CE2-CG1 3.68Å; Y119-V141 HydrophobicContact CE2-CG2 3.51Å; V141-L143 PolarHBondContact O-N 3.05Å; V141-A146 HydrophobicContact CG2-CB 3.96Å
142	P	95.7	Very high	92.5	Very high	62 Å²	62	76.5 Å²	76.5	40%	0.403	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	138.3	167.3	-26.3	36.3	0	0	0	112	D144 D145 A146	P142-D144 PolarHBondContact O-N 2.72Å; P142-D145 HydrophobicContact CB-CB 4.3Å; P142-D145 WeakPolarHBondContact CD-OD2 3.37Å; P142-D145 VanDerWaalsContact CG-OD2 3.32Å; P142-D145 WeakPolarHBondContact CG-OD2 3.24Å; P142-D145 WeakPolarHBondContact O-CB 3.49Å; P142-D145 PolarHBondContact O-N 3.34Å; P142-D145 VanDerWaalsContact O-N 3.12Å; P142-A146 PolarHBondContact O-N 2.5Å; P142-A146 VanDerWaalsContact O-N 3.11Å
143	L	92.6	Very high	92.7	Very high	49 Å²	49	79 Å²	79	26%	0.257	41%	0.405	S	S	.	.	H	α-helix	trans	-60.6	-34.9	-178.3	178.8	64	0	0	0	111.9	L114 S115 F117 A124 V141 A146 T147	L114-L143 VanDerWaalsContact O-CD2 3.29Å; L114-L143 WeakPolarHBondContact O-CD2 3.38Å; S115-L143 VanDerWaalsContact C-CB 3.49Å; S115-L143 VanDerWaalsContact O-CB 3.32Å; S115-L143 WeakPolarHBondContact O-CB 3.49Å; S115-L143 PolarHBondContact O-N 3Å; F117-L143 HydrophobicContact CB-CD1 4.11Å; F117-L143 HydrophobicContact CD2-CD1 4.31Å; A124-L143 HydrophobicContact CB-CD1 4.15Å; V141-L143 PolarHBondContact O-N 3.05Å; L143-A146 PolarHBondContact O-N 3.46Å; L143-T147 VanDerWaalsContact O-CB 3.26Å; L143-T147 WeakPolarHBondContact O-CB 3.44Å; L143-T147 PolarHBondContact O-N 3.38Å; L143-T147 PolarHBondContact O-OG1 3.06Å
144	D	90.8	Very high	93.2	Very high	117 Å²	117	76.5 Å²	76.5	63%	0.626	40%	0.397	S	S	*	.	H	α-helix	trans	-66.1	-39.1	177.3	-70.3	-30	0	0	0	111.8	P142 T147 Q148	P142-D144 PolarHBondContact O-N 2.72Å; D144-T147 PolarHBondContact O-N 2.84Å; D144-Q148 WeakPolarHBondContact O-CB 3.1Å; D144-Q148 PolarHBondContact O-N 2.98Å
145	D	93.6	Very high	93.7	Very high	98 Å²	98	79 Å²	79	52%	0.524	40%	0.403	S	S	.	.	H	α-helix	trans	-64	-48	176.4	-66	-14	0	0	0	110.2	P142 T147 Q148 E149	P142-D145 HydrophobicContact CB-CB 4.3Å; P142-D145 WeakPolarHBondContact CD-OD2 3.37Å; P142-D145 VanDerWaalsContact CG-OD2 3.32Å; P142-D145 WeakPolarHBondContact CG-OD2 3.24Å; P142-D145 WeakPolarHBondContact O-CB 3.49Å; P142-D145 PolarHBondContact O-N 3.34Å; P142-D145 VanDerWaalsContact O-N 3.12Å; D145-T147 PolarHBondContact O-N 2.82Å; D145-Q148 PolarHBondContact O-N 3Å; D145-E149 WeakPolarHBondContact O-CB 3.48Å; D145-E149 PolarHBondContact O-N 3.3Å
146	A	93.5	Very high	93.9	Very high	1 Å²	1	85.3 Å²	85.3	1%	0.008	43%	0.43	C	S	.	.	H	α-helix	trans	-60	-46.3	173.9	0	0	0	0	0	111.2	F117 V141 P142 L143 Q148 E149 Y150	F117-A146 HydrophobicContact CB-CB 3.58Å; F117-A146 HydrophobicContact CD1-CB 3.62Å; F117-A146 HydrophobicContact CD2-CB 4.47Å; F117-A146 HydrophobicContact CE1-CB 4.43Å; F117-A146 HydrophobicContact CG-CB 3.64Å; V141-A146 HydrophobicContact CG2-CB 3.96Å; P142-A146 PolarHBondContact O-N 2.5Å; P142-A146 VanDerWaalsContact O-N 3.11Å; L143-A146 PolarHBondContact O-N 3.46Å; A146-Q148 VanDerWaalsContact C-N 3.31Å; A146-Q148 PolarHBondContact O-N 2.85Å; A146-E149 WeakPolarHBondContact O-CB 3.46Å; A146-E149 PolarHBondContact O-N 2.84Å; A146-Y150 HydrophobicContact CB-CD2 4.5Å; A146-Y150 WeakPolarHBondContact O-CD2 3.32Å; A146-Y150 PolarHBondContact O-N 3.13Å
147	T	93.4	Very high	94.3	Very high	52 Å²	52	80.1 Å²	80.1	32%	0.319	42%	0.42	S	S	.	.	H	α-helix	trans	-57.9	-44.7	179.1	-64.8	0	0	0	0	111.5	L143 D144 D145 Y150 K151	L143-T147 VanDerWaalsContact O-CB 3.26Å; L143-T147 WeakPolarHBondContact O-CB 3.44Å; L143-T147 PolarHBondContact O-N 3.38Å; L143-T147 PolarHBondContact O-OG1 3.06Å; D144-T147 PolarHBondContact O-N 2.84Å; D145-T147 PolarHBondContact O-N 2.82Å; T147-Y150 PolarHBondContact O-N 2.92Å; T147-K151 HydrophobicContact CG2-CD 4.15Å; T147-K151 WeakPolarHBondContact O-CB 3.32Å; T147-K151 VanDerWaalsContact O-CG 3.27Å; T147-K151 WeakPolarHBondContact O-CG 3.37Å; T147-K151 PolarHBondContact O-N 3.36Å
148	Q	94.4	Very high	94.5	Very high	92 Å²	92	80 Å²	80	43%	0.43	41%	0.406	S	S	.	.	H	α-helix	trans	-65.1	-44.1	177.6	-176.9	55.6	30.2	0	0	111	D144 D145 A146 Y150 K151 E152	D144-Q148 WeakPolarHBondContact O-CB 3.1Å; D144-Q148 PolarHBondContact O-N 2.98Å; D145-Q148 PolarHBondContact O-N 3Å; A146-Q148 VanDerWaalsContact C-N 3.31Å; A146-Q148 PolarHBondContact O-N 2.85Å; Q148-Y150 PolarHBondContact O-N 3.33Å; Q148-K151 PolarHBondContact O-N 2.86Å; Q148-E152 PolarHBondContact NE2-OE1 3.07Å; Q148-E152 WeakPolarHBondContact O-CG 3.3Å; Q148-E152 PolarHBondContact O-N 3.15Å
149	E	93.6	Very high	94.4	Very high	61 Å²	61	83 Å²	83	29%	0.285	42%	0.42	S	S	.	.	H	α-helix	trans	-60.3	-46.3	175.4	-171.3	-164.8	163.2	0	0	112.1	Y119 D145 A146 E152 K153	Y119-E149 WeakPolarHBondContact CE1-OE2 3.37Å; Y119-E149 VanDerWaalsContact CZ-OE2 3.29Å; Y119-E149 PolarHBondContact OH-OE2 3.38Å; D145-E149 WeakPolarHBondContact O-CB 3.48Å; D145-E149 PolarHBondContact O-N 3.3Å; A146-E149 WeakPolarHBondContact O-CB 3.46Å; A146-E149 PolarHBondContact O-N 2.84Å; E149-E152 PolarHBondContact O-N 2.87Å; E149-K153 HydrophobicContact CG-CD 4.48Å; E149-K153 WeakPolarHBondContact O-CG 3.36Å; E149-K153 PolarHBondContact O-N 3.37Å; E149-K153 WeakPolarHBondContact OE1-CE 3.46Å; E149-K153 IonicContact OE1-NZ 2.69Å; E149-K153 PolarHBondContact OE1-NZ 2.93Å
150	Y	92.8	Very high	94.6	Very high	80 Å²	80	82.8 Å²	82.8	31%	0.314	42%	0.42	S	S	.	.	H	α-helix	trans	-66.7	-37.2	177.7	-82.4	-80.9	0	0	0	112.1	F117 Y119 A146 T147 Q148 E152 K153 L154	F117-Y150 HydrophobicContact CD1-CE2 4.43Å; F117-Y150 AromaticContact CE1-CE2 3.63Å; F117-Y150 HydrophobicContact CE1-CE2 3.63Å; F117-Y150 AromaticContact CZ-CE2 3.7Å; F117-Y150 HydrophobicContact CZ-CE2 3.7Å; Y119-Y150 HydrophobicContact CE1-CE2 4.47Å; A146-Y150 HydrophobicContact CB-CD2 4.5Å; A146-Y150 WeakPolarHBondContact O-CD2 3.32Å; A146-Y150 PolarHBondContact O-N 3.13Å; T147-Y150 PolarHBondContact O-N 2.92Å; Q148-Y150 PolarHBondContact O-N 3.33Å; Y150-E152 VanDerWaalsContact C-N 3.34Å; Y150-K153 HydrophobicContact CD1-CD 4.4Å; Y150-K153 PolarHBondContact O-N 3.31Å; Y150-L154 WeakPolarHBondContact O-CB 3.24Å; Y150-L154 VanDerWaalsContact O-CG 3.3Å; Y150-L154 WeakPolarHBondContact O-CG 3.36Å; Y150-L154 PolarHBondContact O-N 3.45Å
151	K	95.5	Very high	94.8	Very high	124 Å²	124	86.3 Å²	86.3	54%	0.539	44%	0.436	S	S	.	.	H	α-helix	trans	-59.8	-45.1	171.5	-79.8	173.8	-179.4	172	0	111.3	T147 Q148 L154 Q155	T147-K151 HydrophobicContact CG2-CD 4.15Å; T147-K151 WeakPolarHBondContact O-CB 3.32Å; T147-K151 VanDerWaalsContact O-CG 3.27Å; T147-K151 WeakPolarHBondContact O-CG 3.37Å; T147-K151 PolarHBondContact O-N 3.36Å; Q148-K151 PolarHBondContact O-N 2.86Å; K151-L154 PolarHBondContact O-N 3.26Å; K151-Q155 VanDerWaalsContact O-CB 3.32Å; K151-Q155 WeakPolarHBondContact O-CB 2.97Å; K151-Q155 PolarHBondContact O-N 3.18Å
152	E	95.4	Very high	95	Very high	79 Å²	79	90.4 Å²	90.4	37%	0.369	45%	0.453	S	S	.	.	H	α-helix	trans	-64.5	-41	176.2	-73.4	174.7	-162.4	0	0	112.1	Q148 E149 Y150 Q155 K156	Q148-E152 PolarHBondContact NE2-OE1 3.07Å; Q148-E152 WeakPolarHBondContact O-CG 3.3Å; Q148-E152 PolarHBondContact O-N 3.15Å; E149-E152 PolarHBondContact O-N 2.87Å; Y150-E152 VanDerWaalsContact C-N 3.34Å; E152-Q155 PolarHBondContact O-N 3.16Å; E152-K156 WeakPolarHBondContact O-CB 3.39Å; E152-K156 VanDerWaalsContact O-CG 3.24Å; E152-K156 WeakPolarHBondContact O-CG 3.4Å; E152-K156 PolarHBondContact O-N 2.73Å
153	K	95.3	Very high	95	Very high	86 Å²	86	92.6 Å²	92.6	37%	0.374	46%	0.458	S	S	.	.	H	α-helix	trans	-59.4	-46.9	173.2	-74.9	173.7	-178.4	168.1	0	111.3	E149 Y150 K156 C157	E149-K153 HydrophobicContact CG-CD 4.48Å; E149-K153 WeakPolarHBondContact O-CG 3.36Å; E149-K153 PolarHBondContact O-N 3.37Å; E149-K153 WeakPolarHBondContact OE1-CE 3.46Å; E149-K153 IonicContact OE1-NZ 2.69Å; E149-K153 PolarHBondContact OE1-NZ 2.93Å; Y150-K153 HydrophobicContact CD1-CD 4.4Å; Y150-K153 PolarHBondContact O-N 3.31Å; K153-K156 PolarHBondContact O-N 2.9Å; K153-C157 PolarHBondContact O-N 3.35Å; K153-C157 VanDerWaalsContact O-N 3.15Å; K153-C157 PolarHBondContact O-SG 3.48Å
154	L	95.6	Very high	95.3	Very high	120 Å²	120	95.3 Å²	95.3	63%	0.628	47%	0.468	S	S	*	.	H	α-helix	trans	-64.4	-41.3	177.5	-71.9	171.8	0	0	0	111.9	Y150 K151 C157 L158	Y150-L154 WeakPolarHBondContact O-CB 3.24Å; Y150-L154 VanDerWaalsContact O-CG 3.3Å; Y150-L154 WeakPolarHBondContact O-CG 3.36Å; Y150-L154 PolarHBondContact O-N 3.45Å; K151-L154 PolarHBondContact O-N 3.26Å; L154-C157 WeakPolarHBondContact O-CB 3.4Å; L154-C157 PolarHBondContact O-N 2.62Å; L154-C157 VanDerWaalsContact O-N 3.13Å; L154-L158 PolarHBondContact O-N 3.45Å
155	Q	95.7	Very high	95.7	Very high	135 Å²	135	95.2 Å²	95.2	63%	0.631	47%	0.467	S	S	*	.	H	α-helix	trans	-64.9	-40.5	176.8	-172.1	174.9	-1.7	0	0	111.6	K151 E152 C157 L158	K151-Q155 VanDerWaalsContact O-CB 3.32Å; K151-Q155 WeakPolarHBondContact O-CB 2.97Å; K151-Q155 PolarHBondContact O-N 3.18Å; E152-Q155 PolarHBondContact O-N 3.16Å; Q155-C157 PolarHBondContact O-N 2.74Å; Q155-L158 WeakPolarHBondContact O-CB 3.5Å; Q155-L158 PolarHBondContact O-N 3.16Å
156	K	95.3	Very high	95.9	Very high	148 Å²	148	97.2 Å²	97.2	64%	0.643	47%	0.473	S	S	*	.	H	α-helix	trans	-61.1	-29.2	172.8	-75	171	-174.2	171.8	0	112.5	E152 K153 L158 P160	E152-K156 WeakPolarHBondContact O-CB 3.39Å; E152-K156 VanDerWaalsContact O-CG 3.24Å; E152-K156 WeakPolarHBondContact O-CG 3.4Å; E152-K156 PolarHBondContact O-N 2.73Å; K153-K156 PolarHBondContact O-N 2.9Å; K156-L158 VanDerWaalsContact C-N 3.33Å; K156-P160 WeakPolarHBondContact O-CD 3.09Å
157	C	97	Very high	96.1	Very high	68 Å²	68	101.7 Å²	101.7	46%	0.459	49%	0.494	S	S	.	.	H	α-helix	trans	-74.3	-20	175	-66.6	0	0	0	0	113.7	K153 L154 Q155 P160 L161	K153-C157 PolarHBondContact O-N 3.35Å; K153-C157 VanDerWaalsContact O-N 3.15Å; K153-C157 PolarHBondContact O-SG 3.48Å; L154-C157 WeakPolarHBondContact O-CB 3.4Å; L154-C157 PolarHBondContact O-N 2.62Å; L154-C157 VanDerWaalsContact O-N 3.13Å; Q155-C157 PolarHBondContact O-N 2.74Å; C157-P160 WeakPolarHBondContact O-CD 3.41Å; C157-L161 WeakPolarHBondContact O-CD1 3.5Å; C157-L161 VanDerWaalsContact O-CG 3.26Å; C157-L161 WeakPolarHBondContact O-CG 3.32Å; C157-L161 PolarHBondContact O-N 3.3Å
158	L	96.5	Very high	96.4	Very high	95 Å²	95	104 Å²	104	50%	0.497	50%	0.503	S	S	.	.	H	α-helix	trans	-66.1	-46	-177.3	-70.5	174.6	0	0	0	112.2	L154 Q155 K156 L161 E162	L154-L158 PolarHBondContact O-N 3.45Å; Q155-L158 WeakPolarHBondContact O-CB 3.5Å; Q155-L158 PolarHBondContact O-N 3.16Å; K156-L158 VanDerWaalsContact C-N 3.33Å; L158-L161 WeakPolarHBondContact O-CB 3.45Å; L158-L161 PolarHBondContact O-N 3.33Å; L158-L161 VanDerWaalsContact O-N 3.13Å; L158-E162 WeakPolarHBondContact O-CG 3.48Å; L158-E162 PolarHBondContact O-N 2.97Å
159	E	93.8	Very high	96.5	Very high	126 Å²	126	103.8 Å²	103.8	59%	0.589	51%	0.508	S	S	*	.	H	α-helix	trans	-60.2	-49.1	-177.5	174.9	-176.9	-170.3	0	0	112.4	L161 E162 Q163	E159-L161 VanDerWaalsContact C-N 3.3Å; E159-L161 PolarHBondContact O-N 2.9Å; E159-E162 PolarHBondContact O-N 3.13Å; E159-Q163 WeakPolarHBondContact O-CG 3.26Å; E159-Q163 PolarHBondContact O-N 3.33Å; E159-Q163 PolarHBondContact OE1-NE2 3.26Å
160	P	97.8	Very high	96.8	Very high	72 Å²	72	110.1 Å²	110.1	47%	0.468	53%	0.529	S	S	.	.	H	α-helix	trans	-58.7	-36.7	173.3	-26.2	34.3	0	0	0	114.1	K156 C157 K164	K156-P160 WeakPolarHBondContact O-CD 3.09Å; C157-P160 WeakPolarHBondContact O-CD 3.41Å; P160-K164 WeakPolarHBondContact O-CB 3.48Å; P160-K164 PolarHBondContact O-N 3.24Å
161	L	98.3	Very high	97	Very high	117 Å²	117	109.4 Å²	109.4	61%	0.613	54%	0.535	S	S	*	.	H	α-helix	trans	-68.5	-42.1	178.5	-73.2	171.5	0	0	0	111.7	C157 L158 E159 K164 L165	C157-L161 WeakPolarHBondContact O-CD1 3.5Å; C157-L161 VanDerWaalsContact O-CG 3.26Å; C157-L161 WeakPolarHBondContact O-CG 3.32Å; C157-L161 PolarHBondContact O-N 3.3Å; L158-L161 WeakPolarHBondContact O-CB 3.45Å; L158-L161 PolarHBondContact O-N 3.33Å; L158-L161 VanDerWaalsContact O-N 3.13Å; E159-L161 VanDerWaalsContact C-N 3.3Å; E159-L161 PolarHBondContact O-N 2.9Å; L161-K164 PolarHBondContact O-N 3.43Å; L161-L165 PolarHBondContact O-N 3.28Å
162	E	97.7	Very high	97.1	Very high	117 Å²	117	109.6 Å²	109.6	55%	0.547	54%	0.536	S	S	.	.	H	α-helix	trans	-64.1	-42.8	175.3	-72	176.4	171	0	0	111.6	L158 E159 K164 L165 Q166	L158-E162 WeakPolarHBondContact O-CG 3.48Å; L158-E162 PolarHBondContact O-N 2.97Å; E159-E162 PolarHBondContact O-N 3.13Å; E162-K164 VanDerWaalsContact C-N 3.32Å; E162-K164 PolarHBondContact O-N 3.37Å; E162-L165 WeakPolarHBondContact O-CB 3.45Å; E162-L165 PolarHBondContact O-N 2.98Å; E162-Q166 WeakPolarHBondContact O-CG 3.42Å; E162-Q166 PolarHBondContact O-N 2.77Å; E162-Q166 VanDerWaalsContact O-N 3.07Å
163	Q	97.4	Very high	97.2	Very high	107 Å²	107	108.5 Å²	108.5	50%	0.5	54%	0.537	S	S	.	.	H	α-helix	trans	-59.4	-43.6	173.3	-71.3	176.3	9.6	0	0	111.3	E159 L165 Q166 E167	E159-Q163 WeakPolarHBondContact O-CG 3.26Å; E159-Q163 PolarHBondContact O-N 3.33Å; E159-Q163 PolarHBondContact OE1-NE2 3.26Å; Q163-L165 VanDerWaalsContact C-N 3.32Å; Q163-L165 PolarHBondContact O-N 2.96Å; Q163-Q166 PolarHBondContact O-N 2.92Å; Q163-E167 PolarHBondContact O-N 3.07Å
164	K	98.4	Very high	97.3	Very high	106 Å²	106	107.4 Å²	107.4	46%	0.461	54%	0.541	S	S	.	.	H	α-helix	trans	-64.9	-36.4	178	-157	73.5	-168.1	164.2	0	112.2	P160 L161 E162 E167 I168	P160-K164 WeakPolarHBondContact O-CB 3.48Å; P160-K164 PolarHBondContact O-N 3.24Å; L161-K164 PolarHBondContact O-N 3.43Å; E162-K164 VanDerWaalsContact C-N 3.32Å; E162-K164 PolarHBondContact O-N 3.37Å; K164-E167 WeakPolarHBondContact CD-OE2 3.34Å; K164-E167 WeakPolarHBondContact CE-OE2 3.29Å; K164-E167 VanDerWaalsContact NZ-CD 3.33Å; K164-E167 IonicContact NZ-OE1 2.74Å; K164-E167 PolarHBondContact NZ-OE1 3.44Å; K164-E167 IonicContact NZ-OE2 3.92Å; K164-E167 PolarHBondContact NZ-OE2 3.48Å; K164-E167 PolarHBondContact O-N 2.96Å; K164-I168 HydrophobicContact CG-CD1 4.27Å; K164-I168 WeakPolarHBondContact O-CB 3.46Å; K164-I168 VanDerWaalsContact O-CG1 3.29Å; K164-I168 WeakPolarHBondContact O-CG1 3.42Å; K164-I168 PolarHBondContact O-N 3.46Å
165	L	98.5	Very high	97.4	Very high	116 Å²	116	106 Å²	106	61%	0.607	53%	0.531	S	S	*	.	H	α-helix	trans	-63	-42.1	175	-169.5	72.5	0	0	0	111.9	L161 E162 Q163 T169	L161-L165 PolarHBondContact O-N 3.28Å; E162-L165 WeakPolarHBondContact O-CB 3.45Å; E162-L165 PolarHBondContact O-N 2.98Å; Q163-L165 VanDerWaalsContact C-N 3.32Å; Q163-L165 PolarHBondContact O-N 2.96Å; L165-T169 WeakPolarHBondContact O-CB 3.46Å; L165-T169 PolarHBondContact O-N 3Å; L165-T169 PolarHBondContact O-OG1 3.37Å
166	Q	97.9	Very high	97.5	Very high	139 Å²	139	105.5 Å²	105.5	65%	0.65	53%	0.528	S	S	*	.	H	α-helix	trans	-65.5	-43.5	175	-67.7	179.5	12.3	0	0	111.8	E162 Q163 I168 T169 R170	E162-Q166 WeakPolarHBondContact O-CG 3.42Å; E162-Q166 PolarHBondContact O-N 2.77Å; E162-Q166 VanDerWaalsContact O-N 3.07Å; Q163-Q166 PolarHBondContact O-N 2.92Å; Q166-I168 PolarHBondContact O-N 3.35Å; Q166-T169 PolarHBondContact O-N 3.43Å; Q166-R170 PolarHBondContact O-N 2.73Å
167	E	98.3	Very high	97.6	Very high	96 Å²	96	104.6 Å²	104.6	45%	0.449	53%	0.525	S	S	.	.	H	α-helix	trans	-59.4	-46.8	177	-169.5	-168.3	157.4	0	0	111.4	Q163 K164 T169 R170 C171	Q163-E167 PolarHBondContact O-N 3.07Å; K164-E167 WeakPolarHBondContact CD-OE2 3.34Å; K164-E167 WeakPolarHBondContact CE-OE2 3.29Å; K164-E167 VanDerWaalsContact NZ-CD 3.33Å; K164-E167 IonicContact NZ-OE1 2.74Å; K164-E167 PolarHBondContact NZ-OE1 3.44Å; K164-E167 IonicContact NZ-OE2 3.92Å; K164-E167 PolarHBondContact NZ-OE2 3.48Å; K164-E167 PolarHBondContact O-N 2.96Å; E167-T169 VanDerWaalsContact C-N 3.33Å; E167-T169 PolarHBondContact O-N 2.95Å; E167-R170 PolarHBondContact O-N 3.28Å; E167-C171 WeakPolarHBondContact O-CB 3.48Å; E167-C171 PolarHBondContact O-N 3.23Å
168	I	98.6	Very high	97.6	Very high	100 Å²	100	105.9 Å²	105.9	51%	0.513	52%	0.522	S	S	.	.	H	α-helix	trans	-62.2	-41.2	176.8	-71.3	168.8	0	0	0	110.8	K164 Q166 C171 K172	K164-I168 HydrophobicContact CG-CD1 4.27Å; K164-I168 WeakPolarHBondContact O-CB 3.46Å; K164-I168 VanDerWaalsContact O-CG1 3.29Å; K164-I168 WeakPolarHBondContact O-CG1 3.42Å; K164-I168 PolarHBondContact O-N 3.46Å; Q166-I168 PolarHBondContact O-N 3.35Å; I168-C171 PolarHBondContact O-N 3.33Å; I168-K172 WeakPolarHBondContact O-CB 3.42Å; I168-K172 PolarHBondContact O-N 3.03Å
169	T	98.4	Very high	97.7	Very high	88 Å²	88	105.2 Å²	105.2	54%	0.54	52%	0.524	S	S	.	.	H	α-helix	trans	-64.1	-44.3	178.6	-58.4	0	0	0	0	111.4	L165 Q166 E167 K172 S173	L165-T169 WeakPolarHBondContact O-CB 3.46Å; L165-T169 PolarHBondContact O-N 3Å; L165-T169 PolarHBondContact O-OG1 3.37Å; Q166-T169 PolarHBondContact O-N 3.43Å; E167-T169 VanDerWaalsContact C-N 3.33Å; E167-T169 PolarHBondContact O-N 2.95Å; T169-K172 PolarHBondContact O-N 2.89Å; T169-S173 PolarHBondContact O-N 3.03Å
170	R	97.9	Very high	97.9	Very high	193 Å²	193	101 Å²	101	73%	0.728	51%	0.514	S	S	*	.	H	α-helix	trans	-62.1	-44.6	174.9	-172	-176.8	75	177.7	1.7	111.3	Q166 E167 S173 S174	Q166-R170 PolarHBondContact O-N 2.73Å; E167-R170 PolarHBondContact O-N 3.28Å; R170-S173 PolarHBondContact O-N 3.09Å; R170-S174 PolarHBondContact O-N 2.86Å; R170-S174 VanDerWaalsContact O-N 3.09Å
171	C	98.1	Very high	97.8	Very high	65 Å²	65	102.5 Å²	102.5	44%	0.439	52%	0.515	S	S	.	.	H	α-helix	trans	-60.1	-50.8	177.5	-168.5	0	0	0	0	110.6	E167 I168 S173 S174 E175	E167-C171 WeakPolarHBondContact O-CB 3.48Å; E167-C171 PolarHBondContact O-N 3.23Å; I168-C171 PolarHBondContact O-N 3.33Å; C171-S173 PolarHBondContact O-N 2.82Å; C171-S174 WeakPolarHBondContact O-CA 3.32Å; C171-S174 WeakPolarHBondContact O-CB 3.47Å; C171-S174 PolarHBondContact O-N 3.32Å; C171-E175 WeakPolarHBondContact O-CG 2.93Å; C171-E175 PolarHBondContact O-N 3.42Å
172	K	98.2	Very high	97.8	Very high	129 Å²	129	102 Å²	102	56%	0.561	51%	0.512	S	S	*	.	H	α-helix	trans	-53.3	-48.5	176.3	-179.6	179	172.2	-179.3	0	112.4	I168 T169 S174 E175 E176	I168-K172 WeakPolarHBondContact O-CB 3.42Å; I168-K172 PolarHBondContact O-N 3.03Å; T169-K172 PolarHBondContact O-N 2.89Å; K172-S174 VanDerWaalsContact C-N 3.28Å; K172-S174 PolarHBondContact O-N 2.92Å; K172-E175 PolarHBondContact O-N 3.24Å; K172-E176 WeakPolarHBondContact CE-OE1 3.38Å; K172-E176 HydrophobicContact CG-CG 4.45Å; K172-E176 IonicContact NZ-OE1 3.94Å; K172-E176 WeakPolarHBondContact O-CB 3.33Å; K172-E176 WeakPolarHBondContact O-CG 3.5Å; K172-E176 PolarHBondContact O-N 3.35Å
173	S	97.6	Very high	97.8	Very high	55 Å²	55	104.3 Å²	104.3	39%	0.385	52%	0.52	S	S	.	.	H	α-helix	trans	-62.8	-34.4	178.3	-174.7	0	0	0	0	113.1	T169 R170 C171 K177	T169-S173 PolarHBondContact O-N 3.03Å; R170-S173 PolarHBondContact O-N 3.09Å; C171-S173 PolarHBondContact O-N 2.82Å; S173-K177 WeakPolarHBondContact O-CG 3.33Å
174	S	96.8	Very high	97.8	Very high	64 Å²	64	107.6 Å²	107.6	45%	0.448	53%	0.528	S	S	.	.	H	α-helix	trans	-68.2	-47.8	174	-171.7	0	0	0	0	111.2	R170 C171 K172 E176 K177 K178	R170-S174 PolarHBondContact O-N 2.86Å; R170-S174 VanDerWaalsContact O-N 3.09Å; C171-S174 WeakPolarHBondContact O-CA 3.32Å; C171-S174 WeakPolarHBondContact O-CB 3.47Å; C171-S174 PolarHBondContact O-N 3.32Å; K172-S174 VanDerWaalsContact C-N 3.28Å; K172-S174 PolarHBondContact O-N 2.92Å; S174-E176 VanDerWaalsContact C-N 3.32Å; S174-E176 PolarHBondContact O-N 3.16Å; S174-K177 PolarHBondContact O-N 3.22Å; S174-K177 VanDerWaalsContact O-N 3.16Å; S174-K178 PolarHBondContact O-N 2.75Å
175	E	97.7	Very high	97.7	Very high	90 Å²	90	108.2 Å²	108.2	42%	0.421	54%	0.536	S	S	.	.	H	α-helix	trans	-59.8	-40.2	177.6	-65.9	-53.6	139.8	0	0	112.2	C171 K172 K177 K178 P179	C171-E175 WeakPolarHBondContact O-CG 2.93Å; C171-E175 PolarHBondContact O-N 3.42Å; K172-E175 PolarHBondContact O-N 3.24Å; E175-K177 PolarHBondContact O-N 3.39Å; E175-K178 PolarHBondContact O-N 2.61Å; E175-K178 WeakPolarHBondContact OE1-CE 3.21Å; E175-K178 IonicContact OE1-NZ 3.97Å; E175-K178 PolarHBondContact OE1-NZ 3.49Å; E175-K178 WeakPolarHBondContact OE2-CD 3.28Å; E175-K178 VanDerWaalsContact OE2-CE 3.28Å; E175-K178 WeakPolarHBondContact OE2-CE 3.32Å; E175-K178 IonicContact OE2-NZ 3.04Å; E175-K178 PolarHBondContact OE2-NZ 3.2Å; E175-P179 WeakPolarHBondContact O-CD 3.41Å
176	E	97.8	Very high	97.6	Very high	124 Å²	124	106.7 Å²	106.7	58%	0.579	53%	0.532	S	S	*	.	H	α-helix	trans	-64.7	-21.2	178.8	-75.1	172.3	169.2	0	0	113.6	K172 S174	K172-E176 WeakPolarHBondContact CE-OE1 3.38Å; K172-E176 HydrophobicContact CG-CG 4.45Å; K172-E176 IonicContact NZ-OE1 3.94Å; K172-E176 WeakPolarHBondContact O-CB 3.33Å; K172-E176 WeakPolarHBondContact O-CG 3.5Å; K172-E176 PolarHBondContact O-N 3.35Å; S174-E176 VanDerWaalsContact C-N 3.32Å; S174-E176 PolarHBondContact O-N 3.16Å
177	K	96.4	Very high	97.6	Very high	130 Å²	130	104.2 Å²	104.2	57%	0.565	52%	0.52	S	S	*	.	H	α-helix	trans	-83.4	-29.5	176	-68.2	172.4	-174.4	177.6	0	113	S173 S174 E175 P179 G180 E181	S173-K177 WeakPolarHBondContact O-CG 3.33Å; S174-K177 PolarHBondContact O-N 3.22Å; S174-K177 VanDerWaalsContact O-N 3.16Å; E175-K177 PolarHBondContact O-N 3.39Å; K177-P179 VanDerWaalsContact C-CD 3.48Å; K177-G180 PolarHBondContact O-N 3.22Å; K177-E181 PolarHBondContact O-N 3.06Å
178	K	98	Very high	97.4	Very high	94 Å²	94	102.8 Å²	102.8	41%	0.409	52%	0.521	S	S	.	.	H	α-helix	trans	-55.6	-38.8	-175.6	-66.4	-174.4	-173.1	168.7	0	114.3	S174 E175 G180 E181 L182	S174-K178 PolarHBondContact O-N 2.75Å; E175-K178 PolarHBondContact O-N 2.61Å; E175-K178 WeakPolarHBondContact OE1-CE 3.21Å; E175-K178 IonicContact OE1-NZ 3.97Å; E175-K178 PolarHBondContact OE1-NZ 3.49Å; E175-K178 WeakPolarHBondContact OE2-CD 3.28Å; E175-K178 VanDerWaalsContact OE2-CE 3.28Å; E175-K178 WeakPolarHBondContact OE2-CE 3.32Å; E175-K178 IonicContact OE2-NZ 3.04Å; E175-K178 PolarHBondContact OE2-NZ 3.2Å; K178-G180 VanDerWaalsContact C-N 3.29Å; K178-G180 PolarHBondContact O-N 3.25Å; K178-E181 PolarHBondContact O-N 2.82Å; K178-L182 WeakPolarHBondContact O-CB 3.35Å; K178-L182 PolarHBondContact O-N 3Å
179	P	98.1	Very high	97	Very high	81 Å²	81	104.1 Å²	104.1	53%	0.526	52%	0.519	S	S	.	.	H	α-helix	trans	-58.5	-38.1	176.1	-27.5	35.4	0	0	0	113.8	E175 K177 K183	E175-P179 WeakPolarHBondContact O-CD 3.41Å; K177-P179 VanDerWaalsContact C-CD 3.48Å; P179-K183 PolarHBondContact O-N 3.24Å
180	G	97.2	Very high	96.9	Very high	38 Å²	38	107.7 Å²	107.7	39%	0.392	52%	0.523	S	S	.	.	H	α-helix	trans	-71.4	-37.3	177.4	0	0	0	0	0	112.6	K177 K178 R184	K177-G180 PolarHBondContact O-N 3.22Å; K178-G180 VanDerWaalsContact C-N 3.29Å; K178-G180 PolarHBondContact O-N 3.25Å; G180-R184 PolarHBondContact O-N 3.32Å
181	E	96.7	Very high	96.8	Very high	103 Å²	103	102.5 Å²	102.5	48%	0.481	51%	0.507	S	S	.	.	H	α-helix	trans	-65	-46.1	172.5	-68	173.9	-169.9	0	0	111.7	K177 K178 K183 R184 L185	K177-E181 PolarHBondContact O-N 3.06Å; K178-E181 PolarHBondContact O-N 2.82Å; E181-K183 PolarHBondContact O-N 2.98Å; E181-R184 PolarHBondContact O-N 2.97Å; E181-L185 PolarHBondContact O-N 3.45Å
182	L	97.6	Very high	96.2	Very high	106 Å²	106	102.7 Å²	102.7	56%	0.555	50%	0.501	S	S	*	.	H	α-helix	trans	-60.2	-44.5	176.8	179.9	60.8	0	0	0	111.5	K178 R184 L185 V186	K178-L182 WeakPolarHBondContact O-CB 3.35Å; K178-L182 PolarHBondContact O-N 3Å; L182-R184 VanDerWaalsContact C-N 3.32Å; L182-R184 PolarHBondContact O-N 3.48Å; L182-L185 PolarHBondContact O-N 2.85Å; L182-V186 HydrophobicContact CD1-CG2 3.91Å; L182-V186 HydrophobicContact CG-CG2 4.25Å; L182-V186 WeakPolarHBondContact O-CB 3.39Å; L182-V186 VanDerWaalsContact O-CG2 3.28Å; L182-V186 WeakPolarHBondContact O-CG2 3.37Å; L182-V186 PolarHBondContact O-N 2.95Å
183	K	98.4	Very high	95.4	Very high	166 Å²	166	100 Å²	100	72%	0.722	49%	0.492	S	S	*	.	H	α-helix	trans	-56.2	-45.1	175.2	-98.9	-179.5	175.3	176.5	0	112.3	P179 E181 E187	P179-K183 PolarHBondContact O-N 3.24Å; E181-K183 PolarHBondContact O-N 2.98Å; K183-E187 WeakPolarHBondContact O-CB 3.28Å; K183-E187 PolarHBondContact O-N 3.23Å
184	R	97.9	Very high	95.3	Very high	176 Å²	176	102.6 Å²	102.6	66%	0.664	50%	0.501	S	S	*	.	H	α-helix	trans	-65.3	-42	178	-73	-174.7	-71.7	165	-1.7	112	G180 E181 L182 E187 S188	G180-R184 PolarHBondContact O-N 3.32Å; E181-R184 PolarHBondContact O-N 2.97Å; L182-R184 VanDerWaalsContact C-N 3.32Å; L182-R184 PolarHBondContact O-N 3.48Å; R184-E187 PolarHBondContact O-N 3.2Å; R184-S188 WeakPolarHBondContact O-CB 3.42Å; R184-S188 PolarHBondContact O-N 3.38Å
185	L	96.1	Very high	94.8	Very high	120 Å²	120	105.8 Å²	105.8	63%	0.628	50%	0.503	S	S	*	.	H	α-helix	trans	-64.4	-45.1	177.9	-176.7	62.6	0	0	0	111.7	E181 L182 S188 R189	E181-L185 PolarHBondContact O-N 3.45Å; L182-L185 PolarHBondContact O-N 2.85Å; L185-S188 PolarHBondContact O-N 3.37Å; L185-R189 WeakPolarHBondContact O-CB 3.43Å; L185-R189 PolarHBondContact O-N 3.46Å
186	V	95.4	Very high	93.9	Very high	84 Å²	84	105.8 Å²	105.8	51%	0.509	50%	0.503	S	S	.	.	H	α-helix	trans	-62.9	-44.1	177.5	169.7	0	0	0	0	111	L182 R189 R190	L182-V186 HydrophobicContact CD1-CG2 3.91Å; L182-V186 HydrophobicContact CG-CG2 4.25Å; L182-V186 WeakPolarHBondContact O-CB 3.39Å; L182-V186 VanDerWaalsContact O-CG2 3.28Å; L182-V186 WeakPolarHBondContact O-CG2 3.37Å; L182-V186 PolarHBondContact O-N 2.95Å; V186-R189 PolarHBondContact O-N 3.21Å; V186-R190 WeakPolarHBondContact O-CB 3.34Å; V186-R190 PolarHBondContact O-N 2.87Å
187	E	98.1	Very high	93.1	Very high	87 Å²	87	105.1 Å²	105.1	41%	0.407	50%	0.499	S	S	.	.	H	α-helix	trans	-65.6	-44.2	178.7	-178	54.7	-153.3	0	0	111.9	K183 R184 R189 R190 Q191	K183-E187 WeakPolarHBondContact O-CB 3.28Å; K183-E187 PolarHBondContact O-N 3.23Å; R184-E187 PolarHBondContact O-N 3.2Å; E187-R189 VanDerWaalsContact C-N 3.3Å; E187-R189 PolarHBondContact O-N 2.95Å; E187-R190 WeakPolarHBondContact O-CB 3.4Å; E187-R190 PolarHBondContact O-N 2.96Å; E187-Q191 WeakPolarHBondContact O-CG 3.32Å; E187-Q191 PolarHBondContact O-N 3.42Å; E187-Q191 WeakPolarHBondContact OE1-CG 3.49Å; E187-Q191 PolarHBondContact OE1-NE2 3.46Å
188	S	94.6	Very high	92.7	Very high	66 Å²	66	105.5 Å²	105.5	46%	0.462	50%	0.502	S	S	.	.	H	α-helix	trans	-56	-45.9	173.4	-179.9	0	0	0	0	111.5	R184 L185 Q191 Q192	R184-S188 WeakPolarHBondContact O-CB 3.42Å; R184-S188 PolarHBondContact O-N 3.38Å; L185-S188 PolarHBondContact O-N 3.37Å; S188-Q191 PolarHBondContact O-N 3.31Å; S188-Q192 WeakPolarHBondContact O-CB 3.43Å; S188-Q192 PolarHBondContact O-N 2.96Å
189	R	90	Very high	91.8	Very high	127 Å²	127	103.5 Å²	103.5	48%	0.479	50%	0.495	S	S	.	.	H	α-helix	trans	-67.8	-38.3	178.5	-170.9	60.5	177.1	167.8	5.3	112.4	L185 V186 E187 Q192 I193	L185-R189 WeakPolarHBondContact O-CB 3.43Å; L185-R189 PolarHBondContact O-N 3.46Å; V186-R189 PolarHBondContact O-N 3.21Å; E187-R189 VanDerWaalsContact C-N 3.3Å; E187-R189 PolarHBondContact O-N 2.95Å; R189-Q192 VanDerWaalsContact NH1-NE2 3.16Å; R189-Q192 WeakPolarHBondContact O-CB 3.36Å; R189-Q192 PolarHBondContact O-N 3.3Å; R189-I193 HydrophobicContact CG-CD1 4.28Å; R189-I193 WeakPolarHBondContact O-CG1 3.47Å; R189-I193 PolarHBondContact O-N 3.04Å
190	R	96.2	Very high	90.7	Very high	163 Å²	163	101.4 Å²	101.4	62%	0.615	48%	0.479	S	S	*	.	H	α-helix	trans	-59.4	-48.6	174.8	-175.2	-178.3	-170.8	133	3.8	110.9	V186 E187 Q192 I193 L194	V186-R190 WeakPolarHBondContact O-CB 3.34Å; V186-R190 PolarHBondContact O-N 2.87Å; E187-R190 WeakPolarHBondContact O-CB 3.4Å; E187-R190 PolarHBondContact O-N 2.96Å; R190-Q192 VanDerWaalsContact C-N 3.32Å; R190-Q192 PolarHBondContact O-N 3.01Å; R190-I193 PolarHBondContact O-N 2.85Å; R190-L194 WeakPolarHBondContact O-CG 3.37Å; R190-L194 PolarHBondContact O-N 2.81Å
191	Q	95.4	Very high	90	Very high	85 Å²	85	105.1 Å²	105.1	40%	0.397	49%	0.486	S	S	.	.	H	α-helix	trans	-65.2	-37	177.9	-66.9	178.6	5.2	0	0	112.1	E187 S188 L194 R195	E187-Q191 WeakPolarHBondContact O-CG 3.32Å; E187-Q191 PolarHBondContact O-N 3.42Å; E187-Q191 WeakPolarHBondContact OE1-CG 3.49Å; E187-Q191 PolarHBondContact OE1-NE2 3.46Å; S188-Q191 PolarHBondContact O-N 3.31Å; Q191-L194 PolarHBondContact O-N 3.3Å; Q191-R195 WeakPolarHBondContact O-CG 3.37Å; Q191-R195 PolarHBondContact O-N 2.97Å
192	Q	86.2	Confident	89.4	Confident	68 Å²	68	105.3 Å²	105.3	32%	0.318	48%	0.482	S	S	.	.	H	α-helix	trans	-60	-48.9	173.5	178.9	177.4	10	0	0	111.6	S188 R189 R190 L194 R195 E196	S188-Q192 WeakPolarHBondContact O-CB 3.43Å; S188-Q192 PolarHBondContact O-N 2.96Å; R189-Q192 VanDerWaalsContact NH1-NE2 3.16Å; R189-Q192 WeakPolarHBondContact O-CB 3.36Å; R189-Q192 PolarHBondContact O-N 3.3Å; R190-Q192 VanDerWaalsContact C-N 3.32Å; R190-Q192 PolarHBondContact O-N 3.01Å; Q192-L194 VanDerWaalsContact C-N 3.31Å; Q192-L194 PolarHBondContact O-N 3.47Å; Q192-R195 PolarHBondContact O-N 3.26Å; Q192-E196 HydrophobicContact CG-CG 4.39Å; Q192-E196 VanDerWaalsContact CG-OE1 3.25Å; Q192-E196 WeakPolarHBondContact CG-OE1 3.25Å; Q192-E196 PolarHBondContact NE2-OE1 3.4Å; Q192-E196 WeakPolarHBondContact O-CG 3.48Å; Q192-E196 PolarHBondContact O-N 3.34Å
193	I	81.3	Confident	88.4	Confident	72 Å²	72	106.1 Å²	106.1	37%	0.369	48%	0.478	S	S	.	.	H	α-helix	trans	-56.9	-47.6	177.5	-68.9	164.4	0	0	0	110	R189 R190 R195 E196 F197	R189-I193 HydrophobicContact CG-CD1 4.28Å; R189-I193 WeakPolarHBondContact O-CG1 3.47Å; R189-I193 PolarHBondContact O-N 3.04Å; R190-I193 PolarHBondContact O-N 2.85Å; I193-R195 PolarHBondContact O-N 2.95Å; I193-E196 PolarHBondContact O-N 3.4Å; I193-F197 HydrophobicContact CG2-CD2 3.92Å; I193-F197 HydrophobicContact CG2-CE2 4.09Å; I193-F197 WeakPolarHBondContact O-CD2 3.41Å; I193-F197 PolarHBondContact O-N 3.02Å
194	L	94.4	Very high	87.3	Confident	110 Å²	110	101.4 Å²	101.4	58%	0.576	46%	0.46	S	S	*	.	H	α-helix	trans	-59.1	-46.5	179.5	-69.5	173	0	0	0	112.3	R190 Q191 Q192 E196 F197 E198	R190-L194 WeakPolarHBondContact O-CG 3.37Å; R190-L194 PolarHBondContact O-N 2.81Å; Q191-L194 PolarHBondContact O-N 3.3Å; Q192-L194 VanDerWaalsContact C-N 3.31Å; Q192-L194 PolarHBondContact O-N 3.47Å; L194-E196 PolarHBondContact O-N 3.06Å; L194-F197 PolarHBondContact O-N 3.48Å; L194-E198 WeakPolarHBondContact O-CB 3.36Å; L194-E198 PolarHBondContact O-N 3.47Å
195	R	86.9	Confident	86.5	Confident	131 Å²	131	97 Å²	97	49%	0.494	45%	0.45	S	S	.	.	H	α-helix	trans	-63	-40.1	177.3	-72	-172.8	-62.6	-96.8	0.2	112.7	Q191 Q192 I193 F197 E198 E199	Q191-R195 WeakPolarHBondContact O-CG 3.37Å; Q191-R195 PolarHBondContact O-N 2.97Å; Q192-R195 PolarHBondContact O-N 3.26Å; I193-R195 PolarHBondContact O-N 2.95Å; R195-F197 VanDerWaalsContact C-N 3.32Å; R195-F197 PolarHBondContact O-N 3.43Å; R195-E198 PolarHBondContact O-N 3.28Å; R195-E199 WeakPolarHBondContact O-CB 3.36Å; R195-E199 PolarHBondContact O-N 2.85Å
196	E	78.3	Confident	85.8	Confident	90 Å²	90	95.6 Å²	95.6	42%	0.421	44%	0.44	S	S	.	.	H	α-helix	trans	-63.5	-39.9	178.8	-76.1	174.8	-169.2	0	0	111.8	Q192 I193 L194 L200	Q192-E196 HydrophobicContact CG-CG 4.39Å; Q192-E196 VanDerWaalsContact CG-OE1 3.25Å; Q192-E196 WeakPolarHBondContact CG-OE1 3.25Å; Q192-E196 PolarHBondContact NE2-OE1 3.4Å; Q192-E196 WeakPolarHBondContact O-CG 3.48Å; Q192-E196 PolarHBondContact O-N 3.34Å; I193-E196 PolarHBondContact O-N 3.4Å; L194-E196 PolarHBondContact O-N 3.06Å; E196-L200 PolarHBondContact O-N 3.14Å; E196-L200 VanDerWaalsContact O-N 3.14Å
197	F	82.6	Confident	84.6	Confident	111 Å²	111	94.5 Å²	94.5	49%	0.487	43%	0.429	S	S	.	.	H	α-helix	trans	-74.5	-40.1	176	-88.4	-90.2	0	0	0	112.8	I193 L194 R195 E199 L200 H201	I193-F197 HydrophobicContact CG2-CD2 3.92Å; I193-F197 HydrophobicContact CG2-CE2 4.09Å; I193-F197 WeakPolarHBondContact O-CD2 3.41Å; I193-F197 PolarHBondContact O-N 3.02Å; L194-F197 PolarHBondContact O-N 3.48Å; R195-F197 VanDerWaalsContact C-N 3.32Å; R195-F197 PolarHBondContact O-N 3.43Å; F197-E199 VanDerWaalsContact C-N 3.3Å; F197-E199 PolarHBondContact O-N 3.02Å; F197-L200 WeakPolarHBondContact O-CB 3.46Å; F197-L200 PolarHBondContact O-N 3.23Å; F197-L200 VanDerWaalsContact O-N 3.09Å; F197-H201 PolarHBondContact O-CD2 3.27Å; F197-H201 PolarHBondContact O-N 3.09Å
198	E	87	Confident	83.7	Confident	137 Å²	137	95.4 Å²	95.4	64%	0.64	43%	0.433	S	S	*	.	H	α-helix	trans	-56.7	-46.7	173.8	-177.2	177.8	-173.4	0	0	111	L194 R195 L200 H201 R202	L194-E198 WeakPolarHBondContact O-CB 3.36Å; L194-E198 PolarHBondContact O-N 3.47Å; R195-E198 PolarHBondContact O-N 3.28Å; E198-L200 VanDerWaalsContact C-N 3.31Å; E198-L200 PolarHBondContact O-N 3.42Å; E198-H201 PolarHBondContact O-N 2.75Å; E198-R202 WeakPolarHBondContact O-CB 3.36Å; E198-R202 PolarHBondContact O-N 2.82Å
199	E	79.9	Confident	83.3	Confident	52 Å²	52	96.5 Å²	96.5	24%	0.243	43%	0.431	C	S	.	.	H	α-helix	trans	-64.1	-34.8	175.5	175.8	63.4	-172.6	0	0	112.7	R195 F197 R202 R203	R195-E199 WeakPolarHBondContact O-CB 3.36Å; R195-E199 PolarHBondContact O-N 2.85Å; F197-E199 VanDerWaalsContact C-N 3.3Å; F197-E199 PolarHBondContact O-N 3.02Å; E199-R202 IonicContact OE1-CZ 2.73Å; E199-R202 IonicContact OE1-NH2 3.28Å; E199-R202 PolarHBondContact OE1-NH2 2.74Å; E199-R202 IonicContact OE2-CZ 3.91Å; E199-R202 VanDerWaalsContact OE2-CZ 3.29Å; E199-R202 IonicContact OE2-NE 3.98Å; E199-R202 PolarHBondContact OE2-NE 2.71Å; E199-R202 IonicContact OE2-NH2 2.73Å; E199-R202 PolarHBondContact OE2-NH2 3.12Å; E199-R203 WeakPolarHBondContact O-CG 3.49Å; E199-R203 PolarHBondContact O-N 3.4Å; E199-R203 IonicContact OE1-CZ 2.75Å; E199-R203 IonicContact OE1-NE 3.54Å; E199-R203 PolarHBondContact OE1-NE 3.09Å; E199-R203 IonicContact OE1-NH2 2.61Å; E199-R203 PolarHBondContact OE1-NH2 2.79Å
200	L	75.1	Confident	82.8	Confident	37 Å²	37	94.7 Å²	94.7	19%	0.194	43%	0.434	C	S	.	.	H	α-helix	trans	-68.1	-45	174.8	-177.7	65.6	0	0	0	111	E196 F197 E198 R203 L204 K330	E196-L200 PolarHBondContact O-N 3.14Å; E196-L200 VanDerWaalsContact O-N 3.14Å; F197-L200 WeakPolarHBondContact O-CB 3.46Å; F197-L200 PolarHBondContact O-N 3.23Å; F197-L200 VanDerWaalsContact O-N 3.09Å; E198-L200 VanDerWaalsContact C-N 3.31Å; E198-L200 PolarHBondContact O-N 3.42Å; L200-R203 PolarHBondContact O-N 2.85Å; L200-L204 HydrophobicContact CD1-CD1 4.4Å; L200-L204 HydrophobicContact CD1-CG 4.45Å; L200-L204 HydrophobicContact CG-CD1 4.03Å; L200-L204 HydrophobicContact CG-CG 4.49Å; L200-L204 WeakPolarHBondContact O-CB 3.33Å; L200-L204 VanDerWaalsContact O-CG 3.28Å; L200-L204 WeakPolarHBondContact O-CG 3.39Å; L200-L204 PolarHBondContact O-N 3.4Å; L200-K330 HydrophobicContact CD1-CD 4.45Å
201	H	82.5	Confident	81.8	Confident	116 Å²	116	90.4 Å²	90.4	54%	0.537	42%	0.423	S	S	.	.	H	α-helix	trans	-60.1	-46.2	176.4	-74.8	-56.7	0	0	0	111.7	F197 E198 R203 L204 D205	F197-H201 PolarHBondContact O-CD2 3.27Å; F197-H201 PolarHBondContact O-N 3.09Å; E198-H201 PolarHBondContact O-N 2.75Å; H201-R203 PolarHBondContact O-N 3.09Å; H201-L204 PolarHBondContact O-N 2.8Å; H201-D205 PolarHBondContact O-N 2.9Å
202	R	82.7	Confident	81.4	Confident	108 Å²	108	90.1 Å²	90.1	41%	0.408	42%	0.424	S	S	.	.	H	α-helix	trans	-56.7	-47.6	177.3	-173	-177.4	64.9	78.6	-1.1	112.1	E198 E199 D205 E206	E198-R202 WeakPolarHBondContact O-CB 3.36Å; E198-R202 PolarHBondContact O-N 2.82Å; E199-R202 IonicContact OE1-CZ 2.73Å; E199-R202 IonicContact OE1-NH2 3.28Å; E199-R202 PolarHBondContact OE1-NH2 2.74Å; E199-R202 IonicContact OE2-CZ 3.91Å; E199-R202 VanDerWaalsContact OE2-CZ 3.29Å; E199-R202 IonicContact OE2-NE 3.98Å; E199-R202 PolarHBondContact OE2-NE 2.71Å; E199-R202 IonicContact OE2-NH2 2.73Å; E199-R202 PolarHBondContact OE2-NH2 3.12Å; R202-D205 PolarHBondContact O-N 2.82Å; R202-E206 IonicContact CZ-OE1 3.16Å; R202-E206 IonicContact NH1-OE1 3.23Å; R202-E206 PolarHBondContact NH1-OE1 2.62Å; R202-E206 IonicContact NH1-OE2 3.67Å; R202-E206 PolarHBondContact NH1-OE2 3.24Å; R202-E206 VanDerWaalsContact NH1-OE2 3.12Å; R202-E206 WeakPolarHBondContact O-CG 3.23Å; R202-E206 PolarHBondContact O-N 2.8Å
203	R	77	Confident	81.5	Confident	123 Å²	123	89.5 Å²	89.5	46%	0.464	43%	0.427	S	S	.	.	H	α-helix	trans	-66	-39.1	178.1	-71.5	179.1	-174.4	-106.2	-5.3	113.1	E199 L200 H201 D205 E206 E207	E199-R203 WeakPolarHBondContact O-CG 3.49Å; E199-R203 PolarHBondContact O-N 3.4Å; E199-R203 IonicContact OE1-CZ 2.75Å; E199-R203 IonicContact OE1-NE 3.54Å; E199-R203 PolarHBondContact OE1-NE 3.09Å; E199-R203 IonicContact OE1-NH2 2.61Å; E199-R203 PolarHBondContact OE1-NH2 2.79Å; L200-R203 PolarHBondContact O-N 2.85Å; H201-R203 PolarHBondContact O-N 3.09Å; R203-D205 VanDerWaalsContact C-N 3.3Å; R203-E206 PolarHBondContact O-N 3.35Å; R203-E207 WeakPolarHBondContact O-CB 3.3Å; R203-E207 WeakPolarHBondContact O-CG 3.42Å; R203-E207 PolarHBondContact O-N 2.97Å
204	L	75.2	Confident	81.5	Confident	67 Å²	67	91.8 Å²	91.8	35%	0.351	43%	0.431	S	S	.	.	H	α-helix	trans	-64.8	-38.3	176.7	-75	172.5	0	0	0	111.3	L200 H201 Q208 F326	L200-L204 HydrophobicContact CD1-CD1 4.4Å; L200-L204 HydrophobicContact CD1-CG 4.45Å; L200-L204 HydrophobicContact CG-CD1 4.03Å; L200-L204 HydrophobicContact CG-CG 4.49Å; L200-L204 WeakPolarHBondContact O-CB 3.33Å; L200-L204 VanDerWaalsContact O-CG 3.28Å; L200-L204 WeakPolarHBondContact O-CG 3.39Å; L200-L204 PolarHBondContact O-N 3.4Å; H201-L204 PolarHBondContact O-N 2.8Å; L204-Q208 WeakPolarHBondContact O-CB 3.37Å; L204-Q208 PolarHBondContact O-N 2.78Å; L204-F326 HydrophobicContact CD2-CB 3.83Å; L204-F326 HydrophobicContact CD2-CG 4.47Å
205	D	82.4	Confident	81.1	Confident	84 Å²	84	90.5 Å²	90.5	45%	0.449	42%	0.424	S	S	.	.	H	α-helix	trans	-66.6	-48.5	174.8	-171.3	64.7	0	0	0	111.3	H201 R202 R203 E207 Q208 Q209	H201-D205 PolarHBondContact O-N 2.9Å; R202-D205 PolarHBondContact O-N 2.82Å; R203-D205 VanDerWaalsContact C-N 3.3Å; D205-E207 VanDerWaalsContact C-N 3.32Å; D205-E207 PolarHBondContact O-N 3.42Å; D205-Q208 WeakPolarHBondContact O-CA 3.24Å; D205-Q208 WeakPolarHBondContact O-CB 3.34Å; D205-Q208 PolarHBondContact O-N 2.64Å; D205-Q208 VanDerWaalsContact O-N 3.08Å; D205-Q209 WeakPolarHBondContact O-CG 3.41Å; D205-Q209 PolarHBondContact O-N 3.11Å
206	E	80.1	Confident	81.4	Confident	90 Å²	90	89.5 Å²	89.5	42%	0.421	43%	0.425	S	S	.	.	H	α-helix	trans	-54	-46.7	175.8	-75.3	167.7	-178.9	0	0	112.2	R202 R203 Q209 V210	R202-E206 IonicContact CZ-OE1 3.16Å; R202-E206 IonicContact NH1-OE1 3.23Å; R202-E206 PolarHBondContact NH1-OE1 2.62Å; R202-E206 IonicContact NH1-OE2 3.67Å; R202-E206 PolarHBondContact NH1-OE2 3.24Å; R202-E206 VanDerWaalsContact NH1-OE2 3.12Å; R202-E206 WeakPolarHBondContact O-CG 3.23Å; R202-E206 PolarHBondContact O-N 2.8Å; R203-E206 PolarHBondContact O-N 3.35Å; E206-Q209 PolarHBondContact O-N 3.49Å; E206-V210 WeakPolarHBondContact O-CG2 3.13Å; E206-V210 PolarHBondContact O-N 3.12Å
207	E	71.2	Confident	81.9	Confident	60 Å²	60	91.3 Å²	91.3	28%	0.28	43%	0.434	S	S	.	.	H	α-helix	trans	-66.8	-38.8	176.9	-74.7	-75.6	162.4	0	0	112.7	R203 D205 Q209 V210 L211 F326	R203-E207 WeakPolarHBondContact O-CB 3.3Å; R203-E207 WeakPolarHBondContact O-CG 3.42Å; R203-E207 PolarHBondContact O-N 2.97Å; D205-E207 VanDerWaalsContact C-N 3.32Å; D205-E207 PolarHBondContact O-N 3.42Å; E207-Q209 VanDerWaalsContact C-N 3.29Å; E207-Q209 PolarHBondContact O-N 3.33Å; E207-V210 PolarHBondContact O-N 3.27Å; E207-L211 WeakPolarHBondContact O-CB 3.39Å; E207-L211 VanDerWaalsContact O-CG 3.28Å; E207-L211 WeakPolarHBondContact O-CG 3.14Å; E207-L211 PolarHBondContact O-N 2.89Å; E207-F326 HydrophobicContact CB-CE1 4.48Å; E207-F326 HydrophobicContact CB-CZ 4.27Å; E207-F326 HydrophobicContact CG-CD1 4.18Å; E207-F326 HydrophobicContact CG-CE1 3.45Å; E207-F326 VanDerWaalsContact CG-CE1 3.45Å; E207-F326 HydrophobicContact CG-CE2 4.15Å; E207-F326 HydrophobicContact CG-CZ 3.45Å; E207-F326 VanDerWaalsContact CG-CZ 3.45Å; E207-F326 WeakPolarHBondContact OE1-CZ 3.46Å; E207-F326 WeakPolarHBondContact OE2-CZ 3.11Å
208	Q	79.1	Confident	82.2	Confident	106 Å²	106	87.5 Å²	87.5	50%	0.495	42%	0.417	S	S	.	.	H	α-helix	trans	-58.2	-45.1	172.7	-176.4	-174.8	-75.3	0	0	110.4	L204 D205 L211 L212	L204-Q208 WeakPolarHBondContact O-CB 3.37Å; L204-Q208 PolarHBondContact O-N 2.78Å; D205-Q208 WeakPolarHBondContact O-CA 3.24Å; D205-Q208 WeakPolarHBondContact O-CB 3.34Å; D205-Q208 PolarHBondContact O-N 2.64Å; D205-Q208 VanDerWaalsContact O-N 3.08Å; Q208-L211 PolarHBondContact O-N 3.31Å; Q208-L212 HydrophobicContact CG-CD1 4.18Å; Q208-L212 VanDerWaalsContact O-CG 3.29Å; Q208-L212 WeakPolarHBondContact O-CG 3.2Å; Q208-L212 PolarHBondContact O-N 3.4Å
209	Q	85.7	Confident	82.5	Confident	90 Å²	90	86.4 Å²	86.4	42%	0.421	41%	0.412	S	S	.	.	H	α-helix	trans	-63.9	-45.1	177.6	-61.3	-52.6	-31.6	0	0	111.7	D205 E206 E207 L211 L212 S213	D205-Q209 WeakPolarHBondContact O-CG 3.41Å; D205-Q209 PolarHBondContact O-N 3.11Å; E206-Q209 PolarHBondContact O-N 3.49Å; E207-Q209 VanDerWaalsContact C-N 3.29Å; E207-Q209 PolarHBondContact O-N 3.33Å; Q209-L211 VanDerWaalsContact C-N 3.3Å; Q209-L211 PolarHBondContact O-N 3.17Å; Q209-L212 PolarHBondContact O-N 2.95Å; Q209-S213 PolarHBondContact O-N 2.91Å; Q209-S213 PolarHBondContact O-OG 2.52Å
210	V	80.4	Confident	83.3	Confident	88 Å²	88	90 Å²	90	53%	0.533	43%	0.429	S	S	.	.	H	α-helix	trans	-57.8	-43.1	176.7	168.7	0	0	0	0	111.6	E206 E207 R214	E206-V210 WeakPolarHBondContact O-CG2 3.13Å; E206-V210 PolarHBondContact O-N 3.12Å; E207-V210 PolarHBondContact O-N 3.27Å; V210-R214 WeakPolarHBondContact O-CB 3.37Å; V210-R214 PolarHBondContact O-N 3.44Å
211	L	75.5	Confident	84.2	Confident	73 Å²	73	92.1 Å²	92.1	38%	0.382	44%	0.44	S	S	.	.	H	α-helix	trans	-67.3	-38.9	178.2	-70.7	173.9	0	0	0	112.4	E207 Q208 Q209 L215 F318	E207-L211 WeakPolarHBondContact O-CB 3.39Å; E207-L211 VanDerWaalsContact O-CG 3.28Å; E207-L211 WeakPolarHBondContact O-CG 3.14Å; E207-L211 PolarHBondContact O-N 2.89Å; Q208-L211 PolarHBondContact O-N 3.31Å; Q209-L211 VanDerWaalsContact C-N 3.3Å; Q209-L211 PolarHBondContact O-N 3.17Å; L211-L215 WeakPolarHBondContact O-CB 3.45Å; L211-L215 PolarHBondContact O-N 2.64Å; L211-F318 HydrophobicContact CD2-CB 4.29Å; L211-F318 HydrophobicContact CD2-CD1 3.62Å; L211-F318 HydrophobicContact CD2-CE1 4.28Å; L211-F318 HydrophobicContact CD2-CG 4.03Å
212	L	86.2	Confident	84.7	Confident	79 Å²	79	87.4 Å²	87.4	41%	0.414	42%	0.419	S	S	.	.	H	α-helix	trans	-64.7	-48.5	175.3	-71.6	171.5	0	0	0	110.9	Q208 Q209 R214 L215 E216	Q208-L212 HydrophobicContact CG-CD1 4.18Å; Q208-L212 VanDerWaalsContact O-CG 3.29Å; Q208-L212 WeakPolarHBondContact O-CG 3.2Å; Q208-L212 PolarHBondContact O-N 3.4Å; Q209-L212 PolarHBondContact O-N 2.95Å; L212-R214 VanDerWaalsContact C-N 3.3Å; L212-R214 PolarHBondContact O-N 3.36Å; L212-L215 WeakPolarHBondContact O-CB 3.28Å; L212-L215 PolarHBondContact O-N 2.81Å; L212-L215 VanDerWaalsContact O-N 3.12Å; L212-E216 WeakPolarHBondContact O-CG 3.34Å; L212-E216 PolarHBondContact O-N 3.15Å
213	S	88.8	Confident	85.4	Confident	55 Å²	55	85.6 Å²	85.6	39%	0.385	42%	0.417	S	S	.	.	H	α-helix	trans	-58.9	-41.4	176.9	-60.5	0	0	0	0	112.2	Q209 L215 E216 E217	Q209-S213 PolarHBondContact O-N 2.91Å; Q209-S213 PolarHBondContact O-OG 2.52Å; S213-L215 VanDerWaalsContact C-N 3.34Å; S213-L215 PolarHBondContact O-N 3.41Å; S213-E216 WeakPolarHBondContact O-CB 3.2Å; S213-E216 PolarHBondContact O-N 3.47Å; S213-E217 WeakPolarHBondContact O-CG 3.46Å; S213-E217 PolarHBondContact O-N 2.7Å
214	R	81.5	Confident	86.3	Confident	120 Å²	120	83.6 Å²	83.6	45%	0.453	41%	0.413	S	S	.	.	H	α-helix	trans	-66.2	-35.7	177.1	-172.6	173.1	179.4	170.6	-0.8	112.9	V210 L212 E216 E217 E218 F318	V210-R214 WeakPolarHBondContact O-CB 3.37Å; V210-R214 PolarHBondContact O-N 3.44Å; L212-R214 VanDerWaalsContact C-N 3.3Å; L212-R214 PolarHBondContact O-N 3.36Å; R214-E216 VanDerWaalsContact C-N 3.35Å; R214-E217 PolarHBondContact O-N 2.94Å; R214-E218 PolarHBondContact O-N 3.17Å; R214-F318 VanDerWaalsContact CZ-CZ 3.4Å
215	L	85.4	Confident	87.3	Confident	83 Å²	83	85.6 Å²	85.6	44%	0.435	42%	0.416	S	S	.	.	H	α-helix	trans	-66.5	-39.3	174.7	-179.1	63.4	0	0	0	111.2	L211 L212 S213 E217 E218 E219 L314	L211-L215 WeakPolarHBondContact O-CB 3.45Å; L211-L215 PolarHBondContact O-N 2.64Å; L212-L215 WeakPolarHBondContact O-CB 3.28Å; L212-L215 PolarHBondContact O-N 2.81Å; L212-L215 VanDerWaalsContact O-N 3.12Å; S213-L215 VanDerWaalsContact C-N 3.34Å; S213-L215 PolarHBondContact O-N 3.41Å; L215-E217 VanDerWaalsContact C-N 3.34Å; L215-E218 PolarHBondContact O-N 3.14Å; L215-E219 WeakPolarHBondContact O-CB 3.43Å; L215-E219 PolarHBondContact O-N 3.02Å; L215-L314 HydrophobicContact CD1-CD1 4.23Å; L215-L314 HydrophobicContact CD1-CD2 4.38Å
216	E	92.4	Very high	88	Confident	110 Å²	110	84.5 Å²	84.5	51%	0.514	41%	0.41	S	S	.	.	H	α-helix	trans	-62.6	-40.4	173.8	-68.8	173.8	178.4	0	0	111.6	L212 S213 R214 E219 Q220	L212-E216 WeakPolarHBondContact O-CG 3.34Å; L212-E216 PolarHBondContact O-N 3.15Å; S213-E216 WeakPolarHBondContact O-CB 3.2Å; S213-E216 PolarHBondContact O-N 3.47Å; R214-E216 VanDerWaalsContact C-N 3.35Å; E216-E219 PolarHBondContact O-N 2.83Å; E216-Q220 VanDerWaalsContact O-CG 3.26Å; E216-Q220 WeakPolarHBondContact O-CG 2.97Å; E216-Q220 PolarHBondContact O-N 2.89Å
217	E	90.3	Very high	88.9	Confident	129 Å²	129	87.6 Å²	87.6	60%	0.603	42%	0.418	S	S	*	.	H	α-helix	trans	-62.9	-44.3	173.8	-71.7	173	-171.8	0	0	112.2	S213 R214 L215 Q220 D221	S213-E217 WeakPolarHBondContact O-CG 3.46Å; S213-E217 PolarHBondContact O-N 2.7Å; R214-E217 PolarHBondContact O-N 2.94Å; L215-E217 VanDerWaalsContact C-N 3.34Å; E217-Q220 PolarHBondContact O-N 3.41Å; E217-D221 PolarHBondContact O-N 3.28Å
218	E	88	Confident	90.1	Very high	31 Å²	31	90 Å²	90	15%	0.145	43%	0.429	C	S	.	.	H	α-helix	trans	-63.6	-42.4	177.3	-174.4	178.9	-176.5	0	0	111.6	R214 L215 Q220 D221 I222 L314 E315	R214-E218 PolarHBondContact O-N 3.17Å; L215-E218 PolarHBondContact O-N 3.14Å; E218-Q220 VanDerWaalsContact C-N 3.31Å; E218-Q220 PolarHBondContact O-N 3.11Å; E218-D221 PolarHBondContact O-N 2.9Å; E218-I222 HydrophobicContact CG-CD1 3.98Å; E218-I222 WeakPolarHBondContact O-CG1 3.24Å; E218-I222 PolarHBondContact O-N 2.84Å; E218-L314 HydrophobicContact CG-CD2 4.3Å; E218-L314 WeakPolarHBondContact OE1-CA 3.42Å; E218-E315 PolarHBondContact OE1-N 2.9Å
219	E	92.6	Very high	90.8	Very high	113 Å²	113	86.3 Å²	86.3	53%	0.528	41%	0.412	S	S	.	.	H	α-helix	trans	-58.3	-45.6	173.4	-177.8	-179.5	-164.7	0	0	110.8	L215 E216 I222 L223	L215-E219 WeakPolarHBondContact O-CB 3.43Å; L215-E219 PolarHBondContact O-N 3.02Å; E216-E219 PolarHBondContact O-N 2.83Å; E219-I222 PolarHBondContact O-N 3.36Å; E219-L223 HydrophobicContact CG-CD1 3.87Å; E219-L223 HydrophobicContact CG-CG 4.3Å; E219-L223 VanDerWaalsContact O-CB 3.3Å; E219-L223 WeakPolarHBondContact O-CB 3.48Å; E219-L223 WeakPolarHBondContact O-CG 3.34Å; E219-L223 PolarHBondContact O-N 2.85Å
220	Q	96.3	Very high	91.3	Very high	128 Å²	128	85 Å²	85	60%	0.598	42%	0.417	S	S	*	.	H	α-helix	trans	-62.8	-42.5	178.5	-72.7	174.6	21.6	0	0	112.5	E216 E217 E218 L223 Q224	E216-Q220 VanDerWaalsContact O-CG 3.26Å; E216-Q220 WeakPolarHBondContact O-CG 2.97Å; E216-Q220 PolarHBondContact O-N 2.89Å; E217-Q220 PolarHBondContact O-N 3.41Å; E218-Q220 VanDerWaalsContact C-N 3.31Å; E218-Q220 PolarHBondContact O-N 3.11Å; Q220-L223 PolarHBondContact O-N 2.83Å; Q220-Q224 WeakPolarHBondContact O-CB 3.27Å; Q220-Q224 PolarHBondContact O-N 2.98Å
221	D	94.4	Very high	92	Very high	81 Å²	81	83.5 Å²	83.5	43%	0.433	41%	0.414	S	S	.	.	H	α-helix	trans	-60.5	-50.4	175.2	176.8	73.2	0	0	0	111.6	E217 E218 L223 Q224 R225	E217-D221 PolarHBondContact O-N 3.28Å; E218-D221 PolarHBondContact O-N 2.9Å; D221-L223 VanDerWaalsContact C-N 3.33Å; D221-L223 PolarHBondContact O-N 2.74Å; D221-Q224 PolarHBondContact O-N 2.79Å; D221-R225 WeakPolarHBondContact O-CG 3.49Å; D221-R225 PolarHBondContact O-N 3.21Å; D221-R225 WeakPolarHBondContact OD2-CD 3.49Å; D221-R225 IonicContact OD2-CZ 3.58Å; D221-R225 IonicContact OD2-NE 2.72Å; D221-R225 IonicContact OD2-NH1 2.83Å; D221-R225 PolarHBondContact OD2-NH1 2.8Å
222	I	93.3	Very high	92.9	Very high	18 Å²	18	84 Å²	84	9%	0.092	42%	0.415	C	S	.	.	H	α-helix	trans	-62	-44.2	-179.5	-67.5	171.4	0	0	0	110.1	E218 E219 Q224 R225 L226 I312 L314	E218-I222 HydrophobicContact CG-CD1 3.98Å; E218-I222 WeakPolarHBondContact O-CG1 3.24Å; E218-I222 PolarHBondContact O-N 2.84Å; E219-I222 PolarHBondContact O-N 3.36Å; I222-Q224 VanDerWaalsContact C-N 3.33Å; I222-Q224 PolarHBondContact O-N 3.18Å; I222-R225 PolarHBondContact O-N 2.5Å; I222-L226 HydrophobicContact CG2-CD1 3.93Å; I222-L226 HydrophobicContact CG2-CG 4.4Å; I222-L226 WeakPolarHBondContact O-CB 3.19Å; I222-L226 VanDerWaalsContact O-CG 3.26Å; I222-L226 WeakPolarHBondContact O-CG 3.22Å; I222-L226 PolarHBondContact O-N 2.91Å; I222-I312 HydrophobicContact CG2-CG2 4.29Å; I222-L314 HydrophobicContact CD1-CD2 3.87Å
223	L	97.2	Very high	93.3	Very high	69 Å²	69	83 Å²	83	36%	0.361	41%	0.409	S	S	.	.	H	α-helix	trans	-61	-41	176.1	-75.3	174.7	0	0	0	112	E219 Q220 D221 L226 R227	E219-L223 HydrophobicContact CG-CD1 3.87Å; E219-L223 HydrophobicContact CG-CG 4.3Å; E219-L223 VanDerWaalsContact O-CB 3.3Å; E219-L223 WeakPolarHBondContact O-CB 3.48Å; E219-L223 WeakPolarHBondContact O-CG 3.34Å; E219-L223 PolarHBondContact O-N 2.85Å; Q220-L223 PolarHBondContact O-N 2.83Å; D221-L223 VanDerWaalsContact C-N 3.33Å; D221-L223 PolarHBondContact O-N 2.74Å; L223-L226 PolarHBondContact O-N 3.3Å; L223-R227 WeakPolarHBondContact O-CG 3.5Å; L223-R227 PolarHBondContact O-N 2.76Å
224	Q	97.4	Very high	93.5	Very high	81 Å²	81	81.2 Å²	81.2	38%	0.379	40%	0.4	S	S	.	.	H	α-helix	trans	-64.4	-47.7	178.1	-177.1	56	32.1	0	0	111.2	Q220 D221 I222 L226 R227 E228	Q220-Q224 WeakPolarHBondContact O-CB 3.27Å; Q220-Q224 PolarHBondContact O-N 2.98Å; D221-Q224 PolarHBondContact O-N 2.79Å; I222-Q224 VanDerWaalsContact C-N 3.33Å; I222-Q224 PolarHBondContact O-N 3.18Å; Q224-L226 VanDerWaalsContact C-N 3.3Å; Q224-L226 PolarHBondContact O-N 2.76Å; Q224-R227 WeakPolarHBondContact O-CB 3.43Å; Q224-R227 PolarHBondContact O-N 2.97Å; Q224-R227 VanDerWaalsContact O-N 3.14Å; Q224-E228 PolarHBondContact NE2-OE1 2.87Å; Q224-E228 WeakPolarHBondContact O-CG 3.34Å; Q224-E228 PolarHBondContact O-N 2.96Å
225	R	95.8	Very high	94.1	Very high	109 Å²	109	79 Å²	79	41%	0.411	40%	0.397	S	S	.	.	H	α-helix	trans	-61.5	-37.7	176.5	-71	162.7	57.8	-162.6	-4.7	112.4	D221 I222 N229 V310	D221-R225 WeakPolarHBondContact O-CG 3.49Å; D221-R225 PolarHBondContact O-N 3.21Å; D221-R225 WeakPolarHBondContact OD2-CD 3.49Å; D221-R225 IonicContact OD2-CZ 3.58Å; D221-R225 IonicContact OD2-NE 2.72Å; D221-R225 IonicContact OD2-NH1 2.83Å; D221-R225 PolarHBondContact OD2-NH1 2.8Å; I222-R225 PolarHBondContact O-N 2.5Å; R225-N229 VanDerWaalsContact O-CB 3.3Å; R225-N229 WeakPolarHBondContact O-CB 3.42Å; R225-N229 PolarHBondContact O-N 2.87Å; R225-V310 HydrophobicContact CB-CG1 4.24Å
226	L	97.1	Very high	94.3	Very high	62 Å²	62	77.7 Å²	77.7	33%	0.325	39%	0.388	S	S	.	.	H	α-helix	trans	-63.6	-43.7	174.1	-76.4	168.3	0	0	0	111.8	I222 L223 Q224 N229 A230 V310 I312	I222-L226 HydrophobicContact CG2-CD1 3.93Å; I222-L226 HydrophobicContact CG2-CG 4.4Å; I222-L226 WeakPolarHBondContact O-CB 3.19Å; I222-L226 VanDerWaalsContact O-CG 3.26Å; I222-L226 WeakPolarHBondContact O-CG 3.22Å; I222-L226 PolarHBondContact O-N 2.91Å; L223-L226 PolarHBondContact O-N 3.3Å; Q224-L226 VanDerWaalsContact C-N 3.3Å; Q224-L226 PolarHBondContact O-N 2.76Å; L226-N229 PolarHBondContact O-N 3.22Å; L226-A230 VanDerWaalsContact O-CB 3.32Å; L226-A230 WeakPolarHBondContact O-CB 3.28Å; L226-A230 PolarHBondContact O-N 3.15Å; L226-V310 HydrophobicContact CD2-CB 3.89Å; L226-V310 HydrophobicContact CD2-CG1 4.06Å; L226-V310 HydrophobicContact CG-CG1 4.24Å; L226-I312 HydrophobicContact CD1-CG2 4.1Å; L226-I312 HydrophobicContact CD2-CG2 4.49Å
227	R	97.7	Very high	94.3	Very high	154 Å²	154	80.9 Å²	80.9	58%	0.581	40%	0.395	S	S	*	.	H	α-helix	trans	-62.1	-47.2	176.4	-73.5	175.3	-170.4	141	3.1	111.7	L223 Q224 A230 A231	L223-R227 WeakPolarHBondContact O-CG 3.5Å; L223-R227 PolarHBondContact O-N 2.76Å; Q224-R227 WeakPolarHBondContact O-CB 3.43Å; Q224-R227 PolarHBondContact O-N 2.97Å; Q224-R227 VanDerWaalsContact O-N 3.14Å; R227-A230 PolarHBondContact O-N 3.39Å; R227-A231 PolarHBondContact O-N 2.85Å
228	E	96.4	Very high	94.6	Very high	111 Å²	111	82.3 Å²	82.3	52%	0.519	40%	0.395	S	S	.	.	H	α-helix	trans	-62.1	-44.8	178.4	-72.2	172.1	-172.4	0	0	111.6	Q224 A230 A231 H232	Q224-E228 PolarHBondContact NE2-OE1 2.87Å; Q224-E228 WeakPolarHBondContact O-CG 3.34Å; Q224-E228 PolarHBondContact O-N 2.96Å; E228-A230 VanDerWaalsContact C-N 3.34Å; E228-A230 PolarHBondContact O-N 3.39Å; E228-A231 PolarHBondContact O-N 3.39Å; E228-H232 WeakPolarHBondContact O-CB 3.47Å; E228-H232 PolarHBondContact O-N 2.83Å
229	N	95	Very high	94.6	Very high	28 Å²	28	86.2 Å²	86.2	15%	0.15	42%	0.416	C	S	.	.	H	α-helix	trans	-65	-38.8	177.2	-166.2	52.3	0	0	0	111.8	R225 L226 H232 L233 T308 V310	R225-N229 VanDerWaalsContact O-CB 3.3Å; R225-N229 WeakPolarHBondContact O-CB 3.42Å; R225-N229 PolarHBondContact O-N 2.87Å; L226-N229 PolarHBondContact O-N 3.22Å; N229-H232 PolarHBondContact O-N 3.32Å; N229-L233 WeakPolarHBondContact O-CB 3.43Å; N229-L233 VanDerWaalsContact O-CG 3.25Å; N229-L233 WeakPolarHBondContact O-CG 3.43Å; N229-L233 PolarHBondContact O-N 2.93Å; N229-T308 PolarHBondContact ND2-O 3.46Å; N229-T308 VanDerWaalsContact ND2-O 3.16Å; N229-V310 HydrophobicContact CB-CG2 3.59Å
230	A	95.7	Very high	94.3	Very high	62 Å²	62	83.8 Å²	83.8	51%	0.512	41%	0.407	S	S	.	.	H	α-helix	trans	-63.1	-41.6	175.3	0	0	0	0	0	112.2	L226 R227 E228 G234	L226-A230 VanDerWaalsContact O-CB 3.32Å; L226-A230 WeakPolarHBondContact O-CB 3.28Å; L226-A230 PolarHBondContact O-N 3.15Å; R227-A230 PolarHBondContact O-N 3.39Å; E228-A230 VanDerWaalsContact C-N 3.34Å; E228-A230 PolarHBondContact O-N 3.39Å; A230-G234 PolarHBondContact O-N 2.79Å
231	A	95.8	Very high	94.2	Very high	58 Å²	58	80.4 Å²	80.4	48%	0.479	40%	0.401	S	S	.	.	H	α-helix	trans	-62.7	-48.9	175	0	0	0	0	0	111.4	R227 E228 L233 G234 D235	R227-A231 PolarHBondContact O-N 2.85Å; E228-A231 PolarHBondContact O-N 3.39Å; A231-L233 PolarHBondContact O-N 3.2Å; A231-G234 CarbonylContact O-C 3.59Å; A231-G234 WeakPolarHBondContact O-CA 3.32Å; A231-G234 PolarHBondContact O-N 3.31Å; A231-D235 PolarHBondContact O-N 3.18Å
232	H	93.3	Very high	93.9	Very high	84 Å²	84	82.1 Å²	82.1	39%	0.389	41%	0.406	S	S	.	.	H	α-helix	trans	-60.9	-41.4	178	170.7	-111.9	0	0	0	112.9	E228 N229 G234 D235 K236	E228-H232 WeakPolarHBondContact O-CB 3.47Å; E228-H232 PolarHBondContact O-N 2.83Å; N229-H232 PolarHBondContact O-N 3.32Å; H232-G234 VanDerWaalsContact C-N 3.3Å; H232-D235 PolarHBondContact O-N 3.49Å; H232-K236 WeakPolarHBondContact CE1-CE 3.12Å; H232-K236 PolarHBondContact CE1-NZ 3.01Å; H232-K236 VanDerWaalsContact NE2-CE 3.32Å; H232-K236 WeakPolarHBondContact NE2-CE 3.42Å; H232-K236 PolarHBondContact O-N 3.26Å
233	L	94	Very high	93.5	Very high	57 Å²	57	82.4 Å²	82.4	30%	0.298	41%	0.407	S	S	.	.	H	α-helix	trans	-66.8	-34.2	172.7	-70.1	175.9	0	0	0	111.8	N229 A231 R237 V307	N229-L233 WeakPolarHBondContact O-CB 3.43Å; N229-L233 VanDerWaalsContact O-CG 3.25Å; N229-L233 WeakPolarHBondContact O-CG 3.43Å; N229-L233 PolarHBondContact O-N 2.93Å; A231-L233 PolarHBondContact O-N 3.2Å; L233-R237 VanDerWaalsContact O-CB 3.3Å; L233-R237 WeakPolarHBondContact O-CB 3.15Å; L233-R237 PolarHBondContact O-N 3.18Å; L233-V307 HydrophobicContact CD2-CG1 3.89Å
234	G	94.8	Very high	93	Very high	18 Å²	18	81.8 Å²	81.8	19%	0.186	41%	0.413	C	S	.	.	H	α-helix	trans	-60.4	-43.5	172.1	0	0	0	0	0	112.9	A230 A231 H232 R238	A230-G234 PolarHBondContact O-N 2.79Å; A231-G234 CarbonylContact O-C 3.59Å; A231-G234 WeakPolarHBondContact O-CA 3.32Å; A231-G234 PolarHBondContact O-N 3.31Å; H232-G234 VanDerWaalsContact C-N 3.3Å; G234-R238 PolarHBondContact O-N 3.26Å; G234-R238 VanDerWaalsContact O-N 3.16Å
235	D	92.9	Very high	92.6	Very high	74 Å²	74	80.6 Å²	80.6	40%	0.396	42%	0.416	S	S	.	.	H	α-helix	trans	-64.9	-52.2	174.9	-69.6	-28.4	0	0	0	111.6	A231 H232 R237 R238 D239	A231-D235 PolarHBondContact O-N 3.18Å; H232-D235 PolarHBondContact O-N 3.49Å; D235-R237 PolarHBondContact O-N 2.89Å; D235-R238 WeakPolarHBondContact O-CA 3.43Å; D235-R238 WeakPolarHBondContact O-CB 3.46Å; D235-R238 PolarHBondContact O-N 3.08Å; D235-R238 IonicContact OD1-CZ 3.12Å; D235-R238 IonicContact OD1-NE 3.65Å; D235-R238 IonicContact OD1-NH2 2.62Å; D235-R238 PolarHBondContact OD1-NH2 3.01Å; D235-D239 PolarHBondContact O-N 2.96Å
236	K	89.4	Confident	91.9	Very high	55 Å²	55	78.9 Å²	78.9	24%	0.239	41%	0.413	C	S	.	.	H	α-helix	trans	-54.7	-41.8	176.1	-78.5	-175.1	167.4	-176.9	0	112.3	H232 R238 D239 L240 M305	H232-K236 WeakPolarHBondContact CE1-CE 3.12Å; H232-K236 PolarHBondContact CE1-NZ 3.01Å; H232-K236 VanDerWaalsContact NE2-CE 3.32Å; H232-K236 WeakPolarHBondContact NE2-CE 3.42Å; H232-K236 PolarHBondContact O-N 3.26Å; K236-R238 VanDerWaalsContact C-N 3.33Å; K236-R238 PolarHBondContact O-N 2.95Å; K236-D239 PolarHBondContact O-N 2.84Å; K236-L240 WeakPolarHBondContact O-CB 3.25Å; K236-L240 VanDerWaalsContact O-CG 3.32Å; K236-L240 WeakPolarHBondContact O-CG 3.35Å; K236-L240 PolarHBondContact O-N 2.9Å; K236-M305 HydrophobicContact CD-SD 4.37Å
237	R	93.7	Very high	91.1	Very high	177 Å²	177	78.1 Å²	78.1	67%	0.668	41%	0.411	S	S	*	.	H	α-helix	trans	-60.9	-42	175.8	-178.8	-171.6	63.9	160.7	-1	111.4	L233 D235 A241	L233-R237 VanDerWaalsContact O-CB 3.3Å; L233-R237 WeakPolarHBondContact O-CB 3.15Å; L233-R237 PolarHBondContact O-N 3.18Å; D235-R237 PolarHBondContact O-N 2.89Å; R237-A241 VanDerWaalsContact O-CB 3.25Å; R237-A241 WeakPolarHBondContact O-CB 3.34Å; R237-A241 PolarHBondContact O-N 3.14Å
238	R	95.2	Very high	90.4	Very high	158 Å²	158	76.9 Å²	76.9	60%	0.596	41%	0.412	S	S	*	.	H	α-helix	trans	-63.9	-46	176.8	-76	-173	-79.9	-137	0.9	111.4	G234 D235 K236 L240 A241 H242	G234-R238 PolarHBondContact O-N 3.26Å; G234-R238 VanDerWaalsContact O-N 3.16Å; D235-R238 WeakPolarHBondContact O-CA 3.43Å; D235-R238 WeakPolarHBondContact O-CB 3.46Å; D235-R238 PolarHBondContact O-N 3.08Å; D235-R238 IonicContact OD1-CZ 3.12Å; D235-R238 IonicContact OD1-NE 3.65Å; D235-R238 IonicContact OD1-NH2 2.62Å; D235-R238 PolarHBondContact OD1-NH2 3.01Å; K236-R238 VanDerWaalsContact C-N 3.33Å; K236-R238 PolarHBondContact O-N 2.95Å; R238-L240 PolarHBondContact O-N 2.91Å; R238-A241 PolarHBondContact O-N 3.34Å; R238-H242 WeakPolarHBondContact O-CB 3.35Å; R238-H242 PolarHBondContact O-N 2.71Å
239	D	88	Confident	89.7	Confident	113 Å²	113	73.3 Å²	73.3	60%	0.604	40%	0.404	S	S	*	.	H	α-helix	trans	-62.3	-43	178.8	-66.6	-17.6	0	0	0	111.7	D235 K236 H242 L243	D235-D239 PolarHBondContact O-N 2.96Å; K236-D239 PolarHBondContact O-N 2.84Å; D239-H242 PolarHBondContact O-N 3.13Å; D239-L243 WeakPolarHBondContact O-CB 3.28Å; D239-L243 PolarHBondContact O-N 2.87Å
240	L	87.9	Confident	88.8	Confident	62 Å²	62	74.2 Å²	74.2	33%	0.325	41%	0.407	S	S	.	.	H	α-helix	trans	-66.4	-41.9	175.7	-73.5	-175.3	0	0	0	112.6	K236 R238 H242 L243 A244 V302 M305	K236-L240 WeakPolarHBondContact O-CB 3.25Å; K236-L240 VanDerWaalsContact O-CG 3.32Å; K236-L240 WeakPolarHBondContact O-CG 3.35Å; K236-L240 PolarHBondContact O-N 2.9Å; R238-L240 PolarHBondContact O-N 2.91Å; L240-H242 VanDerWaalsContact C-N 3.29Å; L240-H242 PolarHBondContact O-N 3.03Å; L240-L243 PolarHBondContact O-N 2.85Å; L240-A244 VanDerWaalsContact O-CB 3.29Å; L240-A244 WeakPolarHBondContact O-CB 3.46Å; L240-A244 PolarHBondContact O-N 3.1Å; L240-V302 HydrophobicContact CD1-CG1 4.38Å; L240-V302 HydrophobicContact CD2-CB 4.15Å; L240-V302 HydrophobicContact CD2-CG1 3.44Å; L240-V302 VanDerWaalsContact CD2-CG1 3.44Å; L240-V302 HydrophobicContact CD2-CG2 3.51Å; L240-M305 HydrophobicContact CD1-CE 3.7Å; L240-M305 HydrophobicContact CD2-CE 4.26Å; L240-M305 HydrophobicContact CG-CE 4.24Å
241	A	92.4	Very high	87.9	Confident	57 Å²	57	75.7 Å²	75.7	47%	0.471	41%	0.412	S	S	.	.	H	α-helix	trans	-63	-39.3	175.9	0	0	0	0	0	111.1	R237 R238 A244 A245	R237-A241 VanDerWaalsContact O-CB 3.25Å; R237-A241 WeakPolarHBondContact O-CB 3.34Å; R237-A241 PolarHBondContact O-N 3.14Å; R238-A241 PolarHBondContact O-N 3.34Å; A241-A244 PolarHBondContact O-N 2.81Å; A241-A245 WeakPolarHBondContact O-CB 3.36Å; A241-A245 PolarHBondContact O-N 2.99Å
242	H	89	Confident	87.2	Confident	118 Å²	118	79.5 Å²	79.5	55%	0.546	42%	0.424	S	S	.	.	H	α-helix	trans	-64.2	-49.3	174.8	-173.8	58.7	0	0	0	111.5	R238 D239 L240 A244 A245 E246	R238-H242 WeakPolarHBondContact O-CB 3.35Å; R238-H242 PolarHBondContact O-N 2.71Å; D239-H242 PolarHBondContact O-N 3.13Å; L240-H242 VanDerWaalsContact C-N 3.29Å; L240-H242 PolarHBondContact O-N 3.03Å; H242-A244 VanDerWaalsContact C-N 3.3Å; H242-A244 PolarHBondContact O-N 3.44Å; H242-A245 PolarHBondContact O-N 2.82Å; H242-E246 IonicContact CD2-OE1 3.96Å; H242-E246 IonicContact CE1-OE1 2.74Å; H242-E246 IonicContact NE2-OE1 2.99Å; H242-E246 PolarHBondContact NE2-OE1 2.84Å; H242-E246 WeakPolarHBondContact O-CG 3.28Å; H242-E246 PolarHBondContact O-N 3.16Å
243	L	85.2	Confident	86.3	Confident	23 Å²	23	79.5 Å²	79.5	12%	0.12	42%	0.424	C	S	.	.	H	α-helix	trans	-60.2	-40	176.7	-179.8	62.3	0	0	0	112	D239 L240 E246 V247 R298 V302	D239-L243 WeakPolarHBondContact O-CB 3.28Å; D239-L243 PolarHBondContact O-N 2.87Å; L240-L243 PolarHBondContact O-N 2.85Å; L243-E246 PolarHBondContact O-N 2.98Å; L243-V247 HydrophobicContact CD1-CG2 4.41Å; L243-V247 VanDerWaalsContact O-CG2 3.31Å; L243-V247 WeakPolarHBondContact O-CG2 3.38Å; L243-V247 PolarHBondContact O-N 2.8Å; L243-R298 HydrophobicContact CD1-CB 4.47Å; L243-R298 HydrophobicContact CD2-CB 4.29Å; L243-V302 HydrophobicContact CD2-CG2 4.11Å
244	A	85.9	Confident	85.1	Confident	57 Å²	57	80 Å²	80	47%	0.471	43%	0.432	S	S	.	.	H	α-helix	trans	-62.5	-46.6	176	0	0	0	0	0	111.4	L240 A241 H242 E246 V247 E248	L240-A244 VanDerWaalsContact O-CB 3.29Å; L240-A244 WeakPolarHBondContact O-CB 3.46Å; L240-A244 PolarHBondContact O-N 3.1Å; A241-A244 PolarHBondContact O-N 2.81Å; H242-A244 VanDerWaalsContact C-N 3.3Å; H242-A244 PolarHBondContact O-N 3.44Å; A244-E246 PolarHBondContact O-N 2.82Å; A244-V247 PolarHBondContact O-N 2.75Å; A244-E248 WeakPolarHBondContact O-CB 3.42Å; A244-E248 PolarHBondContact O-N 2.85Å
245	A	88.9	Confident	83.7	Confident	55 Å²	55	81.6 Å²	81.6	46%	0.455	45%	0.449	S	S	.	.	H	α-helix	trans	-64.7	-38	177.2	0	0	0	0	0	112.6	A241 H242 G249	A241-A245 WeakPolarHBondContact O-CB 3.36Å; A241-A245 PolarHBondContact O-N 2.99Å; H242-A245 PolarHBondContact O-N 2.82Å; A245-G249 PolarHBondContact O-N 3.45Å
246	E	81.5	Confident	82.4	Confident	73 Å²	73	83.7 Å²	83.7	34%	0.341	46%	0.455	S	S	.	.	H	α-helix	trans	-60.6	-46.2	173.6	-75.4	-173	157.3	0	0	111.4	H242 L243 A244 G249 K250	H242-E246 IonicContact CD2-OE1 3.96Å; H242-E246 IonicContact CE1-OE1 2.74Å; H242-E246 IonicContact NE2-OE1 2.99Å; H242-E246 PolarHBondContact NE2-OE1 2.84Å; H242-E246 WeakPolarHBondContact O-CG 3.28Å; H242-E246 PolarHBondContact O-N 3.16Å; L243-E246 PolarHBondContact O-N 2.98Å; A244-E246 PolarHBondContact O-N 2.82Å; E246-G249 PolarHBondContact O-N 2.96Å; E246-K250 WeakPolarHBondContact O-CG 3.37Å; E246-K250 PolarHBondContact O-N 2.93Å
247	V	79.4	Confident	81.2	Confident	46 Å²	46	84.8 Å²	84.8	28%	0.279	46%	0.461	S	S	.	.	H	α-helix	trans	-68	-45	179.7	172.6	0	0	0	0	111	L243 A244 G249 K250 C251	L243-V247 HydrophobicContact CD1-CG2 4.41Å; L243-V247 VanDerWaalsContact O-CG2 3.31Å; L243-V247 WeakPolarHBondContact O-CG2 3.38Å; L243-V247 PolarHBondContact O-N 2.8Å; A244-V247 PolarHBondContact O-N 2.75Å; V247-G249 VanDerWaalsContact C-N 3.33Å; V247-G249 PolarHBondContact O-N 2.91Å; V247-K250 PolarHBondContact O-N 3.24Å; V247-K250 VanDerWaalsContact O-N 3.17Å; V247-C251 PolarHBondContact O-N 2.96Å; V247-C251 PolarHBondContact O-SG 3.35Å
248	E	83.8	Confident	79.7	Confident	129 Å²	129	79.2 Å²	79.2	60%	0.603	44%	0.443	S	S	*	.	H	α-helix	trans	-58.8	-45.6	175.8	-174.8	174	-159.8	0	0	111.1	A244 K250 C251 L252	A244-E248 WeakPolarHBondContact O-CB 3.42Å; A244-E248 PolarHBondContact O-N 2.85Å; E248-K250 VanDerWaalsContact C-N 3.32Å; E248-K250 PolarHBondContact O-N 2.77Å; E248-C251 PolarHBondContact O-N 2.95Å; E248-C251 VanDerWaalsContact O-N 3.13Å; E248-L252 HydrophobicContact CG-CD1 4.31Å; E248-L252 WeakPolarHBondContact O-CG 3.36Å; E248-L252 PolarHBondContact O-N 2.83Å
249	G	82.3	Confident	78.1	Confident	35 Å²	35	75.6 Å²	75.6	36%	0.361	44%	0.435	S	S	.	.	H	α-helix	trans	-58.1	-41.9	174.7	0	0	0	0	0	112.7	A245 E246 V247 Q253	A245-G249 PolarHBondContact O-N 3.45Å; E246-G249 PolarHBondContact O-N 2.96Å; V247-G249 VanDerWaalsContact C-N 3.33Å; V247-G249 PolarHBondContact O-N 2.91Å; G249-Q253 WeakPolarHBondContact O-CG 3.35Å
250	K	74.9	Confident	76.7	Confident	48 Å²	48	74.3 Å²	74.3	21%	0.209	42%	0.424	C	S	.	.	H	α-helix	trans	-67.8	-36.9	174.6	-72.1	-173.8	-172.9	-157.6	0	112.7	E246 V247 E248 L252 Q253 L292 E295	E246-K250 WeakPolarHBondContact O-CG 3.37Å; E246-K250 PolarHBondContact O-N 2.93Å; V247-K250 PolarHBondContact O-N 3.24Å; V247-K250 VanDerWaalsContact O-N 3.17Å; E248-K250 VanDerWaalsContact C-N 3.32Å; E248-K250 PolarHBondContact O-N 2.77Å; K250-L252 VanDerWaalsContact C-N 3.32Å; K250-L252 PolarHBondContact O-N 2.86Å; K250-Q253 PolarHBondContact O-N 2.93Å; K250-L292 HydrophobicContact CD-CD2 4.3Å; K250-E295 IonicContact NZ-OE2 3.57Å; K250-E295 PolarHBondContact NZ-OE2 2.92Å
251	C	76.7	Confident	75	Confident	92 Å²	92	75.9 Å²	75.9	62%	0.622	43%	0.433	S	S	*	.	H	α-helix	trans	-68.7	-27.8	178.2	-72.4	0	0	0	0	113.4	V247 E248	V247-C251 PolarHBondContact O-N 2.96Å; V247-C251 PolarHBondContact O-SG 3.35Å; E248-C251 PolarHBondContact O-N 2.95Å; E248-C251 VanDerWaalsContact O-N 3.13Å
252	L	81.3	Confident	73	Confident	139 Å²	139	74 Å²	74	73%	0.728	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-12.8	177.3	-69.5	171.9	0	0	0	113.7	E248 K250	E248-L252 HydrophobicContact CG-CD1 4.31Å; E248-L252 WeakPolarHBondContact O-CG 3.36Å; E248-L252 PolarHBondContact O-N 2.83Å; K250-L252 VanDerWaalsContact C-N 3.32Å; K250-L252 PolarHBondContact O-N 2.86Å
253	Q	74.2	Confident	70.9	Confident	83 Å²	83	72.7 Å²	72.7	39%	0.388	41%	0.408	S	S	.	.	S	Bend	trans	-68.1	147.3	176.7	-73.3	171.9	1.2	0	0	110.7	G249 K250 E257 M258	G249-Q253 WeakPolarHBondContact O-CG 3.35Å; K250-Q253 PolarHBondContact O-N 2.93Å; Q253-E257 HydrophobicContact CB-CB 4.17Å; Q253-M258 HydrophobicContact CB-CB 4.08Å
254	S	70.4	Confident	69.2	Low	67 Å²	67	73.7 Å²	73.7	47%	0.469	42%	0.417	S	S	.	.			trans	-57.6	147.3	169.4	73.1	0	0	0	0	109.1	F256 E257 M258	S254-F256 CarbonylContact O-C 3.51Å; S254-F256 PolarHBondContact O-N 2.95Å; S254-E257 PolarHBondContact O-N 3.05Å; S254-E257 WeakPolarHBondContact OG-CG 3.45Å; S254-E257 PolarHBondContact OG-N 3.38Å; S254-M258 PolarHBondContact O-N 3.46Å
255	G	64.2	Low	67.4	Low	53 Å²	53	72.9 Å²	72.9	55%	0.546	41%	0.406	S	S	.	.	H	α-helix	trans	-53	-29.7	-178.3	0	0	0	0	0	113	L259	G255-L259 WeakPolarHBondContact O-CB 3.11Å; G255-L259 WeakPolarHBondContact O-CD1 3.35Å; G255-L259 WeakPolarHBondContact O-CG 3.5Å; G255-L259 PolarHBondContact O-N 3.4Å
256	F	65.4	Low	65.2	Low	117 Å²	117	71.7 Å²	71.7	51%	0.513	39%	0.392	S	S	.	.	H	α-helix	trans	-70.2	-46.7	172.1	-175.5	-97	0	0	0	113.4	S254 L259 K260 K263	S254-F256 CarbonylContact O-C 3.51Å; S254-F256 PolarHBondContact O-N 2.95Å; F256-L259 CarbonylContact O-C 3.22Å; F256-L259 PolarHBondContact O-N 3.06Å; F256-K260 HydrophobicContact CE1-CD 4.19Å; F256-K260 HydrophobicContact CE1-CG 4.4Å; F256-K260 WeakPolarHBondContact O-CA 3.36Å; F256-K260 WeakPolarHBondContact O-CB 3.22Å; F256-K260 PolarHBondContact O-N 3.49Å; F256-K263 HydrophobicContact CE2-CD 4.3Å; F256-K263 HydrophobicContact CZ-CD 4.08Å
257	E	64.4	Low	63.4	Low	78 Å²	78	74 Å²	74	36%	0.364	40%	0.403	S	S	.	.	H	α-helix	trans	-68.3	-40.2	179.4	-69.2	-63.8	136.1	0	0	112	Q253 S254 L259 K260	Q253-E257 HydrophobicContact CB-CB 4.17Å; S254-E257 PolarHBondContact O-N 3.05Å; S254-E257 WeakPolarHBondContact OG-CG 3.45Å; S254-E257 PolarHBondContact OG-N 3.38Å; E257-L259 PolarHBondContact O-N 3.26Å; E257-K260 VanDerWaalsContact CD-CD 3.49Å; E257-K260 VanDerWaalsContact CD-NZ 3.28Å; E257-K260 WeakPolarHBondContact O-CB 3.34Å; E257-K260 PolarHBondContact O-N 2.84Å; E257-K260 WeakPolarHBondContact OE1-CD 3.02Å; E257-K260 IonicContact OE1-NZ 2.85Å; E257-K260 PolarHBondContact OE1-NZ 3.16Å; E257-K260 WeakPolarHBondContact OE2-CD 3.19Å; E257-K260 IonicContact OE2-NZ 3.73Å; E257-K260 PolarHBondContact OE2-NZ 2.89Å
258	M	62.1	Low	61.9	Low	60 Å²	60	80.4 Å²	80.4	30%	0.296	43%	0.427	S	S	.	.	H	α-helix	trans	-58.2	-37.9	172.7	-174.2	-173.1	178.8	0	0	111.5	Q253 S254 L292	Q253-M258 HydrophobicContact CB-CB 4.08Å; S254-M258 PolarHBondContact O-N 3.46Å; M258-L292 HydrophobicContact CE-CD1 4.18Å; M258-L292 HydrophobicContact CE-CD2 3.64Å; M258-L292 HydrophobicContact CG-CD2 4.45Å
259	L	61.9	Low	59.8	Low	82 Å²	82	77.4 Å²	77.4	43%	0.429	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	9.4	173.9	-59.8	174.5	0	0	0	112.9	G255 F256 E257 V262 K263 L292	G255-L259 WeakPolarHBondContact O-CB 3.11Å; G255-L259 WeakPolarHBondContact O-CD1 3.35Å; G255-L259 WeakPolarHBondContact O-CG 3.5Å; G255-L259 PolarHBondContact O-N 3.4Å; F256-L259 CarbonylContact O-C 3.22Å; F256-L259 PolarHBondContact O-N 3.06Å; E257-L259 PolarHBondContact O-N 3.26Å; L259-V262 HydrophobicContact CB-CB 4.2Å; L259-V262 HydrophobicContact CD2-CB 4.36Å; L259-V262 HydrophobicContact CD2-CG2 3.9Å; L259-V262 CarbonylContact O-C 3.51Å; L259-V262 WeakPolarHBondContact O-CA 3.42Å; L259-V262 WeakPolarHBondContact O-CB 3.5Å; L259-V262 PolarHBondContact O-N 2.76Å; L259-K263 PolarHBondContact O-N 2.92Å; L259-L292 HydrophobicContact CD2-CD1 4.12Å
260	K	58.1	Low	57.6	Low	86 Å²	86	80.2 Å²	80.2	37%	0.374	42%	0.421	S	S	.	.	H	α-helix	trans	-85.5	-29.3	176.8	-164.3	-179.5	-176.8	179.6	0	111.2	F256 E257 V262 K263 S264	F256-K260 HydrophobicContact CE1-CD 4.19Å; F256-K260 HydrophobicContact CE1-CG 4.4Å; F256-K260 WeakPolarHBondContact O-CA 3.36Å; F256-K260 WeakPolarHBondContact O-CB 3.22Å; F256-K260 PolarHBondContact O-N 3.49Å; E257-K260 VanDerWaalsContact CD-CD 3.49Å; E257-K260 VanDerWaalsContact CD-NZ 3.28Å; E257-K260 WeakPolarHBondContact O-CB 3.34Å; E257-K260 PolarHBondContact O-N 2.84Å; E257-K260 WeakPolarHBondContact OE1-CD 3.02Å; E257-K260 IonicContact OE1-NZ 2.85Å; E257-K260 PolarHBondContact OE1-NZ 3.16Å; E257-K260 WeakPolarHBondContact OE2-CD 3.19Å; E257-K260 IonicContact OE2-NZ 3.73Å; E257-K260 PolarHBondContact OE2-NZ 2.89Å; K260-V262 PolarHBondContact O-N 3.44Å; K260-K263 CarbonylContact O-C 3.52Å; K260-K263 PolarHBondContact O-N 3.1Å; K260-K263 VanDerWaalsContact O-N 3.14Å; K260-S264 WeakPolarHBondContact O-CB 3.39Å; K260-S264 PolarHBondContact O-N 3.37Å; K260-S264 PolarHBondContact O-OG 3.07Å
261	D	52.7	Low	55.9	Low	96 Å²	96	82 Å²	82	51%	0.513	44%	0.438	S	S	.	.	H	α-helix	trans	-59.3	-31.2	159.8	-80.8	-12	0	0	0	110.6	T265	D261-T265 WeakPolarHBondContact O-CB 3.44Å; D261-T265 PolarHBondContact O-N 2.77Å; D261-T265 PolarHBondContact O-OG1 3.16Å
262	V	50.4	Low	54.2	Low	16 Å²	16	88.7 Å²	88.7	10%	0.097	45%	0.45	C	S	.	.	H	α-helix	trans	-67.3	-50.1	170.9	159.3	0	0	0	0	111.1	L259 K260 L266 A288 L292	L259-V262 HydrophobicContact CB-CB 4.2Å; L259-V262 HydrophobicContact CD2-CB 4.36Å; L259-V262 HydrophobicContact CD2-CG2 3.9Å; L259-V262 CarbonylContact O-C 3.51Å; L259-V262 WeakPolarHBondContact O-CA 3.42Å; L259-V262 WeakPolarHBondContact O-CB 3.5Å; L259-V262 PolarHBondContact O-N 2.76Å; K260-V262 PolarHBondContact O-N 3.44Å; V262-L266 HydrophobicContact CG1-CD1 3.91Å; V262-L266 WeakPolarHBondContact O-CD1 2.97Å; V262-L266 PolarHBondContact O-N 3.35Å; V262-L266 VanDerWaalsContact O-N 3.08Å; V262-A288 HydrophobicContact CB-CB 3.51Å; V262-A288 HydrophobicContact CG1-CB 3.57Å; V262-A288 VanDerWaalsContact CG2-C 3.45Å; V262-A288 HydrophobicContact CG2-CB 3.62Å; V262-A288 VanDerWaalsContact O-CB 3.25Å; V262-A288 WeakPolarHBondContact O-CB 3.36Å; V262-L292 HydrophobicContact CG2-CD1 4.37Å
263	K	45.7	Very low	52.2	Low	91 Å²	91	90.8 Å²	90.8	40%	0.396	45%	0.453	S	S	.	.	H	α-helix	trans	-66.4	-43.7	-178.6	-165.6	-178.3	179.3	-172	0	114.3	F256 L259 K260 T265 L266 E267	F256-K263 HydrophobicContact CE2-CD 4.3Å; F256-K263 HydrophobicContact CZ-CD 4.08Å; L259-K263 PolarHBondContact O-N 2.92Å; K260-K263 CarbonylContact O-C 3.52Å; K260-K263 PolarHBondContact O-N 3.1Å; K260-K263 VanDerWaalsContact O-N 3.14Å; K263-T265 VanDerWaalsContact C-N 3.31Å; K263-T265 PolarHBondContact O-N 2.67Å; K263-L266 VanDerWaalsContact O-CB 3.28Å; K263-L266 WeakPolarHBondContact O-CB 3.45Å; K263-L266 PolarHBondContact O-N 3.39Å; K263-E267 VanDerWaalsContact CE-OE1 3.22Å; K263-E267 WeakPolarHBondContact CE-OE1 3.17Å; K263-E267 IonicContact NZ-OE1 3.81Å; K263-E267 WeakPolarHBondContact O-CG 3.41Å; K263-E267 PolarHBondContact O-N 2.94Å
264	S	49.8	Very low	50.6	Low	44 Å²	44	96.2 Å²	96.2	31%	0.308	48%	0.476	S	S	.	.	H	α-helix	trans	-68.2	-32.7	-178.7	73.8	0	0	0	0	111.9	K260 K268	K260-S264 WeakPolarHBondContact O-CB 3.39Å; K260-S264 PolarHBondContact O-N 3.37Å; K260-S264 PolarHBondContact O-OG 3.07Å; S264-K268 WeakPolarHBondContact O-CG 3.24Å; S264-K268 PolarHBondContact O-N 3.34Å
265	T	46.5	Very low	48.9	Very low	40 Å²	40	97.1 Å²	97.1	25%	0.245	50%	0.495	C	S	.	.	H	α-helix	trans	-70.9	-38.3	172.5	-56.8	0	0	0	0	111.4	D261 K263 N269 K287	D261-T265 WeakPolarHBondContact O-CB 3.44Å; D261-T265 PolarHBondContact O-N 2.77Å; D261-T265 PolarHBondContact O-OG1 3.16Å; K263-T265 VanDerWaalsContact C-N 3.31Å; K263-T265 PolarHBondContact O-N 2.67Å; T265-N269 PolarHBondContact O-N 3.15Å; T265-N269 PolarHBondContact O-ND2 3.46Å; T265-K287 HydrophobicContact CG2-CB 3.87Å; T265-K287 HydrophobicContact CG2-CD 3.92Å; T265-K287 HydrophobicContact CG2-CG 3.98Å
266	L	42.9	Very low	47.5	Very low	31 Å²	31	98 Å²	98	16%	0.162	51%	0.505	C	S	.	.	H	α-helix	trans	-59.6	-49.7	170.8	-87.3	153.4	0	0	0	111.2	V262 K263 K268 N269 I270 R284 D285	V262-L266 HydrophobicContact CG1-CD1 3.91Å; V262-L266 WeakPolarHBondContact O-CD1 2.97Å; V262-L266 PolarHBondContact O-N 3.35Å; V262-L266 VanDerWaalsContact O-N 3.08Å; K263-L266 VanDerWaalsContact O-CB 3.28Å; K263-L266 WeakPolarHBondContact O-CB 3.45Å; K263-L266 PolarHBondContact O-N 3.39Å; L266-K268 PolarHBondContact O-N 2.87Å; L266-N269 PolarHBondContact O-N 3.18Å; L266-I270 WeakPolarHBondContact O-CG1 3.45Å; L266-I270 PolarHBondContact O-N 3.01Å; L266-R284 VanDerWaalsContact CD2-C 3.4Å; L266-R284 HydrophobicContact CD2-CB 3.91Å; L266-R284 WeakPolarHBondContact CD2-O 3.23Å; L266-D285 WeakPolarHBondContact CD1-OD1 3.48Å; L266-D285 WeakPolarHBondContact CD2-OD1 3.4Å
267	E	44.8	Very low	46.1	Very low	122 Å²	122	98.3 Å²	98.3	57%	0.57	52%	0.522	S	S	*	.	H	α-helix	trans	-64.3	-37.6	-178.1	-75.1	176.5	-179.8	0	0	112.8	K263 N269	K263-E267 VanDerWaalsContact CE-OE1 3.22Å; K263-E267 WeakPolarHBondContact CE-OE1 3.17Å; K263-E267 IonicContact NZ-OE1 3.81Å; K263-E267 WeakPolarHBondContact O-CG 3.41Å; K263-E267 PolarHBondContact O-N 2.94Å; E267-N269 VanDerWaalsContact C-N 3.29Å; E267-N269 PolarHBondContact O-N 2.99Å
268	K	47.7	Very low	44.6	Very low	180 Å²	180	102.6 Å²	102.6	78%	0.783	55%	0.546	S	S	*	.	H	α-helix	trans	-72.9	-15.4	177.4	-73	-178.6	-177.9	176.7	0	114.4	S264 L266	S264-K268 WeakPolarHBondContact O-CG 3.24Å; S264-K268 PolarHBondContact O-N 3.34Å; L266-K268 PolarHBondContact O-N 2.87Å
269	N	39.9	Very low	43.2	Very low	65 Å²	65	105 Å²	105	35%	0.348	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-116.1	19.5	-178.6	-65.6	-83.2	0	0	0	113.7	T265 L266 E267 P271 R284	T265-N269 PolarHBondContact O-N 3.15Å; T265-N269 PolarHBondContact O-ND2 3.46Å; L266-N269 PolarHBondContact O-N 3.18Å; E267-N269 VanDerWaalsContact C-N 3.29Å; E267-N269 PolarHBondContact O-N 2.99Å; N269-P271 VanDerWaalsContact O-CD 3.23Å; N269-P271 WeakPolarHBondContact O-CD 3.47Å; N269-R284 WeakPolarHBondContact O-CD 3.38Å; N269-R284 PolarHBondContact O-NE 3.45Å
270	I	36.4	Very low	41.9	Very low	95 Å²	95	107.2 Å²	107.2	49%	0.487	59%	0.586	S	S	.	*			trans	-91	104.9	165.7	-64.4	159.5	0	0	0	107.6	L266 R272	L266-I270 WeakPolarHBondContact O-CG1 3.45Å; L266-I270 PolarHBondContact O-N 3.01Å; I270-R272 PolarHBondContact O-N 2.88Å
271	P	38.8	Very low	40.8	Very low	85 Å²	85	110.4 Å²	110.4	55%	0.552	61%	0.606	S	S	*	*			trans	-62.9	112	161.3	-7.7	26	0	0	0	105.4	N269 K273	N269-P271 VanDerWaalsContact O-CD 3.23Å; N269-P271 WeakPolarHBondContact O-CD 3.47Å; P271-K273 PolarHBondContact O-N 2.81Å
272	R	40.4	Very low	40.2	Very low	232 Å²	232	109 Å²	109	88%	0.875	60%	0.603	S	S	*	*			trans	-52.9	101.6	166.4	-68.4	177.6	175.6	-178.1	-2.3	107.4	I270	I270-R272 PolarHBondContact O-N 2.88Å
273	K	38.6	Very low	40	Very low	184 Å²	184	113.5 Å²	113.5	80%	0.8	63%	0.632	S	S	*	*			trans	-177.8	136.4	152.4	-101.7	158.8	-170.8	-168.3	0	109.8	P271	P271-K273 PolarHBondContact O-N 2.81Å
274	F	40.9	Very low	40	Very low	196 Å²	196	114.2 Å²	114.2	86%	0.86	63%	0.632	S	S	*	*			trans	89.1	90.1	175.1	-61.9	-79.3	0	0	0	116
275	G	35.2	Very low	39.8	Very low	86 Å²	86	115.4 Å²	115.4	89%	0.887	64%	0.635	S	S	*	*			trans	-64.2	134.1	154	0	0	0	0	0	109.8
276	G	34.8	Very low	40	Very low	73 Å²	73	119.4 Å²	119.4	75%	0.753	65%	0.651	S	S	*	*			trans	158.6	114	179.2	0	0	0	0	0	110
277	S	37.1	Very low	40.5	Very low	122 Å²	122	123.8 Å²	123.8	85%	0.853	67%	0.668	S	S	*	*			trans	39.4	109.9	164.8	-73.4	0	0	0	0	119.1
278	L	31.6	Very low	41	Very low	168 Å²	168	118.3 Å²	118.3	88%	0.88	64%	0.644	S	S	*	*	S	Bend	trans	-12.1	143.5	132.8	-122.9	70.1	0	0	0	114.5
279	S	34.1	Very low	41.3	Very low	111 Å²	111	113.6 Å²	113.6	78%	0.776	63%	0.627	S	S	*	*			trans	86.1	64.8	173.3	89.3	0	0	0	0	115.9
280	T	33.4	Very low	42.4	Very low	129 Å²	129	113.3 Å²	113.3	79%	0.791	63%	0.625	S	S	*	*				-157.7	118.5	125.7	-63.7	0	0	0	0	105.1	C282	T280-C282 VanDerWaalsContact C-N 3.31Å; T280-C282 PolarHBondContact O-N 2.85Å
281	I	34.7	Very low	43.9	Very low	153 Å²	153	109.9 Å²	109.9	79%	0.785	61%	0.614	S	S	*	*			trans	-47.3	100.3	170.1	-68.5	159.2	0	0	0	106.6
282	C	41.2	Very low	45.2	Very low	66 Å²	66	107.3 Å²	107.3	45%	0.446	60%	0.595	S	S	.	*			trans	-70.4	132	-173.5	-173.1	0	0	0	0	106.5	T280 R284	T280-C282 VanDerWaalsContact C-N 3.31Å; T280-C282 PolarHBondContact O-N 2.85Å; C282-R284 PolarHBondContact O-N 2.93Å
283	P	45	Very low	46.6	Very low	110 Å²	110	99.3 Å²	99.3	71%	0.714	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-60.8	15.7	-177.9	-24.6	33.4	0	0	0	116.4	H286	P283-H286 WeakPolarHBondContact O-CB 3.22Å; P283-H286 PolarHBondContact O-N 2.99Å
284	R	46	Very low	48.2	Very low	106 Å²	106	95.7 Å²	95.7	40%	0.4	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-87.4	-12.4	-175.9	-74.8	-175.1	177	150.7	-0.9	114.7	L266 N269 C282 H286	L266-R284 VanDerWaalsContact CD2-C 3.4Å; L266-R284 HydrophobicContact CD2-CB 3.91Å; L266-R284 WeakPolarHBondContact CD2-O 3.23Å; N269-R284 WeakPolarHBondContact O-CD 3.38Å; N269-R284 PolarHBondContact O-NE 3.45Å; C282-R284 PolarHBondContact O-N 2.93Å; R284-H286 PolarHBondContact O-N 2.83Å; R284-H286 VanDerWaalsContact O-N 3.09Å
285	D	46.7	Very low	49.7	Very low	69 Å²	69	87.5 Å²	87.5	37%	0.369	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-62.3	-15	165.7	-62.6	-34	0	0	0	111.2	L266 K287 A288 L289	L266-D285 WeakPolarHBondContact CD1-OD1 3.48Å; L266-D285 WeakPolarHBondContact CD2-OD1 3.4Å; D285-K287 PolarHBondContact O-N 2.88Å; D285-A288 WeakPolarHBondContact O-CB 3.45Å; D285-L289 HydrophobicContact CB-CD1 4.33Å; D285-L289 WeakPolarHBondContact O-CB 3.27Å; D285-L289 WeakPolarHBondContact O-CG 3.09Å; D285-L289 PolarHBondContact O-N 2.87Å; D285-L289 VanDerWaalsContact O-N 3.16Å
286	H	50.4	Low	51.5	Low	125 Å²	125	87.9 Å²	87.9	58%	0.579	50%	0.501	S	S	*	.	H	α-helix	trans	-65.6	-40.1	-175.2	-161.6	-35.6	0	0	0	113.3	P283 R284 A288 L290	P283-H286 WeakPolarHBondContact O-CB 3.22Å; P283-H286 PolarHBondContact O-N 2.99Å; R284-H286 PolarHBondContact O-N 2.83Å; R284-H286 VanDerWaalsContact O-N 3.09Å; H286-A288 PolarHBondContact O-N 3.41Å; H286-L290 WeakPolarHBondContact O-CA 3.32Å; H286-L290 WeakPolarHBondContact O-CB 3.43Å; H286-L290 PolarHBondContact O-N 2.88Å
287	K	53.5	Low	53.5	Low	122 Å²	122	88 Å²	88	53%	0.53	48%	0.484	S	S	.	.	H	α-helix	trans	-70.7	-23.6	-172	-157.4	178.3	-169.4	178.2	0	113.5	T265 D285 L290	T265-K287 HydrophobicContact CG2-CB 3.87Å; T265-K287 HydrophobicContact CG2-CD 3.92Å; T265-K287 HydrophobicContact CG2-CG 3.98Å; D285-K287 PolarHBondContact O-N 2.88Å; K287-L290 WeakPolarHBondContact O-CB 3.33Å
288	A	54.4	Low	55.5	Low	7 Å²	7	87.8 Å²	87.8	6%	0.058	47%	0.465	C	S	.	.	H	α-helix	trans	-86	-53.3	-176.4	0	0	0	0	0	111.3	V262 D285 H286 L290 G291	V262-A288 HydrophobicContact CB-CB 3.51Å; V262-A288 HydrophobicContact CG1-CB 3.57Å; V262-A288 VanDerWaalsContact CG2-C 3.45Å; V262-A288 HydrophobicContact CG2-CB 3.62Å; V262-A288 VanDerWaalsContact O-CB 3.25Å; V262-A288 WeakPolarHBondContact O-CB 3.36Å; D285-A288 WeakPolarHBondContact O-CB 3.45Å; H286-A288 PolarHBondContact O-N 3.41Å; A288-L290 PolarHBondContact O-N 2.85Å; A288-G291 PolarHBondContact O-N 2.87Å
289	L	55.3	Low	57.7	Low	81 Å²	81	81.8 Å²	81.8	42%	0.424	44%	0.437	S	S	.	.	H	α-helix	trans	-57.8	-30.3	166	-71.1	168.9	0	0	0	111	D285 G291 L292 V293	D285-L289 HydrophobicContact CB-CD1 4.33Å; D285-L289 WeakPolarHBondContact O-CB 3.27Å; D285-L289 WeakPolarHBondContact O-CG 3.09Å; D285-L289 PolarHBondContact O-N 2.87Å; D285-L289 VanDerWaalsContact O-N 3.16Å; L289-G291 PolarHBondContact O-N 2.91Å; L289-L292 PolarHBondContact O-N 2.75Å; L289-V293 WeakPolarHBondContact O-CB 3.46Å; L289-V293 VanDerWaalsContact O-CG2 3.23Å; L289-V293 WeakPolarHBondContact O-CG2 3.31Å; L289-V293 PolarHBondContact O-N 3.19Å
290	L	62.6	Low	59.9	Low	59 Å²	59	81.5 Å²	81.5	31%	0.309	42%	0.423	S	S	.	.	H	α-helix	trans	-62.8	-28.7	174.6	-177	73.2	0	0	0	112.5	H286 K287 A288 K294	H286-L290 WeakPolarHBondContact O-CA 3.32Å; H286-L290 WeakPolarHBondContact O-CB 3.43Å; H286-L290 PolarHBondContact O-N 2.88Å; K287-L290 WeakPolarHBondContact O-CB 3.33Å; A288-L290 PolarHBondContact O-N 2.85Å; L290-K294 HydrophobicContact CG-CD 4.33Å; L290-K294 WeakPolarHBondContact O-CB 3.48Å; L290-K294 WeakPolarHBondContact O-CD 3.49Å; L290-K294 WeakPolarHBondContact O-CG 3.48Å; L290-K294 PolarHBondContact O-N 2.97Å
291	G	66.8	Low	62.1	Low	24 Å²	24	82.7 Å²	82.7	25%	0.247	42%	0.417	C	S	.	.	H	α-helix	trans	-61.4	-63.2	169.9	0	0	0	0	0	110.1	A288 L289 V293 K294 E295	A288-G291 PolarHBondContact O-N 2.87Å; L289-G291 PolarHBondContact O-N 2.91Å; G291-V293 VanDerWaalsContact C-N 3.28Å; G291-V293 PolarHBondContact O-N 2.99Å; G291-K294 WeakPolarHBondContact O-CA 3.23Å; G291-K294 VanDerWaalsContact O-CB 3.29Å; G291-K294 WeakPolarHBondContact O-CB 3.39Å; G291-K294 PolarHBondContact O-N 3.34Å; G291-E295 PolarHBondContact O-N 3.06Å
292	L	66.4	Low	64.3	Low	30 Å²	30	77.8 Å²	77.8	16%	0.157	39%	0.394	C	S	.	.	H	α-helix	trans	-53.8	-42.6	178.3	-69.3	171.5	0	0	0	112.9	K250 M258 L259 V262 L289 K294 E295 I296	K250-L292 HydrophobicContact CD-CD2 4.3Å; M258-L292 HydrophobicContact CE-CD1 4.18Å; M258-L292 HydrophobicContact CE-CD2 3.64Å; M258-L292 HydrophobicContact CG-CD2 4.45Å; L259-L292 HydrophobicContact CD2-CD1 4.12Å; V262-L292 HydrophobicContact CG2-CD1 4.37Å; L289-L292 PolarHBondContact O-N 2.75Å; L292-K294 VanDerWaalsContact C-N 3.34Å; L292-K294 PolarHBondContact O-N 2.86Å; L292-E295 PolarHBondContact O-N 2.92Å; L292-I296 VanDerWaalsContact O-CG1 3.29Å; L292-I296 WeakPolarHBondContact O-CG1 3.43Å; L292-I296 PolarHBondContact O-N 2.9Å
293	V	69.2	Low	66	Low	65 Å²	65	83.2 Å²	83.2	39%	0.394	41%	0.41	S	S	.	.	H	α-helix	trans	-63.2	-38	175.2	170.2	0	0	0	0	111.6	L289 G291 N297	L289-V293 WeakPolarHBondContact O-CB 3.46Å; L289-V293 VanDerWaalsContact O-CG2 3.23Å; L289-V293 WeakPolarHBondContact O-CG2 3.31Å; L289-V293 PolarHBondContact O-N 3.19Å; G291-V293 VanDerWaalsContact C-N 3.28Å; G291-V293 PolarHBondContact O-N 2.99Å; V293-N297 WeakPolarHBondContact O-CB 3.38Å; V293-N297 PolarHBondContact O-N 2.86Å; V293-N297 PolarHBondContact O-ND2 3.4Å
294	K	73.8	Confident	67.5	Low	107 Å²	107	83.6 Å²	83.6	47%	0.465	41%	0.411	S	S	.	.	H	α-helix	trans	-64.4	-41.8	173.9	-78.7	167.3	176.6	-179.1	0	111.6	L290 G291 L292 N297 R298	L290-K294 HydrophobicContact CG-CD 4.33Å; L290-K294 WeakPolarHBondContact O-CB 3.48Å; L290-K294 WeakPolarHBondContact O-CD 3.49Å; L290-K294 WeakPolarHBondContact O-CG 3.48Å; L290-K294 PolarHBondContact O-N 2.97Å; G291-K294 WeakPolarHBondContact O-CA 3.23Å; G291-K294 VanDerWaalsContact O-CB 3.29Å; G291-K294 WeakPolarHBondContact O-CB 3.39Å; G291-K294 PolarHBondContact O-N 3.34Å; L292-K294 VanDerWaalsContact C-N 3.34Å; L292-K294 PolarHBondContact O-N 2.86Å; K294-N297 PolarHBondContact O-N 2.82Å; K294-R298 WeakPolarHBondContact O-CG 2.75Å; K294-R298 PolarHBondContact O-N 3Å
295	E	71.3	Confident	69	Low	25 Å²	25	81.9 Å²	81.9	12%	0.117	41%	0.408	C	S	.	.	H	α-helix	trans	-67.4	-43.6	176.9	-79.2	79	-115.3	0	0	111.8	K250 G291 L292 N297 R298 C299	K250-E295 IonicContact NZ-OE2 3.57Å; K250-E295 PolarHBondContact NZ-OE2 2.92Å; G291-E295 PolarHBondContact O-N 3.06Å; L292-E295 PolarHBondContact O-N 2.92Å; E295-N297 VanDerWaalsContact C-N 3.34Å; E295-N297 PolarHBondContact O-N 3.06Å; E295-R298 WeakPolarHBondContact O-CB 3.28Å; E295-R298 PolarHBondContact O-N 2.93Å; E295-R298 VanDerWaalsContact O-N 3.1Å; E295-R298 IonicContact OE1-CZ 3.82Å; E295-R298 IonicContact OE1-NH2 2.81Å; E295-R298 PolarHBondContact OE1-NH2 3.38Å; E295-C299 PolarHBondContact O-N 2.83Å; E295-C299 PolarHBondContact O-SG 2.83Å; E295-C299 VanDerWaalsContact O-SG 3.39Å
296	I	73	Confident	70.4	Confident	94 Å²	94	86.1 Å²	86.1	48%	0.482	43%	0.426	S	S	.	.	H	α-helix	trans	-58.1	-47.5	173	-68.4	166.5	0	0	0	110.3	L292 R298 C299 E300	L292-I296 VanDerWaalsContact O-CG1 3.29Å; L292-I296 WeakPolarHBondContact O-CG1 3.43Å; L292-I296 PolarHBondContact O-N 2.9Å; I296-R298 VanDerWaalsContact C-N 3.28Å; I296-R298 PolarHBondContact O-N 3.02Å; I296-C299 WeakPolarHBondContact O-CB 3.26Å; I296-C299 PolarHBondContact O-N 2.8Å; I296-C299 VanDerWaalsContact O-N 3.08Å; I296-E300 HydrophobicContact CG2-CG 4.44Å; I296-E300 PolarHBondContact O-N 3.14Å
297	N	76.9	Confident	71.9	Confident	74 Å²	74	85.5 Å²	85.5	40%	0.396	43%	0.43	S	S	.	.	H	α-helix	trans	-61.6	-34.2	176.8	-76	-20	0	0	0	112.4	V293 K294 E295 K301	V293-N297 WeakPolarHBondContact O-CB 3.38Å; V293-N297 PolarHBondContact O-N 2.86Å; V293-N297 PolarHBondContact O-ND2 3.4Å; K294-N297 PolarHBondContact O-N 2.82Å; E295-N297 VanDerWaalsContact C-N 3.34Å; E295-N297 PolarHBondContact O-N 3.06Å; N297-K301 VanDerWaalsContact O-CG 3.28Å; N297-K301 WeakPolarHBondContact O-CG 3.47Å; N297-K301 PolarHBondContact O-N 3.09Å; N297-K301 VanDerWaalsContact O-N 3.08Å
298	R	79.7	Confident	73.3	Confident	119 Å²	119	83.4 Å²	83.4	45%	0.449	43%	0.428	S	S	.	.	H	α-helix	trans	-65.5	-45.3	172.3	-74.8	-177.5	-135.5	167.8	13.1	110.7	L243 K294 E295 I296 E300 K301 V302	L243-R298 HydrophobicContact CD1-CB 4.47Å; L243-R298 HydrophobicContact CD2-CB 4.29Å; K294-R298 WeakPolarHBondContact O-CG 2.75Å; K294-R298 PolarHBondContact O-N 3Å; E295-R298 WeakPolarHBondContact O-CB 3.28Å; E295-R298 PolarHBondContact O-N 2.93Å; E295-R298 VanDerWaalsContact O-N 3.1Å; E295-R298 IonicContact OE1-CZ 3.82Å; E295-R298 IonicContact OE1-NH2 2.81Å; E295-R298 PolarHBondContact OE1-NH2 3.38Å; I296-R298 VanDerWaalsContact C-N 3.28Å; I296-R298 PolarHBondContact O-N 3.02Å; R298-E300 VanDerWaalsContact C-N 3.34Å; R298-E300 PolarHBondContact O-N 2.75Å; R298-K301 PolarHBondContact O-N 3.44Å; R298-V302 WeakPolarHBondContact O-CG2 3.48Å; R298-V302 PolarHBondContact O-N 3.05Å
299	C	77.4	Confident	74.9	Confident	42 Å²	42	88.3 Å²	88.3	28%	0.284	46%	0.462	S	S	.	.	H	α-helix	trans	-62	-39.7	176.3	-65.3	0	0	0	0	112.5	E295 I296 V302 K303	E295-C299 PolarHBondContact O-N 2.83Å; E295-C299 PolarHBondContact O-SG 2.83Å; E295-C299 VanDerWaalsContact O-SG 3.39Å; I296-C299 WeakPolarHBondContact O-CB 3.26Å; I296-C299 PolarHBondContact O-N 2.8Å; I296-C299 VanDerWaalsContact O-N 3.08Å; C299-V302 PolarHBondContact O-N 3.24Å; C299-K303 PolarHBondContact O-N 2.99Å
300	E	79.7	Confident	76.5	Confident	105 Å²	105	86.1 Å²	86.1	49%	0.491	45%	0.452	S	S	.	.	H	α-helix	trans	-65.1	-40.4	176.3	-74	-173.1	166.1	0	0	112.2	I296 R298 V302 K303	I296-E300 HydrophobicContact CG2-CG 4.44Å; I296-E300 PolarHBondContact O-N 3.14Å; R298-E300 VanDerWaalsContact C-N 3.34Å; R298-E300 PolarHBondContact O-N 2.75Å; E300-V302 PolarHBondContact O-N 3.19Å; E300-K303 WeakPolarHBondContact O-CB 3.13Å; E300-K303 PolarHBondContact O-N 3.26Å; E300-K303 VanDerWaalsContact O-N 3.14Å
301	K	80	Confident	77.7	Confident	154 Å²	154	86.4 Å²	86.4	67%	0.67	46%	0.459	S	S	*	.	H	α-helix	trans	-61.1	-31.9	174.5	-75.8	176.2	-179.9	-171.3	0	113.2	N297 R298 K303 T304	N297-K301 VanDerWaalsContact O-CG 3.28Å; N297-K301 WeakPolarHBondContact O-CG 3.47Å; N297-K301 PolarHBondContact O-N 3.09Å; N297-K301 VanDerWaalsContact O-N 3.08Å; R298-K301 PolarHBondContact O-N 3.44Å; K301-K303 VanDerWaalsContact C-N 3.33Å; K301-T304 PolarHBondContact O-N 2.97Å; K301-T304 PolarHBondContact O-OG1 2.84Å
302	V	80.9	Confident	78.7	Confident	50 Å²	50	91 Å²	91	30%	0.303	48%	0.476	S	S	.	.	H	α-helix	trans	-68	-33.1	177	171.6	0	0	0	0	111.6	L240 L243 R298 C299 E300 T304 M305	L240-V302 HydrophobicContact CD1-CG1 4.38Å; L240-V302 HydrophobicContact CD2-CB 4.15Å; L240-V302 HydrophobicContact CD2-CG1 3.44Å; L240-V302 VanDerWaalsContact CD2-CG1 3.44Å; L240-V302 HydrophobicContact CD2-CG2 3.51Å; L243-V302 HydrophobicContact CD2-CG2 4.11Å; R298-V302 WeakPolarHBondContact O-CG2 3.48Å; R298-V302 PolarHBondContact O-N 3.05Å; C299-V302 PolarHBondContact O-N 3.24Å; E300-V302 PolarHBondContact O-N 3.19Å; V302-T304 PolarHBondContact O-N 3.36Å; V302-M305 VanDerWaalsContact O-CB 3.24Å; V302-M305 WeakPolarHBondContact O-CB 3.47Å; V302-M305 PolarHBondContact O-N 3.35Å
303	K	77.9	Confident	79.5	Confident	179 Å²	179	97.3 Å²	97.3	78%	0.778	51%	0.505	S	S	*	.	H	α-helix	trans	-61.5	-26.4	178.7	-68.3	179.2	179.1	173.8	0	113.1	C299 E300 K301	C299-K303 PolarHBondContact O-N 2.99Å; E300-K303 WeakPolarHBondContact O-CB 3.13Å; E300-K303 PolarHBondContact O-N 3.26Å; E300-K303 VanDerWaalsContact O-N 3.14Å; K301-K303 VanDerWaalsContact C-N 3.33Å
304	T	75	Confident	79.9	Confident	118 Å²	118	98.5 Å²	98.5	72%	0.724	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	9.1	177.1	60.9	0	0	0	0	112.8	K301 V302	K301-T304 PolarHBondContact O-N 2.97Å; K301-T304 PolarHBondContact O-OG1 2.84Å; V302-T304 PolarHBondContact O-N 3.36Å
305	M	77.9	Confident	79.5	Confident	71 Å²	71	98.1 Å²	98.1	35%	0.35	51%	0.509	S	S	.	.			trans	-78.3	125.6	-178.5	-171.9	171.6	65.2	0	0	110.5	K236 L240 V302	K236-M305 HydrophobicContact CD-SD 4.37Å; L240-M305 HydrophobicContact CD1-CE 3.7Å; L240-M305 HydrophobicContact CD2-CE 4.26Å; L240-M305 HydrophobicContact CG-CE 4.24Å; V302-M305 VanDerWaalsContact O-CB 3.24Å; V302-M305 WeakPolarHBondContact O-CB 3.47Å; V302-M305 PolarHBondContact O-N 3.35Å
306	E	77.2	Confident	78.9	Confident	158 Å²	158	103.1 Å²	103.1	74%	0.738	53%	0.53	S	S	*	.			trans	-82.1	140	174.3	-66.5	-176.2	169.1	0	0	111.5
307	V	81.1	Confident	77.9	Confident	111 Å²	111	100.8 Å²	100.8	67%	0.673	52%	0.518	S	S	*	.			trans	-101.4	107.7	169.6	-179	0	0	0	0	107.4	L233	L233-V307 HydrophobicContact CD2-CG1 3.89Å
308	T	83.4	Confident	76.6	Confident	78 Å²	78	100.9 Å²	100.9	48%	0.479	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-83.5	126.2	177.2	34	0	0	0	0	110.9	N229	N229-T308 PolarHBondContact ND2-O 3.46Å; N229-T308 VanDerWaalsContact ND2-O 3.16Å
309	S	87	Confident	75.2	Confident	111 Å²	111	99.7 Å²	99.7	78%	0.776	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-93.3	149.7	167.1	56.4	0	0	0	0	110.4
310	V	88.9	Confident	73.8	Confident	35 Å²	35	103.3 Å²	103.3	21%	0.212	54%	0.542	C	S	.	.	P	Polyproline II helix	trans	-91.7	132.5	171.9	174.9	0	0	0	0	108	R225 L226 N229	R225-V310 HydrophobicContact CB-CG1 4.24Å; L226-V310 HydrophobicContact CD2-CB 3.89Å; L226-V310 HydrophobicContact CD2-CG1 4.06Å; L226-V310 HydrophobicContact CG-CG1 4.24Å; N229-V310 HydrophobicContact CB-CG2 3.59Å
311	S	87.8	Confident	72.1	Confident	64 Å²	64	99.9 Å²	99.9	45%	0.448	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-75.6	145.3	173.9	-177.2	0	0	0	0	111.2	E313	S311-E313 PolarHBondContact OG-N 3.12Å
312	I	88.6	Confident	70.5	Confident	121 Å²	121	94.1 Å²	94.1	62%	0.621	50%	0.504	S	S	*	.			trans	-108.4	14.5	173.4	62.8	168.7	0	0	0	112	I222 L226 L314	I222-I312 HydrophobicContact CG2-CG2 4.29Å; L226-I312 HydrophobicContact CD1-CG2 4.1Å; L226-I312 HydrophobicContact CD2-CG2 4.49Å; I312-L314 PolarHBondContact O-N 3.05Å
313	E	82.5	Confident	69.2	Low	162 Å²	162	102.3 Å²	102.3	76%	0.757	53%	0.529	S	S	*	.			trans	-69.1	117.7	177.1	-71.4	-173.1	168.4	0	0	110.6	S311	S311-E313 PolarHBondContact OG-N 3.12Å
314	L	77.2	Confident	67.8	Low	91 Å²	91	100.6 Å²	100.6	48%	0.476	52%	0.524	S	S	.	.			trans	-70.8	146.4	173.4	-60.4	173.4	0	0	0	111.4	L215 E218 I222 I312 K316	L215-L314 HydrophobicContact CD1-CD1 4.23Å; L215-L314 HydrophobicContact CD1-CD2 4.38Å; E218-L314 HydrophobicContact CG-CD2 4.3Å; E218-L314 WeakPolarHBondContact OE1-CA 3.42Å; I222-L314 HydrophobicContact CD1-CD2 3.87Å; I312-L314 PolarHBondContact O-N 3.05Å; L314-K316 PolarHBondContact O-N 3.12Å
315	E	67.1	Low	66.5	Low	99 Å²	99	96 Å²	96	46%	0.463	49%	0.494	S	S	.	.			trans	-61.3	96.5	171.3	-73.2	-166	176.3	0	0	110.2	E218 N317	E218-E315 PolarHBondContact OE1-N 2.9Å; E315-N317 PolarHBondContact O-N 3Å
316	K	58.6	Low	65.3	Low	129 Å²	129	95.2 Å²	95.2	56%	0.561	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	11.2	177.1	-57.6	-175.9	180	175.1	0	114.5	L314 F318	L314-K316 PolarHBondContact O-N 3.12Å; K316-F318 PolarHBondContact O-N 2.95Å; K316-F318 VanDerWaalsContact O-N 3.12Å
317	N	50.8	Low	64	Low	45 Å²	45	89.4 Å²	89.4	24%	0.241	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-15	-174.3	-63.9	-25.1	0	0	0	112.4	E315	E315-N317 PolarHBondContact O-N 3Å
318	F	50.6	Low	62.5	Low	76 Å²	76	85.2 Å²	85.2	33%	0.333	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-23.5	-174.1	-52.3	-70.6	0	0	0	114.9	L211 R214 K316	L211-F318 HydrophobicContact CD2-CB 4.29Å; L211-F318 HydrophobicContact CD2-CD1 3.62Å; L211-F318 HydrophobicContact CD2-CE1 4.28Å; L211-F318 HydrophobicContact CD2-CG 4.03Å; R214-F318 VanDerWaalsContact CZ-CZ 3.4Å; K316-F318 PolarHBondContact O-N 2.95Å; K316-F318 VanDerWaalsContact O-N 3.12Å
319	S	50	Low	61.1	Low	95 Å²	95	85 Å²	85	66%	0.664	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-21.2	-173.4	-50.4	0	0	0	0	113.8
320	N	48.2	Very low	59.5	Low	117 Å²	117	83.6 Å²	83.6	63%	0.626	41%	0.411	S	S	*	.	S	Bend	trans	-106.3	-0.3	-169.7	-73.5	-0.3	0	0	0	114.7	P322	N320-P322 WeakPolarHBondContact O-CD 3.36Å
321	F	43.9	Very low	57.9	Low	33 Å²	33	85.1 Å²	85.1	15%	0.145	42%	0.418	C	S	.	.	S	Bend	trans	-76.5	124.7	167.7	-145.6	-133	0	0	0	107.6	R323 Y325 Y472 R477	F321-R323 PolarHBondContact O-N 2.98Å; F321-Y325 HydrophobicContact CD1-CD1 4.3Å; F321-Y325 HydrophobicContact CD1-CG 4.09Å; F321-Y325 VanDerWaalsContact CE1-CB 3.46Å; F321-Y325 AromaticContact CE1-CD1 3.29Å; F321-Y325 HydrophobicContact CE1-CD1 3.29Å; F321-Y325 AromaticContact CE1-CD2 3.99Å; F321-Y325 HydrophobicContact CE1-CD2 3.99Å; F321-Y325 AromaticContact CE1-CE1 3.96Å; F321-Y325 HydrophobicContact CE1-CE1 3.96Å; F321-Y325 AromaticContact CE1-CG 3.29Å; F321-Y325 HydrophobicContact CE1-CG 3.29Å; F321-Y325 AromaticContact CZ-CD1 3.81Å; F321-Y325 HydrophobicContact CZ-CD1 3.81Å; F321-Y325 AromaticContact CZ-CD2 3.92Å; F321-Y325 HydrophobicContact CZ-CD2 3.92Å; F321-Y325 HydrophobicContact CZ-CE1 4.09Å; F321-Y325 HydrophobicContact CZ-CE2 4.2Å; F321-Y325 AromaticContact CZ-CG 3.7Å; F321-Y325 HydrophobicContact CZ-CG 3.7Å; F321-Y472 AromaticContact CE2-CD1 3.95Å; F321-Y472 HydrophobicContact CE2-CD1 3.95Å; F321-R477 WeakPolarHBondContact CB-O 3.37Å; F321-R477 HydrophobicContact CD1-CB 4.41Å; F321-R477 HydrophobicContact CD2-CB 4.37Å; F321-R477 WeakPolarHBondContact CD2-O 3.47Å; F321-R477 HydrophobicContact CE1-CB 4.11Å; F321-R477 HydrophobicContact CE2-CB 4.07Å; F321-R477 VanDerWaalsContact CE2-O 3.25Å; F321-R477 WeakPolarHBondContact CE2-O 3.38Å; F321-R477 WeakPolarHBondContact CG-O 3.45Å; F321-R477 HydrophobicContact CZ-CB 3.93Å
322	P	47	Very low	56.3	Low	33 Å²	33	82.4 Å²	82.4	21%	0.214	40%	0.398	C	S	.	.			trans	-54.5	115.6	174.5	-23.5	34.2	0	0	0	106.4	N320 Q324 Y325 Y472	N320-P322 WeakPolarHBondContact O-CD 3.36Å; P322-Q324 HydrophobicContact CB-CB 4.07Å; P322-Q324 CarbonylContact O-C 3.55Å; P322-Q324 PolarHBondContact O-N 3.39Å; P322-Y325 WeakPolarHBondContact O-CB 3.45Å; P322-Y325 PolarHBondContact O-N 3.09Å; P322-Y472 HydrophobicContact CG-CE1 4.05Å
323	R	52.2	Low	54.9	Low	222 Å²	222	83.3 Å²	83.3	84%	0.838	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-21.6	177.1	-64.8	178.4	179.6	-167.7	-2.6	111.6	F321 Y325 F326	F321-R323 PolarHBondContact O-N 2.98Å; R323-Y325 PolarHBondContact O-N 2.64Å; R323-Y325 VanDerWaalsContact O-N 3.14Å; R323-F326 PolarHBondContact O-N 3.09Å
324	Q	48.6	Very low	54	Low	144 Å²	144	83.6 Å²	83.6	67%	0.673	40%	0.399	S	S	*	.	H	α-helix	trans	-44.9	-34.7	163.2	-65.8	161	3.6	0	0	112.6	P322 F326 A327 L328	P322-Q324 HydrophobicContact CB-CB 4.07Å; P322-Q324 CarbonylContact O-C 3.55Å; P322-Q324 PolarHBondContact O-N 3.39Å; Q324-F326 VanDerWaalsContact C-N 3.33Å; Q324-F326 PolarHBondContact O-N 2.81Å; Q324-A327 CarbonylContact O-C 3.59Å; Q324-A327 PolarHBondContact O-N 2.84Å; Q324-L328 WeakPolarHBondContact O-CA 3.31Å; Q324-L328 WeakPolarHBondContact O-CB 3.37Å; Q324-L328 PolarHBondContact O-N 3.48Å
325	Y	48.8	Very low	53.4	Low	20 Å²	20	80.8 Å²	80.8	8%	0.078	38%	0.384	C	S	.	.	H	α-helix	trans	-64.7	-27	-178.6	-157.8	-88.2	0	0	0	114.3	F321 P322 R323 L328 R329 L332 Y394	F321-Y325 HydrophobicContact CD1-CD1 4.3Å; F321-Y325 HydrophobicContact CD1-CG 4.09Å; F321-Y325 VanDerWaalsContact CE1-CB 3.46Å; F321-Y325 AromaticContact CE1-CD1 3.29Å; F321-Y325 HydrophobicContact CE1-CD1 3.29Å; F321-Y325 AromaticContact CE1-CD2 3.99Å; F321-Y325 HydrophobicContact CE1-CD2 3.99Å; F321-Y325 AromaticContact CE1-CE1 3.96Å; F321-Y325 HydrophobicContact CE1-CE1 3.96Å; F321-Y325 AromaticContact CE1-CG 3.29Å; F321-Y325 HydrophobicContact CE1-CG 3.29Å; F321-Y325 AromaticContact CZ-CD1 3.81Å; F321-Y325 HydrophobicContact CZ-CD1 3.81Å; F321-Y325 AromaticContact CZ-CD2 3.92Å; F321-Y325 HydrophobicContact CZ-CD2 3.92Å; F321-Y325 HydrophobicContact CZ-CE1 4.09Å; F321-Y325 HydrophobicContact CZ-CE2 4.2Å; F321-Y325 AromaticContact CZ-CG 3.7Å; F321-Y325 HydrophobicContact CZ-CG 3.7Å; P322-Y325 WeakPolarHBondContact O-CB 3.45Å; P322-Y325 PolarHBondContact O-N 3.09Å; R323-Y325 PolarHBondContact O-N 2.64Å; R323-Y325 VanDerWaalsContact O-N 3.14Å; Y325-L328 VanDerWaalsContact CA-CB 3.48Å; Y325-L328 HydrophobicContact CD2-CD2 3.99Å; Y325-L328 HydrophobicContact CE2-CD2 4.4Å; Y325-L328 CarbonylContact O-C 3.56Å; Y325-L328 PolarHBondContact O-N 3.28Å; Y325-R329 HydrophobicContact CD1-CG 3.93Å; Y325-R329 HydrophobicContact CE1-CG 3.8Å; Y325-R329 WeakPolarHBondContact O-CG 3.43Å; Y325-R329 PolarHBondContact O-N 3.32Å; Y325-L332 HydrophobicContact CD2-CD1 4.3Å; Y325-L332 HydrophobicContact CE1-CD1 4.16Å; Y325-L332 HydrophobicContact CE2-CD1 3.59Å; Y325-Y394 HydrophobicContact CE2-CE2 4.37Å; Y325-Y394 PolarHBondContact OH-OH 3.06Å
326	F	51.6	Low	53.3	Low	56 Å²	56	79.4 Å²	79.4	25%	0.246	38%	0.379	C	S	.	.	H	α-helix	trans	-71	-46.4	173	-102.5	-77.7	0	0	0	111.5	L204 E207 R323 Q324 L328 R329	L204-F326 HydrophobicContact CD2-CB 3.83Å; L204-F326 HydrophobicContact CD2-CG 4.47Å; E207-F326 HydrophobicContact CB-CE1 4.48Å; E207-F326 HydrophobicContact CB-CZ 4.27Å; E207-F326 HydrophobicContact CG-CD1 4.18Å; E207-F326 HydrophobicContact CG-CE1 3.45Å; E207-F326 VanDerWaalsContact CG-CE1 3.45Å; E207-F326 HydrophobicContact CG-CE2 4.15Å; E207-F326 HydrophobicContact CG-CZ 3.45Å; E207-F326 VanDerWaalsContact CG-CZ 3.45Å; E207-F326 WeakPolarHBondContact OE1-CZ 3.46Å; E207-F326 WeakPolarHBondContact OE2-CZ 3.11Å; R323-F326 PolarHBondContact O-N 3.09Å; Q324-F326 VanDerWaalsContact C-N 3.33Å; Q324-F326 PolarHBondContact O-N 2.81Å; F326-L328 PolarHBondContact O-N 3.46Å; F326-R329 PolarHBondContact O-N 3.37Å
327	A	51.1	Low	53.7	Low	35 Å²	35	74 Å²	74	29%	0.289	36%	0.359	S	S	.	.	H	α-helix	trans	-61.3	-38.7	168.6	0	0	0	0	0	110.6	Q324 R329 I331	Q324-A327 CarbonylContact O-C 3.59Å; Q324-A327 PolarHBondContact O-N 2.84Å; A327-R329 PolarHBondContact O-N 2.85Å; A327-I331 WeakPolarHBondContact O-CD1 3.3Å; A327-I331 VanDerWaalsContact O-CG1 3.27Å; A327-I331 WeakPolarHBondContact O-CG1 3.28Å; A327-I331 PolarHBondContact O-N 2.99Å
328	L	48.5	Very low	55.1	Low	23 Å²	23	77.5 Å²	77.5	12%	0.12	38%	0.378	C	S	.	.	H	α-helix	trans	-62.9	-42.6	177.5	-143.6	72	0	0	0	108.1	Q324 Y325 F326 K330 I331 L332 F461	Q324-L328 WeakPolarHBondContact O-CA 3.31Å; Q324-L328 WeakPolarHBondContact O-CB 3.37Å; Q324-L328 PolarHBondContact O-N 3.48Å; Y325-L328 VanDerWaalsContact CA-CB 3.48Å; Y325-L328 HydrophobicContact CD2-CD2 3.99Å; Y325-L328 HydrophobicContact CE2-CD2 4.4Å; Y325-L328 CarbonylContact O-C 3.56Å; Y325-L328 PolarHBondContact O-N 3.28Å; F326-L328 PolarHBondContact O-N 3.46Å; L328-K330 VanDerWaalsContact C-N 3.35Å; L328-K330 PolarHBondContact O-N 3.39Å; L328-I331 CarbonylContact O-C 3.59Å; L328-I331 VanDerWaalsContact O-C 3.31Å; L328-I331 WeakPolarHBondContact O-CA 3.39Å; L328-I331 WeakPolarHBondContact O-CB 3.43Å; L328-I331 PolarHBondContact O-N 3.2Å; L328-L332 HydrophobicContact CB-CD1 4.34Å; L328-L332 HydrophobicContact CB-CG 3.98Å; L328-L332 HydrophobicContact CD2-CD1 4.06Å; L328-L332 HydrophobicContact CD2-CD2 3.64Å; L328-L332 HydrophobicContact CD2-CG 3.89Å; L328-L332 HydrophobicContact CG-CD1 4.19Å; L328-L332 HydrophobicContact CG-CD2 3.59Å; L328-L332 HydrophobicContact CG-CG 3.58Å; L328-L332 WeakPolarHBondContact O-CA 3.45Å; L328-L332 WeakPolarHBondContact O-CB 3.22Å; L328-L332 WeakPolarHBondContact O-CG 3.35Å; L328-L332 PolarHBondContact O-N 2.77Å; L328-F461 HydrophobicContact CD1-CE2 4.45Å; L328-F461 HydrophobicContact CD1-CZ 4.1Å; L328-F461 HydrophobicContact CD2-CD2 4.37Å; L328-F461 HydrophobicContact CD2-CE2 4.37Å; L328-F461 HydrophobicContact CD2-CG 4.48Å; L328-F461 HydrophobicContact CD2-CZ 4.48Å
329	R	53.3	Low	56.8	Low	73 Å²	73	74.2 Å²	74.2	28%	0.275	36%	0.364	S	S	.	.	H	α-helix	trans	-50.2	-48	-178.3	-88.8	-179.8	168.5	-160.7	-6.6	113.8	Y325 F326 A327 L332 K333	Y325-R329 HydrophobicContact CD1-CG 3.93Å; Y325-R329 HydrophobicContact CE1-CG 3.8Å; Y325-R329 WeakPolarHBondContact O-CG 3.43Å; Y325-R329 PolarHBondContact O-N 3.32Å; F326-R329 PolarHBondContact O-N 3.37Å; A327-R329 PolarHBondContact O-N 2.85Å; R329-L332 PolarHBondContact O-N 3.07Å; R329-K333 PolarHBondContact O-N 2.81Å; R329-K333 VanDerWaalsContact O-N 3.15Å
330	K	55.1	Low	58.9	Low	82 Å²	82	71.3 Å²	71.3	36%	0.357	34%	0.342	S	S	.	.	H	α-helix	trans	-66.2	-41.2	175.6	-96	-175.9	175.7	179.8	0	111.5	L200 L328	L200-K330 HydrophobicContact CD1-CD 4.45Å; L328-K330 VanDerWaalsContact C-N 3.35Å; L328-K330 PolarHBondContact O-N 3.39Å
331	I	54.1	Low	61.3	Low	68 Å²	68	65.8 Å²	65.8	35%	0.349	31%	0.313	S	S	.	.	H	α-helix	trans	-68.3	-38.4	176.3	-60	168.3	0	0	0	110.5	A327 L328 K333 Q334 L335	A327-I331 WeakPolarHBondContact O-CD1 3.3Å; A327-I331 VanDerWaalsContact O-CG1 3.27Å; A327-I331 WeakPolarHBondContact O-CG1 3.28Å; A327-I331 PolarHBondContact O-N 2.99Å; L328-I331 CarbonylContact O-C 3.59Å; L328-I331 VanDerWaalsContact O-C 3.31Å; L328-I331 WeakPolarHBondContact O-CA 3.39Å; L328-I331 WeakPolarHBondContact O-CB 3.43Å; L328-I331 PolarHBondContact O-N 3.2Å; I331-K333 VanDerWaalsContact C-N 3.34Å; I331-K333 PolarHBondContact O-N 3.01Å; I331-Q334 CarbonylContact O-C 3.56Å; I331-Q334 VanDerWaalsContact O-CA 3.3Å; I331-Q334 WeakPolarHBondContact O-CA 3.26Å; I331-Q334 VanDerWaalsContact O-CB 3.24Å; I331-Q334 WeakPolarHBondContact O-CB 3.27Å; I331-Q334 PolarHBondContact O-N 2.94Å; I331-L335 HydrophobicContact CG2-CD1 3.58Å; I331-L335 HydrophobicContact CG2-CD2 4.5Å; I331-L335 HydrophobicContact CG2-CG 3.94Å; I331-L335 WeakPolarHBondContact O-CG 3.5Å; I331-L335 PolarHBondContact O-N 2.85Å; I331-L335 VanDerWaalsContact O-N 3.09Å
332	L	54.6	Low	63.8	Low	7 Å²	7	65 Å²	65	4%	0.037	31%	0.31	C	S	.	.	H	α-helix	trans	-65.9	-40.4	-173.7	-81.9	-173.4	0	0	0	108.4	Y325 L328 R329 Q334 L335 I336 Y394 F461	Y325-L332 HydrophobicContact CD2-CD1 4.3Å; Y325-L332 HydrophobicContact CE1-CD1 4.16Å; Y325-L332 HydrophobicContact CE2-CD1 3.59Å; L328-L332 HydrophobicContact CB-CD1 4.34Å; L328-L332 HydrophobicContact CB-CG 3.98Å; L328-L332 HydrophobicContact CD2-CD1 4.06Å; L328-L332 HydrophobicContact CD2-CD2 3.64Å; L328-L332 HydrophobicContact CD2-CG 3.89Å; L328-L332 HydrophobicContact CG-CD1 4.19Å; L328-L332 HydrophobicContact CG-CD2 3.59Å; L328-L332 HydrophobicContact CG-CG 3.58Å; L328-L332 WeakPolarHBondContact O-CA 3.45Å; L328-L332 WeakPolarHBondContact O-CB 3.22Å; L328-L332 WeakPolarHBondContact O-CG 3.35Å; L328-L332 PolarHBondContact O-N 2.77Å; R329-L332 PolarHBondContact O-N 3.07Å; L332-Q334 PolarHBondContact O-N 3.28Å; L332-Q334 VanDerWaalsContact O-N 3.12Å; L332-L335 HydrophobicContact CD2-CD1 4.43Å; L332-L335 CarbonylContact O-C 3.6Å; L332-L335 VanDerWaalsContact O-C 3.31Å; L332-L335 WeakPolarHBondContact O-CA 3.16Å; L332-L335 PolarHBondContact O-N 2.87Å; L332-I336 WeakPolarHBondContact O-CG1 3.34Å; L332-I336 PolarHBondContact O-N 3.27Å; L332-Y394 HydrophobicContact CD1-CD1 4.05Å; L332-Y394 HydrophobicContact CD1-CD2 4.37Å; L332-Y394 HydrophobicContact CD1-CE1 4.11Å; L332-Y394 HydrophobicContact CD1-CE2 4.41Å; L332-Y394 HydrophobicContact CD1-CG 4.19Å; L332-Y394 HydrophobicContact CD2-CD1 4.11Å; L332-Y394 HydrophobicContact CD2-CD2 3.95Å; L332-Y394 HydrophobicContact CD2-CG 3.58Å; L332-Y394 HydrophobicContact CG-CG 4.42Å; L332-F461 HydrophobicContact CD2-CD2 4.06Å; L332-F461 HydrophobicContact CD2-CE2 4.12Å
333	K	59.7	Low	66.2	Low	139 Å²	139	65.7 Å²	65.7	60%	0.604	31%	0.314	S	S	*	.	H	α-helix	trans	-52.2	-31.7	170.9	-74.6	-165.1	175.8	-157.3	0	112.3	R329 I331 D516	R329-K333 PolarHBondContact O-N 2.81Å; R329-K333 VanDerWaalsContact O-N 3.15Å; I331-K333 VanDerWaalsContact C-N 3.34Å; I331-K333 PolarHBondContact O-N 3.01Å; K333-D516 WeakPolarHBondContact CE-OD1 3.39Å; K333-D516 IonicContact NZ-OD1 3.29Å; K333-D516 PolarHBondContact NZ-OD1 3.23Å
334	Q	62.6	Low	68.2	Low	169 Å²	169	60.2 Å²	60.2	79%	0.79	30%	0.298	S	S	*	.	H	α-helix	trans	-87.7	-16	173.8	-54.1	179.2	-3.4	0	0	113.6	I331 L332	I331-Q334 CarbonylContact O-C 3.56Å; I331-Q334 VanDerWaalsContact O-CA 3.3Å; I331-Q334 WeakPolarHBondContact O-CA 3.26Å; I331-Q334 VanDerWaalsContact O-CB 3.24Å; I331-Q334 WeakPolarHBondContact O-CB 3.27Å; I331-Q334 PolarHBondContact O-N 2.94Å; L332-Q334 PolarHBondContact O-N 3.28Å; L332-Q334 VanDerWaalsContact O-N 3.12Å
335	L	64.2	Low	70.5	Confident	31 Å²	31	53.6 Å²	53.6	16%	0.162	27%	0.267	C	S	.	.	H	α-helix	trans	-103.4	3.6	179.4	-53.5	178.6	0	0	0	113.4	I331 L332 A337 R392 H393 Y394 F461	I331-L335 HydrophobicContact CG2-CD1 3.58Å; I331-L335 HydrophobicContact CG2-CD2 4.5Å; I331-L335 HydrophobicContact CG2-CG 3.94Å; I331-L335 WeakPolarHBondContact O-CG 3.5Å; I331-L335 PolarHBondContact O-N 2.85Å; I331-L335 VanDerWaalsContact O-N 3.09Å; L332-L335 HydrophobicContact CD2-CD1 4.43Å; L332-L335 CarbonylContact O-C 3.6Å; L332-L335 VanDerWaalsContact O-C 3.31Å; L332-L335 WeakPolarHBondContact O-CA 3.16Å; L332-L335 PolarHBondContact O-N 2.87Å; L335-A337 PolarHBondContact O-N 2.87Å; L335-A337 VanDerWaalsContact O-N 3.11Å; L335-R392 HydrophobicContact CD1-CB 3.57Å; L335-R392 HydrophobicContact CD2-CB 3.87Å; L335-R392 WeakPolarHBondContact CD2-O 3.42Å; L335-R392 HydrophobicContact CG-CB 4.23Å; L335-H393 WeakPolarHBondContact O-CA 2.96Å; L335-Y394 PolarHBondContact O-N 3.04Å; L335-F461 HydrophobicContact CD1-CE2 3.79Å; L335-F461 HydrophobicContact CD1-CZ 4.29Å
336	I	67	Low	72.7	Confident	70 Å²	70	52.9 Å²	52.9	36%	0.359	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-66.7	113.1	178.7	-49.9	-175.7	0	0	0	107.4	L332 P514	L332-I336 WeakPolarHBondContact O-CG1 3.34Å; L332-I336 PolarHBondContact O-N 3.27Å; I336-P514 HydrophobicContact CB-CG 4.5Å; I336-P514 HydrophobicContact CD1-CB 4.14Å; I336-P514 HydrophobicContact CD1-CG 3.67Å; I336-P514 HydrophobicContact CG1-CG 3.9Å; I336-P514 HydrophobicContact CG2-CG 3.89Å
337	A	67	Low	74.8	Confident	17 Å²	17	50.9 Å²	50.9	14%	0.14	26%	0.257	C	S	.	.			trans	-80.7	134.8	171.6	0	0	0	0	0	109.4	L335 V339 F388 H393 Y394	L335-A337 PolarHBondContact O-N 2.87Å; L335-A337 VanDerWaalsContact O-N 3.11Å; A337-V339 HydrophobicContact CB-CG2 3.71Å; A337-V339 PolarHBondContact O-N 3Å; A337-F388 HydrophobicContact CB-CE1 3.93Å; A337-F388 HydrophobicContact CB-CZ 3.59Å; A337-H393 HydrophobicContact CB-CB 4.4Å; A337-Y394 PolarHBondContact N-O 2.75Å; A337-Y394 VanDerWaalsContact N-O 3.14Å
338	D	78.8	Confident	76.9	Confident	118 Å²	118	49.3 Å²	49.3	63%	0.631	24%	0.244	S	C	*	.			trans	-76.7	76.3	171.3	-173.5	17.8	0	0	0	110.4	T340 K357	D338-T340 PolarHBondContact O-N 2.98Å; D338-K357 IonicContact OD1-NZ 2.63Å; D338-K357 PolarHBondContact OD1-NZ 3.14Å
339	V	86.6	Confident	79.1	Confident	7 Å²	7	49.3 Å²	49.3	4%	0.042	24%	0.244	C	C	.	.			trans	-79.5	117.6	-174.3	-169.3	0	0	0	0	110.3	A337 K357 A384 W395 P493 F495 I511	A337-V339 HydrophobicContact CB-CG2 3.71Å; A337-V339 PolarHBondContact O-N 3Å; V339-K357 PolarHBondContact O-NZ 2.93Å; V339-A384 HydrophobicContact CG1-CB 3.42Å; V339-A384 VanDerWaalsContact CG1-CB 3.42Å; V339-W395 HydrophobicContact CB-CB 4.48Å; V339-W395 HydrophobicContact CG2-CB 3.75Å; V339-W395 HydrophobicContact CG2-CD2 4.2Å; V339-W395 HydrophobicContact CG2-CE3 4.45Å; V339-W395 HydrophobicContact CG2-CG 3.91Å; V339-P493 HydrophobicContact CG1-CB 4.27Å; V339-P493 HydrophobicContact CG1-CG 4.4Å; V339-F495 HydrophobicContact CG1-CE2 4.29Å; V339-F495 HydrophobicContact CG1-CZ 3.91Å; V339-I511 HydrophobicContact CB-CD1 4.26Å; V339-I511 HydrophobicContact CB-CG2 4.25Å; V339-I511 HydrophobicContact CG1-CD1 3.87Å
340	T	95.1	Very high	81.1	Confident	34 Å²	34	46.1 Å²	46.1	21%	0.209	23%	0.232	C	C	.	.			trans	-119.4	148.5	172	55.9	0	0	0	0	110.1	D338 K357 A384 T385	D338-T340 PolarHBondContact O-N 2.98Å; T340-K357 HydrophobicContact CG2-CD 4.25Å; T340-A384 CarbonylContact O-C 3.52Å; T340-A384 WeakPolarHBondContact O-CA 3.3Å; T340-T385 PolarHBondContact O-N 2.75Å; T340-T385 PolarHBondContact O-OG1 3.01Å; T340-T385 PolarHBondContact OG1-OG1 2.8Å; T340-T385 VanDerWaalsContact OG1-OG1 3.11Å
341	L	97.9	Very high	83	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.005	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-79.7	136.8	-177.2	-60.7	173.1	0	0	0	111.6	P343 L352 R356 V359 V382 F495 I511	L341-P343 WeakPolarHBondContact O-CD 3.34Å; L341-L352 HydrophobicContact CB-CD1 4.19Å; L341-L352 HydrophobicContact CB-CD2 4.23Å; L341-L352 HydrophobicContact CD1-CD2 3.96Å; L341-R356 HydrophobicContact CB-CB 4.5Å; L341-R356 WeakPolarHBondContact CB-O 3.49Å; L341-R356 VanDerWaalsContact CG-O 3.28Å; L341-R356 WeakPolarHBondContact CG-O 3.4Å; L341-R356 PolarHBondContact N-O 3.05Å; L341-R356 WeakPolarHBondContact O-CD 3.31Å; L341-V359 HydrophobicContact CD1-CB 3.73Å; L341-V359 HydrophobicContact CD1-CG1 3.89Å; L341-V382 HydrophobicContact CB-CG2 4.28Å; L341-V382 HydrophobicContact CD2-CG1 3.96Å; L341-V382 HydrophobicContact CD2-CG2 4.49Å; L341-F495 HydrophobicContact CD2-CB 4.43Å; L341-F495 HydrophobicContact CD2-CD2 3.32Å; L341-F495 HydrophobicContact CD2-CE2 3.63Å; L341-F495 HydrophobicContact CD2-CG 3.86Å; L341-F495 HydrophobicContact CD2-CZ 4.37Å; L341-I511 HydrophobicContact CD2-CD1 3.71Å; L341-I511 HydrophobicContact CG-CD1 3.88Å
342	D	96.9	Very high	85.1	Confident	16 Å²	16	43 Å²	43	9%	0.086	22%	0.221	C	C	.	.			trans	-91.1	112	-179.3	-175.7	-0.9	0	0	0	112.1	E344 T345 A346 V382 L383	D342-E344 PolarHBondContact O-N 3.19Å; D342-E344 WeakPolarHBondContact OD1-CB 3.08Å; D342-E344 PolarHBondContact OD1-N 3.08Å; D342-T345 HydrophobicContact CB-CG2 4.08Å; D342-T345 PolarHBondContact O-N 3.23Å; D342-T345 PolarHBondContact O-OG1 2.86Å; D342-T345 VanDerWaalsContact OD2-CG2 3.28Å; D342-T345 WeakPolarHBondContact OD2-CG2 3.43Å; D342-A346 PolarHBondContact O-N 3.06Å; D342-V382 WeakPolarHBondContact O-CG2 3.32Å; D342-L383 PolarHBondContact N-O 3.44Å
343	P	95.7	Very high	87	Confident	47 Å²	47	44.5 Å²	44.5	31%	0.305	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-23.7	176.7	-18.2	31.1	0	0	0	114.4	L341 T345 L352 R356 R375	L341-P343 WeakPolarHBondContact O-CD 3.34Å; P343-T345 VanDerWaalsContact C-N 3.29Å; P343-L352 HydrophobicContact CB-CD1 4.02Å; P343-L352 HydrophobicContact CG-CD1 3.91Å; P343-R356 VanDerWaalsContact CD-NH1 3.34Å; P343-R375 PolarHBondContact O-NH1 3.3Å; P343-R375 PolarHBondContact O-NH2 2.71Å
344	E	94.9	Very high	88.7	Confident	108 Å²	108	47.5 Å²	47.5	51%	0.505	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-26.6	179.3	-60.5	-165.1	143.2	0	0	112	D342 R375	D342-E344 PolarHBondContact O-N 3.19Å; D342-E344 WeakPolarHBondContact OD1-CB 3.08Å; D342-E344 PolarHBondContact OD1-N 3.08Å; E344-R375 WeakPolarHBondContact O-CA 3.46Å; E344-R375 WeakPolarHBondContact O-CB 3.37Å
345	T	96.3	Very high	90.2	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.025	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-24.4	179.3	69.6	0	0	0	0	112.5	D342 P343 H347 R374 F376 L383	D342-T345 HydrophobicContact CB-CG2 4.08Å; D342-T345 PolarHBondContact O-N 3.23Å; D342-T345 PolarHBondContact O-OG1 2.86Å; D342-T345 VanDerWaalsContact OD2-CG2 3.28Å; D342-T345 WeakPolarHBondContact OD2-CG2 3.43Å; P343-T345 VanDerWaalsContact C-N 3.29Å; T345-H347 PolarHBondContact O-N 3.14Å; T345-R374 WeakPolarHBondContact CA-O 3.44Å; T345-R374 HydrophobicContact CG2-CB 4.5Å; T345-F376 WeakPolarHBondContact O-CD2 3.22Å; T345-F376 PolarHBondContact O-N 3.48Å; T345-L383 HydrophobicContact CG2-CB 4.03Å; T345-L383 HydrophobicContact CG2-CD1 4.08Å; T345-L383 HydrophobicContact CG2-CG 4.17Å; T345-L383 PolarHBondContact OG1-N 2.91Å
346	A	96.4	Very high	91.8	Very high	5 Å²	5	47.7 Å²	47.7	4%	0.041	25%	0.248	C	C	.	.	S	Bend	trans	-61	133.8	-170.5	0	0	0	0	0	113.2	D342 L352 R375 V382	D342-A346 PolarHBondContact O-N 3.06Å; A346-L352 HydrophobicContact CB-CD1 4.23Å; A346-L352 HydrophobicContact CB-CD2 4.46Å; A346-L352 HydrophobicContact CB-CG 4.47Å; A346-R375 WeakPolarHBondContact O-CG 3.42Å; A346-R375 PolarHBondContact O-NH1 3.26Å; A346-V382 HydrophobicContact CB-CB 4.02Å; A346-V382 HydrophobicContact CB-CG2 3.67Å
347	H	95.7	Very high	93.1	Very high	14 Å²	14	46.5 Å²	46.5	7%	0.065	24%	0.24	C	C	.	.			trans	-61.6	142.4	174.2	-177	-85.6	0	0	0	112	T345 N349 L350 F376 T377 Y379 C381	T345-H347 PolarHBondContact O-N 3.14Å; H347-N349 PolarHBondContact CE1-OD1 3.01Å; H347-N349 VanDerWaalsContact CE1-OD1 3.26Å; H347-N349 WeakPolarHBondContact ND1-CB 3.42Å; H347-N349 PolarHBondContact ND1-N 2.95Å; H347-N349 PolarHBondContact O-N 3.33Å; H347-L350 HydrophobicContact CB-CD1 4.07Å; H347-L350 HydrophobicContact CB-CG 4.04Å; H347-L350 VanDerWaalsContact O-CB 3.27Å; H347-L350 WeakPolarHBondContact O-CB 3.39Å; H347-L350 PolarHBondContact O-N 3.47Å; H347-F376 VanDerWaalsContact CA-O 3.25Å; H347-F376 WeakPolarHBondContact CA-O 3.3Å; H347-F376 HydrophobicContact CB-CB 4.13Å; H347-F376 PolarHBondContact CD2-O 3.21Å; H347-F376 VanDerWaalsContact CD2-O 3.24Å; H347-T377 VanDerWaalsContact CD2-C 3.43Å; H347-T377 VanDerWaalsContact CD2-CA 3.49Å; H347-T377 WeakPolarHBondContact CD2-CA 3.47Å; H347-T377 PolarHBondContact NE2-O 2.99Å; H347-Y379 PolarHBondContact CD2-O 3.43Å; H347-C381 PolarHBondContact N-O 3.36Å
348	P	95.5	Very high	94.6	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.013	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-16.5	-177.5	-32.4	39.9	0	0	0	117	L350 R365 L366 L369 F376	P348-L350 VanDerWaalsContact C-N 3.33Å; P348-R365 HydrophobicContact CB-CG 3.4Å; P348-R365 VanDerWaalsContact CB-NE 3.27Å; P348-L366 WeakPolarHBondContact O-CB 3.38Å; P348-L366 WeakPolarHBondContact O-CG 3.48Å; P348-L366 PolarHBondContact O-N 2.99Å; P348-L369 HydrophobicContact CB-CD1 4.1Å; P348-L369 HydrophobicContact CG-CD1 4.33Å; P348-F376 WeakPolarHBondContact CD-O 3.3Å
349	N	94.2	Very high	95.5	Very high	24 Å²	24	41.2 Å²	41.2	13%	0.128	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	12.3	172.1	-73.1	85.6	0	0	0	113.4	H347 F361 V362 E363	H347-N349 PolarHBondContact CE1-OD1 3.01Å; H347-N349 VanDerWaalsContact CE1-OD1 3.26Å; H347-N349 WeakPolarHBondContact ND1-CB 3.42Å; H347-N349 PolarHBondContact ND1-N 2.95Å; H347-N349 PolarHBondContact O-N 3.33Å; N349-F361 HydrophobicContact CB-CD2 4.02Å; N349-F361 HydrophobicContact CB-CE2 3.57Å; N349-F361 HydrophobicContact CB-CZ 4.18Å; N349-F361 CarbonylContact O-C 3.59Å; N349-F361 WeakPolarHBondContact O-CA 3.24Å; N349-V362 WeakPolarHBondContact CB-O 3.46Å; N349-V362 PolarHBondContact ND2-O 3.3Å; N349-V362 WeakPolarHBondContact O-CG2 3.29Å; N349-V362 PolarHBondContact O-N 3.25Å; N349-E363 PolarHBondContact ND2-O 3.39Å
350	L	95.8	Very high	95.9	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.026	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	135.2	175.6	-59.7	-176.6	0	0	0	110	H347 P348 V359 K360 F361 L366 P380 C381 V382 P497	H347-L350 HydrophobicContact CB-CD1 4.07Å; H347-L350 HydrophobicContact CB-CG 4.04Å; H347-L350 VanDerWaalsContact O-CB 3.27Å; H347-L350 WeakPolarHBondContact O-CB 3.39Å; H347-L350 PolarHBondContact O-N 3.47Å; P348-L350 VanDerWaalsContact C-N 3.33Å; L350-V359 HydrophobicContact CB-CG2 3.82Å; L350-V359 HydrophobicContact CD1-CG2 3.92Å; L350-V359 HydrophobicContact CD2-CG2 4.11Å; L350-V359 HydrophobicContact CG-CG2 4.17Å; L350-K360 WeakPolarHBondContact CA-O 3.35Å; L350-F361 HydrophobicContact CD2-CB 4.34Å; L350-F361 HydrophobicContact CD2-CD2 4.33Å; L350-L366 WeakPolarHBondContact O-CD1 3.5Å; L350-P380 WeakPolarHBondContact CD1-O 3.39Å; L350-P380 HydrophobicContact CD2-CB 4.01Å; L350-P380 HydrophobicContact CG-CB 4.49Å; L350-C381 VanDerWaalsContact CD1-C 3.49Å; L350-C381 VanDerWaalsContact CD1-O 3.28Å; L350-C381 WeakPolarHBondContact CD1-O 3.26Å; L350-V382 HydrophobicContact CD1-CB 3.98Å; L350-V382 HydrophobicContact CD1-CG1 4.15Å; L350-P497 HydrophobicContact CD2-CG 3.58Å
351	V	94.9	Very high	95.8	Very high	45 Å²	45	45 Å²	45	27%	0.273	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.5	170.9	176	0	0	0	0	107.8	V359 K360 V362 L366	V351-V359 WeakPolarHBondContact O-CA 3.49Å; V351-K360 HydrophobicContact CB-CG 4.2Å; V351-K360 PolarHBondContact N-O 2.9Å; V351-K360 PolarHBondContact O-N 2.91Å; V351-V362 HydrophobicContact CB-CG1 4.38Å; V351-V362 HydrophobicContact CG2-CB 4.36Å; V351-V362 HydrophobicContact CG2-CG1 3.64Å; V351-V362 HydrophobicContact CG2-CG2 3.74Å; V351-L366 HydrophobicContact CG2-CD1 4.32Å; V351-L366 HydrophobicContact CG2-CD2 4.46Å
352	L	96.6	Very high	95.6	Very high	39 Å²	39	46.6 Å²	46.6	20%	0.204	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	147.1	173.8	-52.4	-174.5	0	0	0	109.9	L341 P343 A346 S358 V359 V382	L341-L352 HydrophobicContact CB-CD1 4.19Å; L341-L352 HydrophobicContact CB-CD2 4.23Å; L341-L352 HydrophobicContact CD1-CD2 3.96Å; P343-L352 HydrophobicContact CB-CD1 4.02Å; P343-L352 HydrophobicContact CG-CD1 3.91Å; A346-L352 HydrophobicContact CB-CD1 4.23Å; A346-L352 HydrophobicContact CB-CD2 4.46Å; A346-L352 HydrophobicContact CB-CG 4.47Å; L352-S358 CarbonylContact C-O 3.31Å; L352-S358 VanDerWaalsContact CA-O 3.32Å; L352-S358 WeakPolarHBondContact CA-O 3.5Å; L352-V359 HydrophobicContact CD2-CB 3.67Å; L352-V359 HydrophobicContact CD2-CG2 3.58Å; L352-V382 HydrophobicContact CD2-CG2 4.28Å
353	S	96.5	Very high	95.2	Very high	40 Å²	40	52 Å²	52	28%	0.28	26%	0.258	S	S	.	.			trans	-69.9	160.1	166.2	52.4	0	0	0	0	111.1	D355 R356 K357 S358	S353-D355 VanDerWaalsContact C-N 3.3Å; S353-D355 VanDerWaalsContact CB-OD1 3.25Å; S353-D355 WeakPolarHBondContact CB-OD1 3.25Å; S353-D355 PolarHBondContact O-N 3.32Å; S353-D355 PolarHBondContact OG-OD1 2.64Å; S353-R356 WeakPolarHBondContact O-CA 3.5Å; S353-R356 PolarHBondContact O-N 3.4Å; S353-K357 PolarHBondContact OG-N 2.88Å; S353-S358 PolarHBondContact N-O 2.91Å; S353-S358 WeakPolarHBondContact OG-CA 3.28Å; S353-S358 WeakPolarHBondContact OG-CB 3.27Å; S353-S358 PolarHBondContact OG-N 2.82Å; S353-S358 PolarHBondContact OG-O 3.29Å
354	E	95.1	Very high	94.8	Very high	201 Å²	201	55.3 Å²	55.3	94%	0.939	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-40.3	-179.4	-173.5	174.2	-168.5	0	0	112.5	R356	E354-R356 PolarHBondContact O-N 3.22Å
355	D	94.4	Very high	94.4	Very high	98 Å²	98	57 Å²	57	52%	0.524	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-2.6	174.9	68.5	-1.5	0	0	0	114.2	S353 K357	S353-D355 VanDerWaalsContact C-N 3.3Å; S353-D355 VanDerWaalsContact CB-OD1 3.25Å; S353-D355 WeakPolarHBondContact CB-OD1 3.25Å; S353-D355 PolarHBondContact O-N 3.32Å; S353-D355 PolarHBondContact OG-OD1 2.64Å; D355-K357 HydrophobicContact CB-CG 4.4Å; D355-K357 PolarHBondContact O-N 2.72Å; D355-K357 VanDerWaalsContact O-N 3.15Å; D355-K357 PolarHBondContact OD1-N 3.01Å
356	R	96.5	Very high	94	Very high	107 Å²	107	60.5 Å²	60.5	40%	0.404	30%	0.298	S	S	.	.	S	Bend	trans	55.9	24.5	-175.4	-54.9	-177.2	179.6	-162.3	2.8	114.4	L341 P343 S353 E354	L341-R356 HydrophobicContact CB-CB 4.5Å; L341-R356 WeakPolarHBondContact CB-O 3.49Å; L341-R356 VanDerWaalsContact CG-O 3.28Å; L341-R356 WeakPolarHBondContact CG-O 3.4Å; L341-R356 PolarHBondContact N-O 3.05Å; L341-R356 WeakPolarHBondContact O-CD 3.31Å; P343-R356 VanDerWaalsContact CD-NH1 3.34Å; S353-R356 WeakPolarHBondContact O-CA 3.5Å; S353-R356 PolarHBondContact O-N 3.4Å; E354-R356 PolarHBondContact O-N 3.22Å
357	K	95.5	Very high	93.4	Very high	45 Å²	45	70.5 Å²	70.5	20%	0.196	33%	0.334	C	S	.	.			trans	-97.9	-16.8	176.5	-63.4	-57.9	-170.2	180	0	113.4	D338 V339 T340 S353 D355 T510 I511	D338-K357 IonicContact OD1-NZ 2.63Å; D338-K357 PolarHBondContact OD1-NZ 3.14Å; V339-K357 PolarHBondContact O-NZ 2.93Å; T340-K357 HydrophobicContact CG2-CD 4.25Å; S353-K357 PolarHBondContact OG-N 2.88Å; D355-K357 HydrophobicContact CB-CG 4.4Å; D355-K357 PolarHBondContact O-N 2.72Å; D355-K357 VanDerWaalsContact O-N 3.15Å; D355-K357 PolarHBondContact OD1-N 3.01Å; K357-T510 CarbonylContact O-C 3.49Å; K357-T510 WeakPolarHBondContact O-CA 3.47Å; K357-I511 HydrophobicContact CD-CB 4.37Å; K357-I511 PolarHBondContact O-N 2.74Å
358	S	97.1	Very high	92.9	Very high	22 Å²	22	77.6 Å²	77.6	15%	0.154	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	146.5	-176.5	-55.4	0	0	0	0	112.9	L352 S353 L509 T510	L352-S358 CarbonylContact C-O 3.31Å; L352-S358 VanDerWaalsContact CA-O 3.32Å; L352-S358 WeakPolarHBondContact CA-O 3.5Å; S353-S358 PolarHBondContact N-O 2.91Å; S353-S358 WeakPolarHBondContact OG-CA 3.28Å; S353-S358 WeakPolarHBondContact OG-CB 3.27Å; S353-S358 PolarHBondContact OG-N 2.82Å; S353-S358 PolarHBondContact OG-O 3.29Å; S358-L509 CarbonylContact C-O 3.58Å; S358-L509 WeakPolarHBondContact CA-O 3.39Å; S358-T510 WeakPolarHBondContact OG-CB 3.28Å; S358-T510 VanDerWaalsContact OG-CG2 3.24Å; S358-T510 WeakPolarHBondContact OG-CG2 3.22Å; S358-T510 PolarHBondContact OG-OG1 2.99Å
359	V	97.4	Very high	92.6	Very high	2 Å²	2	80.6 Å²	80.6	1%	0.012	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	135.6	175	58.3	0	0	0	0	112	L341 L350 V351 L352 V382 F495 P497 P508 L509	L341-V359 HydrophobicContact CD1-CB 3.73Å; L341-V359 HydrophobicContact CD1-CG1 3.89Å; L350-V359 HydrophobicContact CB-CG2 3.82Å; L350-V359 HydrophobicContact CD1-CG2 3.92Å; L350-V359 HydrophobicContact CD2-CG2 4.11Å; L350-V359 HydrophobicContact CG-CG2 4.17Å; V351-V359 WeakPolarHBondContact O-CA 3.49Å; L352-V359 HydrophobicContact CD2-CB 3.67Å; L352-V359 HydrophobicContact CD2-CG2 3.58Å; V359-V382 HydrophobicContact CB-CG1 4.28Å; V359-V382 HydrophobicContact CG1-CG1 4.02Å; V359-V382 HydrophobicContact CG2-CG1 4.04Å; V359-F495 HydrophobicContact CG1-CB 4.44Å; V359-P497 HydrophobicContact CG2-CG 4.29Å; V359-P508 CarbonylContact O-C 3.56Å; V359-P508 WeakPolarHBondContact O-CA 3.45Å; V359-P508 WeakPolarHBondContact O-CB 3.2Å; V359-L509 HydrophobicContact CG1-CB 4.09Å; V359-L509 PolarHBondContact N-O 3.05Å; V359-L509 PolarHBondContact O-N 3.49Å
360	K	94.9	Very high	92.3	Very high	95 Å²	95	83.2 Å²	83.2	41%	0.413	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	151	174.4	64.6	-174.3	178.3	-172.4	0	111.6	L350 V351 P508	L350-K360 WeakPolarHBondContact CA-O 3.35Å; V351-K360 HydrophobicContact CB-CG 4.2Å; V351-K360 PolarHBondContact N-O 2.9Å; V351-K360 PolarHBondContact O-N 2.91Å; K360-P508 HydrophobicContact CB-CB 4.13Å
361	F	94.7	Very high	92	Very high	25 Å²	25	88.8 Å²	88.8	11%	0.11	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	137.4	172.3	-179.4	-90.4	0	0	0	111.4	N349 L350 E363 P380 G498 I499 R500	N349-F361 HydrophobicContact CB-CD2 4.02Å; N349-F361 HydrophobicContact CB-CE2 3.57Å; N349-F361 HydrophobicContact CB-CZ 4.18Å; N349-F361 CarbonylContact O-C 3.59Å; N349-F361 WeakPolarHBondContact O-CA 3.24Å; L350-F361 HydrophobicContact CD2-CB 4.34Å; L350-F361 HydrophobicContact CD2-CD2 4.33Å; F361-E363 HydrophobicContact CE1-CG 4.22Å; F361-P380 HydrophobicContact CD2-CB 3.9Å; F361-P380 HydrophobicContact CD2-CG 4.17Å; F361-P380 HydrophobicContact CE2-CB 4.15Å; F361-P380 HydrophobicContact CE2-CG 4.01Å; F361-G498 VanDerWaalsContact CB-O 3.28Å; F361-G498 WeakPolarHBondContact CB-O 3.33Å; F361-I499 HydrophobicContact CD1-CG2 4.45Å; F361-I499 HydrophobicContact CD2-CG1 4.42Å; F361-I499 HydrophobicContact CE1-CG2 3.89Å; F361-I499 HydrophobicContact CE2-CG1 4.1Å; F361-I499 HydrophobicContact CE2-CG2 4.48Å; F361-I499 HydrophobicContact CZ-CG1 4.34Å; F361-I499 HydrophobicContact CZ-CG2 3.91Å; F361-R500 HydrophobicContact CD1-CB 4.18Å; F361-R500 HydrophobicContact CD1-CG 4.21Å; F361-R500 HydrophobicContact CE1-CB 4.48Å
362	V	91.9	Very high	91.9	Very high	34 Å²	34	88.9 Å²	88.9	21%	0.206	44%	0.437	C	S	.	.			trans	-124.1	142	172.2	-65.1	0	0	0	0	110.2	N349 V351 T364	N349-V362 WeakPolarHBondContact CB-O 3.46Å; N349-V362 PolarHBondContact ND2-O 3.3Å; N349-V362 WeakPolarHBondContact O-CG2 3.29Å; N349-V362 PolarHBondContact O-N 3.25Å; V351-V362 HydrophobicContact CB-CG1 4.38Å; V351-V362 HydrophobicContact CG2-CB 4.36Å; V351-V362 HydrophobicContact CG2-CG1 3.64Å; V351-V362 HydrophobicContact CG2-CG2 3.74Å; V362-T364 VanDerWaalsContact CG2-O 3.31Å; V362-T364 WeakPolarHBondContact CG2-O 3.44Å
363	E	88.8	Confident	91.6	Very high	129 Å²	129	92 Å²	92	60%	0.603	46%	0.46	S	S	*	.	S	Bend	trans	-70.6	-39.4	-179.5	-71.7	169.3	-160.3	0	0	111.5	N349 F361 R365	N349-E363 PolarHBondContact ND2-O 3.39Å; F361-E363 HydrophobicContact CE1-CG 4.22Å; E363-R365 PolarHBondContact O-N 3.01Å
364	T	88.4	Confident	91.4	Very high	117 Å²	117	96.9 Å²	96.9	72%	0.718	47%	0.472	S	S	*	.	S	Bend	trans	-79	115.1	175.8	-48.1	0	0	0	0	110.1	V362	V362-T364 VanDerWaalsContact CG2-O 3.31Å; V362-T364 WeakPolarHBondContact CG2-O 3.44Å
365	R	86.4	Confident	91.4	Very high	145 Å²	145	87.9 Å²	87.9	55%	0.547	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-60.9	132.6	175.5	-168.2	179.1	171.6	170.6	-0.2	110.7	P348 E363	P348-R365 HydrophobicContact CB-CG 3.4Å; P348-R365 VanDerWaalsContact CB-NE 3.27Å; E363-R365 PolarHBondContact O-N 3.01Å
366	L	86.7	Confident	91.4	Very high	76 Å²	76	83.4 Å²	83.4	40%	0.398	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-63.6	138.1	170	-64.1	175.2	0	0	0	110.1	P348 L350 V351 L369	P348-L366 WeakPolarHBondContact O-CB 3.38Å; P348-L366 WeakPolarHBondContact O-CG 3.48Å; P348-L366 PolarHBondContact O-N 2.99Å; L350-L366 WeakPolarHBondContact O-CD1 3.5Å; V351-L366 HydrophobicContact CG2-CD1 4.32Å; V351-L366 HydrophobicContact CG2-CD2 4.46Å; L366-L369 HydrophobicContact CB-CD1 3.8Å; L366-L369 HydrophobicContact CB-CG 4.38Å; L366-L369 HydrophobicContact CD1-CD1 4.3Å
367	R	85.5	Confident	91.1	Very high	215 Å²	215	80.3 Å²	80.3	81%	0.811	40%	0.399	S	S	*	.	S	Bend	trans	-91.7	164	178.9	-63.6	-176.5	-178.5	-179.8	-0.2	110.8	L369	R367-L369 PolarHBondContact O-N 3.13Å; R367-L369 VanDerWaalsContact O-N 3.15Å
368	D	84.6	Confident	90.9	Very high	163 Å²	163	82.6 Å²	82.6	87%	0.872	41%	0.409	S	S	*	.	S	Bend	trans	59.7	23.9	171.9	-48.2	-42.4	0	0	0	116.1
369	L	88.3	Confident	90.6	Very high	66 Å²	66	84.8 Å²	84.8	35%	0.346	41%	0.414	S	S	.	.			trans	-85	133	171.4	-66.6	175.5	0	0	0	110.7	P348 L366 R367 D371	P348-L369 HydrophobicContact CB-CD1 4.1Å; P348-L369 HydrophobicContact CG-CD1 4.33Å; L366-L369 HydrophobicContact CB-CD1 3.8Å; L366-L369 HydrophobicContact CB-CG 4.38Å; L366-L369 HydrophobicContact CD1-CD1 4.3Å; R367-L369 PolarHBondContact O-N 3.13Å; R367-L369 VanDerWaalsContact O-N 3.15Å; L369-D371 PolarHBondContact O-N 2.98Å
370	P	89.1	Confident	90.4	Very high	78 Å²	78	85 Å²	85	51%	0.506	42%	0.416	S	S	.	.			trans	-66.7	132.9	179.9	27	-34.1	0	0	0	111	T372 R375	P370-T372 VanDerWaalsContact C-N 3.33Å; P370-T372 HydrophobicContact CB-CG2 4.06Å; P370-T372 HydrophobicContact CG-CG2 4.35Å; P370-T372 PolarHBondContact O-N 3.3Å; P370-T372 VanDerWaalsContact O-N 3.07Å; P370-R375 WeakPolarHBondContact O-CD 3.24Å; P370-R375 PolarHBondContact O-NE 2.84Å
371	D	89	Confident	90.5	Very high	123 Å²	123	80.7 Å²	80.7	66%	0.658	40%	0.397	S	S	*	.			trans	-82.7	77.7	175.7	-169.8	15.8	0	0	0	110.6	L369 K417	L369-D371 PolarHBondContact O-N 2.98Å; D371-K417 IonicContact OD1-NZ 2.64Å; D371-K417 PolarHBondContact OD1-NZ 3.3Å
372	T	92.5	Very high	90.6	Very high	46 Å²	46	79.5 Å²	79.5	28%	0.282	39%	0.392	S	S	.	.			trans	-90.3	157.4	177.8	70.2	0	0	0	0	110.9	P370 R374 R375 K417	P370-T372 VanDerWaalsContact C-N 3.33Å; P370-T372 HydrophobicContact CB-CG2 4.06Å; P370-T372 HydrophobicContact CG-CG2 4.35Å; P370-T372 PolarHBondContact O-N 3.3Å; P370-T372 VanDerWaalsContact O-N 3.07Å; T372-R374 PolarHBondContact O-N 3.48Å; T372-R374 VanDerWaalsContact O-N 3.16Å; T372-R375 PolarHBondContact O-N 3.17Å; T372-R375 VanDerWaalsContact O-N 3.1Å; T372-R375 PolarHBondContact OG1-N 3.37Å; T372-K417 VanDerWaalsContact O-CE 3.26Å; T372-K417 WeakPolarHBondContact O-CE 3.19Å; T372-K417 PolarHBondContact O-NZ 2.91Å
373	P	90.8	Very high	90.9	Very high	105 Å²	105	77.9 Å²	77.9	68%	0.682	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.2	173.3	-26	35.3	0	0	0	113.9	R416	P373-R416 VanDerWaalsContact O-CD 3.23Å; P373-R416 WeakPolarHBondContact O-CD 3.27Å
374	R	91.8	Very high	91.3	Very high	142 Å²	142	71.8 Å²	71.8	54%	0.536	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-26.7	178.2	-68.3	-173.3	177.5	-179.7	-1.1	113.3	T345 T372 R416	T345-R374 WeakPolarHBondContact CA-O 3.44Å; T345-R374 HydrophobicContact CG2-CB 4.5Å; T372-R374 PolarHBondContact O-N 3.48Å; T372-R374 VanDerWaalsContact O-N 3.16Å; R374-R416 VanDerWaalsContact O-CD 3.31Å; R374-R416 WeakPolarHBondContact O-CD 3.32Å
375	R	94.7	Very high	91.7	Very high	13 Å²	13	68.8 Å²	68.8	5%	0.049	34%	0.336	C	S	.	.	S	Bend	trans	-77.9	125.2	-177.1	-169.2	175.3	-63.7	-72.5	-3.8	111.8	P343 E344 A346 P370 T372 T377 K417	P343-R375 PolarHBondContact O-NH1 3.3Å; P343-R375 PolarHBondContact O-NH2 2.71Å; E344-R375 WeakPolarHBondContact O-CA 3.46Å; E344-R375 WeakPolarHBondContact O-CB 3.37Å; A346-R375 WeakPolarHBondContact O-CG 3.42Å; A346-R375 PolarHBondContact O-NH1 3.26Å; P370-R375 WeakPolarHBondContact O-CD 3.24Å; P370-R375 PolarHBondContact O-NE 2.84Å; T372-R375 PolarHBondContact O-N 3.17Å; T372-R375 VanDerWaalsContact O-N 3.1Å; T372-R375 PolarHBondContact OG1-N 3.37Å; R375-T377 PolarHBondContact O-N 3.21Å; R375-K417 WeakPolarHBondContact O-CE 3.25Å; R375-K417 PolarHBondContact O-NZ 2.81Å
376	F	94.8	Very high	92	Very high	4 Å²	4	67.8 Å²	67.8	2%	0.018	34%	0.337	C	S	.	.			trans	-63.8	129.6	167.4	-76.3	-78	0	0	0	110.8	T345 H347 P348 Y379 C381 L383 R416 L494	T345-F376 WeakPolarHBondContact O-CD2 3.22Å; T345-F376 PolarHBondContact O-N 3.48Å; H347-F376 VanDerWaalsContact CA-O 3.25Å; H347-F376 WeakPolarHBondContact CA-O 3.3Å; H347-F376 HydrophobicContact CB-CB 4.13Å; H347-F376 PolarHBondContact CD2-O 3.21Å; H347-F376 VanDerWaalsContact CD2-O 3.24Å; P348-F376 WeakPolarHBondContact CD-O 3.3Å; F376-Y379 WeakPolarHBondContact CB-O 3.43Å; F376-C381 HydrophobicContact CD1-CB 4.11Å; F376-C381 HydrophobicContact CD2-CB 3.77Å; F376-C381 HydrophobicContact CE1-CB 4.23Å; F376-C381 HydrophobicContact CE2-CB 3.87Å; F376-C381 HydrophobicContact CG-CB 3.89Å; F376-C381 HydrophobicContact CZ-CB 4.12Å; F376-L383 HydrophobicContact CE2-CD1 4.31Å; F376-L383 HydrophobicContact CE2-CD2 3.77Å; F376-L383 HydrophobicContact CE2-CG 3.81Å; F376-L383 HydrophobicContact CZ-CD2 4.2Å; F376-R416 WeakPolarHBondContact CA-O 3.12Å; F376-R416 HydrophobicContact CD1-CB 3.69Å; F376-R416 HydrophobicContact CD1-CG 3.94Å; F376-R416 HydrophobicContact CD2-CB 4.44Å; F376-R416 HydrophobicContact CD2-CG 4.11Å; F376-R416 HydrophobicContact CE1-CB 3.86Å; F376-R416 HydrophobicContact CE1-CG 3.66Å; F376-R416 HydrophobicContact CE2-CG 3.85Å; F376-R416 HydrophobicContact CG-CB 4Å; F376-R416 HydrophobicContact CG-CG 4.15Å; F376-R416 HydrophobicContact CZ-CB 4.31Å; F376-R416 HydrophobicContact CZ-CG 3.61Å; F376-L494 HydrophobicContact CZ-CD1 4.18Å
377	T	91.4	Very high	92.4	Very high	42 Å²	42	64.8 Å²	64.8	26%	0.258	33%	0.325	S	S	.	.	S	Bend	trans	-125.6	-7.6	177.2	52.9	0	0	0	0	114	H347 R375 R416 K417	H347-T377 VanDerWaalsContact CD2-C 3.43Å; H347-T377 VanDerWaalsContact CD2-CA 3.49Å; H347-T377 WeakPolarHBondContact CD2-CA 3.47Å; H347-T377 PolarHBondContact NE2-O 2.99Å; R375-T377 PolarHBondContact O-N 3.21Å; T377-R416 PolarHBondContact N-O 2.93Å; T377-K417 HydrophobicContact CG2-CD 4.41Å; T377-K417 VanDerWaalsContact OG1-CD 3.24Å; T377-K417 WeakPolarHBondContact OG1-CD 3.24Å
378	F	90	Very high	92.9	Very high	93 Å²	93	55.2 Å²	55.2	41%	0.408	29%	0.289	S	S	.	.	S	Bend	trans	-107.3	-64.4	178.8	-168.6	-93.8	0	0	0	111.6	G418 E419	F378-G418 WeakPolarHBondContact CB-O 3.32Å; F378-G418 WeakPolarHBondContact CD1-O 3.32Å; F378-G418 WeakPolarHBondContact CG-O 3.36Å; F378-E419 HydrophobicContact CD1-CB 4.4Å; F378-E419 HydrophobicContact CE1-CB 3.68Å; F378-E419 HydrophobicContact CE1-CG 3.73Å; F378-E419 HydrophobicContact CE2-CB 4.09Å; F378-E419 HydrophobicContact CZ-CB 3.5Å; F378-E419 VanDerWaalsContact CZ-CB 3.5Å; F378-E419 HydrophobicContact CZ-CG 3.73Å
379	Y	91.2	Very high	93.4	Very high	67 Å²	67	51.5 Å²	51.5	26%	0.263	27%	0.272	S	S	.	.	S	Bend	trans	-86.2	138.1	174.7	-63.1	-64	0	0	0	111.2	H347 F376 C381 L420	H347-Y379 PolarHBondContact CD2-O 3.43Å; F376-Y379 WeakPolarHBondContact CB-O 3.43Å; Y379-C381 PolarHBondContact O-N 3.07Å; Y379-L420 VanDerWaalsContact CE2-O 3.26Å; Y379-L420 WeakPolarHBondContact CE2-O 3.47Å; Y379-L420 PolarHBondContact OH-N 3.31Å; Y379-L420 PolarHBondContact OH-O 3.42Å; Y379-L420 VanDerWaalsContact OH-O 3.14Å
380	P	93.7	Very high	93.5	Very high	8 Å²	8	51.3 Å²	51.3	5%	0.052	28%	0.277	C	S	.	.			trans	-70.5	57.6	177.3	-9	19	0	0	0	114	L350 F361 Y496 P497 I499	L350-P380 WeakPolarHBondContact CD1-O 3.39Å; L350-P380 HydrophobicContact CD2-CB 4.01Å; L350-P380 HydrophobicContact CG-CB 4.49Å; F361-P380 HydrophobicContact CD2-CB 3.9Å; F361-P380 HydrophobicContact CD2-CG 4.17Å; F361-P380 HydrophobicContact CE2-CB 4.15Å; F361-P380 HydrophobicContact CE2-CG 4.01Å; P380-Y496 HydrophobicContact CB-CD2 4.39Å; P380-Y496 HydrophobicContact CB-CE2 4.02Å; P380-Y496 HydrophobicContact CG-CE2 3.87Å; P380-Y496 VanDerWaalsContact O-CD2 3.3Å; P380-Y496 WeakPolarHBondContact O-CD2 3.38Å; P380-P497 WeakPolarHBondContact O-CD 3.11Å; P380-I499 HydrophobicContact CG-CD1 4.21Å; P380-I499 HydrophobicContact CG-CG1 3.89Å
381	C	96.2	Very high	93.2	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.02	27%	0.265	C	S	.	.			trans	-102.2	161.7	-179.3	-62.7	0	0	0	0	111.9	H347 L350 F376 Y379 L494 F495	H347-C381 PolarHBondContact N-O 3.36Å; L350-C381 VanDerWaalsContact CD1-C 3.49Å; L350-C381 VanDerWaalsContact CD1-O 3.28Å; L350-C381 WeakPolarHBondContact CD1-O 3.26Å; F376-C381 HydrophobicContact CD1-CB 4.11Å; F376-C381 HydrophobicContact CD2-CB 3.77Å; F376-C381 HydrophobicContact CE1-CB 4.23Å; F376-C381 HydrophobicContact CE2-CB 3.87Å; F376-C381 HydrophobicContact CG-CB 3.89Å; F376-C381 HydrophobicContact CZ-CB 4.12Å; Y379-C381 PolarHBondContact O-N 3.07Å; C381-L494 HydrophobicContact CB-CG 4.48Å; C381-F495 WeakPolarHBondContact CA-O 3.36Å
382	V	97.8	Very high	93	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	146.6	167.8	58.9	0	0	0	0	108.6	L341 D342 A346 L350 L352 V359 F495	L341-V382 HydrophobicContact CB-CG2 4.28Å; L341-V382 HydrophobicContact CD2-CG1 3.96Å; L341-V382 HydrophobicContact CD2-CG2 4.49Å; D342-V382 WeakPolarHBondContact O-CG2 3.32Å; A346-V382 HydrophobicContact CB-CB 4.02Å; A346-V382 HydrophobicContact CB-CG2 3.67Å; L350-V382 HydrophobicContact CD1-CB 3.98Å; L350-V382 HydrophobicContact CD1-CG1 4.15Å; L352-V382 HydrophobicContact CD2-CG2 4.28Å; V359-V382 HydrophobicContact CB-CG1 4.28Å; V359-V382 HydrophobicContact CG1-CG1 4.02Å; V359-V382 HydrophobicContact CG2-CG1 4.04Å; V382-F495 HydrophobicContact CG1-CB 3.98Å; V382-F495 PolarHBondContact N-O 3.31Å; V382-F495 PolarHBondContact O-N 3.25Å
383	L	98	Very high	92.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	165.6	174	-54.3	-177.9	0	0	0	111	D342 T345 F376 W492 P493 L494	D342-L383 PolarHBondContact N-O 3.44Å; T345-L383 HydrophobicContact CG2-CB 4.03Å; T345-L383 HydrophobicContact CG2-CD1 4.08Å; T345-L383 HydrophobicContact CG2-CG 4.17Å; T345-L383 PolarHBondContact OG1-N 2.91Å; F376-L383 HydrophobicContact CE2-CD1 4.31Å; F376-L383 HydrophobicContact CE2-CD2 3.77Å; F376-L383 HydrophobicContact CE2-CG 3.81Å; F376-L383 HydrophobicContact CZ-CD2 4.2Å; L383-W492 HydrophobicContact CB-CB 4.37Å; L383-W492 HydrophobicContact CD1-CB 3.88Å; L383-W492 HydrophobicContact CD1-CD2 4.43Å; L383-W492 HydrophobicContact CD1-CG 4.03Å; L383-W492 HydrophobicContact CD2-CB 4.17Å; L383-W492 HydrophobicContact CG-CB 4.35Å; L383-P493 CarbonylContact C-O 3.49Å; L383-P493 VanDerWaalsContact CA-O 3.23Å; L383-P493 WeakPolarHBondContact CA-O 3.11Å; L383-L494 HydrophobicContact CD2-CB 3.86Å; L383-L494 HydrophobicContact CD2-CD1 3.93Å; L383-L494 HydrophobicContact CD2-CG 3.99Å
384	A	97.5	Very high	92.7	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.008	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-71.9	157.4	162.9	0	0	0	0	0	112.3	V339 T340 E386 W492 P493 F495	V339-A384 HydrophobicContact CG1-CB 3.42Å; V339-A384 VanDerWaalsContact CG1-CB 3.42Å; T340-A384 CarbonylContact O-C 3.52Å; T340-A384 WeakPolarHBondContact O-CA 3.3Å; A384-E386 VanDerWaalsContact C-N 3.26Å; A384-E386 WeakPolarHBondContact CB-O 3.39Å; A384-E386 PolarHBondContact O-N 3.42Å; A384-W492 VanDerWaalsContact O-CE3 3.31Å; A384-W492 WeakPolarHBondContact O-CZ3 3.5Å; A384-P493 HydrophobicContact CB-CB 3.82Å; A384-P493 HydrophobicContact CB-CG 3.92Å; A384-P493 PolarHBondContact N-O 3.48Å; A384-F495 HydrophobicContact CB-CE2 4.27Å
385	T	96	Very high	92.7	Very high	55 Å²	55	36.9 Å²	36.9	34%	0.337	19%	0.193	S	C	.	.	S	Bend	trans	-66.4	-30.6	174.5	-47.8	0	0	0	0	112	T340 W492	T340-T385 PolarHBondContact O-N 2.75Å; T340-T385 PolarHBondContact O-OG1 3.01Å; T340-T385 PolarHBondContact OG1-OG1 2.8Å; T340-T385 VanDerWaalsContact OG1-OG1 3.11Å; T385-W492 WeakPolarHBondContact O-CZ3 3.12Å
386	E	93.2	Very high	92.5	Very high	124 Å²	124	36.4 Å²	36.4	58%	0.579	19%	0.192	S	C	*	.			trans	-112	145.5	176.3	-62.3	-169.1	176.6	0	0	110.7	A384	A384-E386 VanDerWaalsContact C-N 3.26Å; A384-E386 WeakPolarHBondContact CB-O 3.39Å; A384-E386 PolarHBondContact O-N 3.42Å
387	G	94.6	Very high	92.6	Very high	13 Å²	13	36.2 Å²	36.2	13%	0.134	19%	0.191	C	C	.	.			trans	-129.8	164.3	173	0	0	0	0	0	109.7	K490 L491	G387-K490 VanDerWaalsContact CA-CE 3.43Å; G387-K490 WeakPolarHBondContact O-CE 3.14Å; G387-L491 CarbonylContact C-O 3.44Å; G387-L491 WeakPolarHBondContact CA-O 3.46Å
388	F	95.2	Very high	92.8	Very high	14 Å²	14	36.7 Å²	36.7	6%	0.061	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-114.5	133.7	-166.9	-50	-62.2	0	0	0	111.1	A337 H393 W395 L462 K490 L491 P493	A337-F388 HydrophobicContact CB-CE1 3.93Å; A337-F388 HydrophobicContact CB-CZ 3.59Å; F388-H393 HydrophobicContact CD1-CB 4.36Å; F388-H393 AromaticContact CD1-CD2 3.56Å; F388-H393 AromaticContact CD1-CE1 3.39Å; F388-H393 WeakPolarHBondContact CD1-CE1 3.2Å; F388-H393 AromaticContact CD1-CG 3.5Å; F388-H393 AromaticContact CD1-ND1 3.42Å; F388-H393 WeakPolarHBondContact CD1-ND1 3.42Å; F388-H393 AromaticContact CD1-NE2 3.47Å; F388-H393 WeakPolarHBondContact CD1-NE2 3.27Å; F388-H393 HydrophobicContact CD2-CB 4.2Å; F388-H393 HydrophobicContact CE1-CB 4.17Å; F388-H393 AromaticContact CE1-CE1 3.74Å; F388-H393 AromaticContact CE1-CG 3.61Å; F388-H393 AromaticContact CE1-ND1 3.34Å; F388-H393 VanDerWaalsContact CE1-ND1 3.34Å; F388-H393 WeakPolarHBondContact CE1-ND1 3.07Å; F388-H393 HydrophobicContact CE2-CB 3.98Å; F388-H393 HydrophobicContact CG-CB 4.38Å; F388-H393 AromaticContact CG-CD2 3.53Å; F388-H393 AromaticContact CG-CG 3.74Å; F388-H393 AromaticContact CG-NE2 3.8Å; F388-H393 HydrophobicContact CZ-CB 3.98Å; F388-H393 AromaticContact CZ-CG 3.93Å; F388-H393 AromaticContact CZ-ND1 4Å; F388-W395 HydrophobicContact CD2-CZ3 4.48Å; F388-W395 HydrophobicContact CE2-CE3 4.3Å; F388-W395 HydrophobicContact CE2-CH2 4.29Å; F388-W395 AromaticContact CE2-CZ3 3.77Å; F388-W395 HydrophobicContact CE2-CZ3 3.77Å; F388-L462 HydrophobicContact CB-CD2 3.89Å; F388-L462 HydrophobicContact CD2-CD2 3.73Å; F388-L462 HydrophobicContact CG-CD2 4.18Å; F388-K490 WeakPolarHBondContact O-CA 3.34Å; F388-L491 PolarHBondContact N-O 3.14Å; F388-L491 PolarHBondContact O-N 3.26Å; F388-P493 HydrophobicContact CD2-CG 4.23Å; F388-P493 HydrophobicContact CE2-CG 3.51Å; F388-P493 HydrophobicContact CZ-CG 4.26Å
389	T	94.9	Very high	93.1	Very high	84 Å²	84	32.3 Å²	32.3	52%	0.515	17%	0.171	S	C	.	.	S	Bend	trans	-116.2	-3.2	176.2	50.7	0	0	0	0	112.9	Y464 K490	T389-Y464 WeakPolarHBondContact O-CD1 3.3Å; T389-Y464 WeakPolarHBondContact O-CE1 3.47Å; T389-K490 HydrophobicContact CG2-CB 3.6Å; T389-K490 HydrophobicContact CG2-CD 4.15Å; T389-K490 HydrophobicContact CG2-CG 3.75Å
390	S	90.7	Very high	93.1	Very high	63 Å²	63	30.2 Å²	30.2	44%	0.441	17%	0.17	S	C	.	.	S	Bend	trans	-171.2	166.6	-177.8	54	0	0	0	0	109.6	H393 E465	S390-H393 PolarHBondContact O-NE2 2.99Å; S390-E465 VanDerWaalsContact CA-OE1 3.23Å; S390-E465 WeakPolarHBondContact CA-OE1 3.42Å; S390-E465 WeakPolarHBondContact CB-OE1 3.43Å
391	G	83	Confident	93	Very high	25 Å²	25	35.1 Å²	35.1	26%	0.258	20%	0.195	S	C	.	.	S	Bend	trans	81.7	-174.7	172.5	0	0	0	0	0	114.6	Y464 E465	G391-Y464 VanDerWaalsContact O-CB 3.28Å; G391-Y464 WeakPolarHBondContact O-CB 3.35Å; G391-Y464 PolarHBondContact O-N 3.34Å; G391-E465 VanDerWaalsContact CA-OE2 3.22Å; G391-E465 WeakPolarHBondContact CA-OE2 3.28Å; G391-E465 PolarHBondContact N-OE1 2.87Å; G391-E465 PolarHBondContact N-OE2 2.87Å
392	R	84.9	Confident	92.9	Very high	123 Å²	123	35.1 Å²	35.1	46%	0.464	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	132.2	179.2	-59.3	171.2	-179	156.8	9.7	109.7	L335 F461 L462 D463	L335-R392 HydrophobicContact CD1-CB 3.57Å; L335-R392 HydrophobicContact CD2-CB 3.87Å; L335-R392 WeakPolarHBondContact CD2-O 3.42Å; L335-R392 HydrophobicContact CG-CB 4.23Å; R392-F461 HydrophobicContact CB-CE2 4.02Å; R392-F461 HydrophobicContact CB-CZ 3.99Å; R392-F461 HydrophobicContact CG-CZ 4.21Å; R392-L462 CarbonylContact C-O 3.58Å; R392-L462 WeakPolarHBondContact CA-O 3.38Å; R392-D463 WeakPolarHBondContact CD-OD2 3.36Å; R392-D463 HydrophobicContact CG-CB 4.1Å; R392-D463 WeakPolarHBondContact CG-OD2 3.45Å; R392-D463 IonicContact CZ-OD2 3.74Å; R392-D463 IonicContact NE-OD2 2.75Å; R392-D463 PolarHBondContact NE-OD2 3.45Å; R392-D463 IonicContact NH2-OD2 3.9Å
393	H	88.3	Confident	92.7	Very high	40 Å²	40	37 Å²	37	19%	0.185	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	137.6	-173.9	-59.4	-80.5	0	0	0	110.4	L335 A337 F388 S390 W395 F461 L462	L335-H393 WeakPolarHBondContact O-CA 2.96Å; A337-H393 HydrophobicContact CB-CB 4.4Å; F388-H393 HydrophobicContact CD1-CB 4.36Å; F388-H393 AromaticContact CD1-CD2 3.56Å; F388-H393 AromaticContact CD1-CE1 3.39Å; F388-H393 WeakPolarHBondContact CD1-CE1 3.2Å; F388-H393 AromaticContact CD1-CG 3.5Å; F388-H393 AromaticContact CD1-ND1 3.42Å; F388-H393 WeakPolarHBondContact CD1-ND1 3.42Å; F388-H393 AromaticContact CD1-NE2 3.47Å; F388-H393 WeakPolarHBondContact CD1-NE2 3.27Å; F388-H393 HydrophobicContact CD2-CB 4.2Å; F388-H393 HydrophobicContact CE1-CB 4.17Å; F388-H393 AromaticContact CE1-CE1 3.74Å; F388-H393 AromaticContact CE1-CG 3.61Å; F388-H393 AromaticContact CE1-ND1 3.34Å; F388-H393 VanDerWaalsContact CE1-ND1 3.34Å; F388-H393 WeakPolarHBondContact CE1-ND1 3.07Å; F388-H393 HydrophobicContact CE2-CB 3.98Å; F388-H393 HydrophobicContact CG-CB 4.38Å; F388-H393 AromaticContact CG-CD2 3.53Å; F388-H393 AromaticContact CG-CG 3.74Å; F388-H393 AromaticContact CG-NE2 3.8Å; F388-H393 HydrophobicContact CZ-CB 3.98Å; F388-H393 AromaticContact CZ-CG 3.93Å; F388-H393 AromaticContact CZ-ND1 4Å; S390-H393 PolarHBondContact O-NE2 2.99Å; H393-W395 HydrophobicContact CB-CZ3 4.23Å; H393-F461 WeakPolarHBondContact O-CA 3.32Å; H393-L462 HydrophobicContact CB-CB 4.48Å; H393-L462 PolarHBondContact N-O 3.29Å; H393-L462 PolarHBondContact O-N 2.89Å
394	Y	88.7	Confident	92.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	137.8	178.1	-175	-102.8	0	0	0	111.8	Y325 L332 L335 A337 E396 G459 I460 F461 P514	Y325-Y394 HydrophobicContact CE2-CE2 4.37Å; Y325-Y394 PolarHBondContact OH-OH 3.06Å; L332-Y394 HydrophobicContact CD1-CD1 4.05Å; L332-Y394 HydrophobicContact CD1-CD2 4.37Å; L332-Y394 HydrophobicContact CD1-CE1 4.11Å; L332-Y394 HydrophobicContact CD1-CE2 4.41Å; L332-Y394 HydrophobicContact CD1-CG 4.19Å; L332-Y394 HydrophobicContact CD2-CD1 4.11Å; L332-Y394 HydrophobicContact CD2-CD2 3.95Å; L332-Y394 HydrophobicContact CD2-CG 3.58Å; L332-Y394 HydrophobicContact CG-CG 4.42Å; L335-Y394 PolarHBondContact O-N 3.04Å; A337-Y394 PolarHBondContact N-O 2.75Å; A337-Y394 VanDerWaalsContact N-O 3.14Å; Y394-E396 HydrophobicContact CE1-CG 3.53Å; Y394-E396 WeakPolarHBondContact OH-CG 3.4Å; Y394-E396 PolarHBondContact OH-OE1 2.87Å; Y394-G459 WeakPolarHBondContact OH-CA 3.21Å; Y394-I460 WeakPolarHBondContact CA-O 3.41Å; Y394-I460 WeakPolarHBondContact CD2-O 3.25Å; Y394-F461 HydrophobicContact CD2-CB 3.92Å; Y394-F461 HydrophobicContact CD2-CD2 4.16Å; Y394-P514 HydrophobicContact CD1-CB 4.49Å; Y394-P514 HydrophobicContact CD1-CG 3.79Å; Y394-P514 HydrophobicContact CE1-CB 4.15Å; Y394-P514 HydrophobicContact CE1-CG 3.83Å
395	W	91.4	Very high	92.5	Very high	3 Å²	3	39.3 Å²	39.3	1%	0.011	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	156.4	171	65.2	97.5	0	0	0	111	V339 F388 H393 V409 I460 L462 P493 F495	V339-W395 HydrophobicContact CB-CB 4.48Å; V339-W395 HydrophobicContact CG2-CB 3.75Å; V339-W395 HydrophobicContact CG2-CD2 4.2Å; V339-W395 HydrophobicContact CG2-CE3 4.45Å; V339-W395 HydrophobicContact CG2-CG 3.91Å; F388-W395 HydrophobicContact CD2-CZ3 4.48Å; F388-W395 HydrophobicContact CE2-CE3 4.3Å; F388-W395 HydrophobicContact CE2-CH2 4.29Å; F388-W395 AromaticContact CE2-CZ3 3.77Å; F388-W395 HydrophobicContact CE2-CZ3 3.77Å; H393-W395 HydrophobicContact CB-CZ3 4.23Å; W395-V409 HydrophobicContact CH2-CG1 3.75Å; W395-V409 HydrophobicContact CZ2-CG1 4.02Å; W395-I460 HydrophobicContact CD2-CB 4.2Å; W395-I460 HydrophobicContact CH2-CB 4.33Å; W395-I460 HydrophobicContact CH2-CG2 3.68Å; W395-I460 HydrophobicContact CZ2-CB 3.82Å; W395-I460 HydrophobicContact CZ2-CG2 3.44Å; W395-I460 VanDerWaalsContact CZ2-CG2 3.44Å; W395-I460 HydrophobicContact CZ3-CG2 4.34Å; W395-I460 PolarHBondContact N-O 3.31Å; W395-I460 VanDerWaalsContact N-O 3.1Å; W395-I460 PolarHBondContact O-N 3.46Å; W395-L462 HydrophobicContact CZ3-CB 4.29Å; W395-P493 HydrophobicContact CH2-CB 4.35Å; W395-P493 HydrophobicContact CH2-CG 4.04Å; W395-P493 HydrophobicContact CZ2-CB 3.78Å; W395-P493 HydrophobicContact CZ2-CG 3.97Å; W395-P493 HydrophobicContact CZ3-CG 4.47Å; W395-F495 AromaticContact NE1-CE1 3.98Å; W395-F495 AromaticContact NE1-CZ 3.98Å
396	E	92.1	Very high	92.5	Very high	3 Å²	3	36.8 Å²	36.8	1%	0.014	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	140.2	179	-63.9	-175.3	-167.6	0	0	111.3	Y394 R457 V458 V474 I511 R512 P514	Y394-E396 HydrophobicContact CE1-CG 3.53Å; Y394-E396 WeakPolarHBondContact OH-CG 3.4Å; Y394-E396 PolarHBondContact OH-OE1 2.87Å; E396-R457 HydrophobicContact CB-CG 4.11Å; E396-R457 WeakPolarHBondContact OE2-CD 3.28Å; E396-R457 IonicContact OE2-NH1 2.82Å; E396-V458 WeakPolarHBondContact CA-O 3.41Å; E396-V474 HydrophobicContact CG-CG2 4.23Å; E396-I511 WeakPolarHBondContact O-CA 3.49Å; E396-R512 PolarHBondContact O-N 3.26Å; E396-P514 HydrophobicContact CG-CG 4.48Å; E396-P514 WeakPolarHBondContact OE1-CA 3.03Å
397	V	95.1	Very high	92.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	114.9	177.8	-171.6	0	0	0	0	109.3	V399 V407 R457 V458 I460 F495 L509 T510	V397-V399 HydrophobicContact CG1-CG1 4.45Å; V397-V399 PolarHBondContact O-N 3.3Å; V397-V407 HydrophobicContact CB-CG1 4.4Å; V397-V407 HydrophobicContact CG1-CG1 4.14Å; V397-V407 HydrophobicContact CG2-CG1 4.39Å; V397-R457 CarbonylContact O-C 3.56Å; V397-R457 WeakPolarHBondContact O-CA 3.4Å; V397-V458 PolarHBondContact N-O 2.94Å; V397-V458 PolarHBondContact O-N 3.46Å; V397-I460 HydrophobicContact CB-CD1 4.48Å; V397-I460 HydrophobicContact CG2-CD1 3.8Å; V397-F495 HydrophobicContact CG1-CD1 4.45Å; V397-F495 HydrophobicContact CG2-CD1 4.03Å; V397-F495 HydrophobicContact CG2-CE1 3.58Å; V397-L509 HydrophobicContact CG1-CB 4.12Å; V397-L509 HydrophobicContact CG1-CD2 4.26Å; V397-T510 CarbonylContact C-O 3.11Å
398	E	95.9	Very high	92.9	Very high	51 Å²	51	30.3 Å²	30.3	24%	0.238	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	115.5	168.6	-176	158.1	-106.6	0	0	109.2	R457 T510 R512	E398-R457 IonicContact OE1-CZ 3.18Å; E398-R457 IonicContact OE1-NE 3.83Å; E398-R457 IonicContact OE1-NH2 3.02Å; E398-R457 PolarHBondContact OE1-NH2 3.14Å; E398-T510 WeakPolarHBondContact CB-O 3.33Å; E398-T510 PolarHBondContact N-O 3.06Å; E398-T510 PolarHBondContact O-N 2.67Å; E398-R512 HydrophobicContact CB-CG 3.97Å; E398-R512 IonicContact OE2-CZ 2.8Å; E398-R512 IonicContact OE2-NE 2.74Å; E398-R512 PolarHBondContact OE2-NE 2.96Å; E398-R512 IonicContact OE2-NH2 2.71Å; E398-R512 PolarHBondContact OE2-NH2 2.9Å
399	V	95.9	Very high	93.1	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	17%	0.165	C	C	.	.			trans	-103.6	-16.1	178.5	-61.6	0	0	0	0	111.6	V397 K402 W405 P455 K456 V458 L509	V397-V399 HydrophobicContact CG1-CG1 4.45Å; V397-V399 PolarHBondContact O-N 3.3Å; V399-K402 WeakPolarHBondContact O-CB 2.99Å; V399-K402 WeakPolarHBondContact O-CD 3.4Å; V399-K402 WeakPolarHBondContact O-CG 3.13Å; V399-K402 PolarHBondContact O-N 2.96Å; V399-W405 HydrophobicContact CB-CD2 4.43Å; V399-W405 HydrophobicContact CB-CG 4.49Å; V399-W405 HydrophobicContact CB-CZ2 4.42Å; V399-W405 HydrophobicContact CG1-CD2 3.92Å; V399-W405 HydrophobicContact CG1-CE3 4.37Å; V399-W405 HydrophobicContact CG1-CG 4.25Å; V399-W405 HydrophobicContact CG1-CZ2 4.14Å; V399-W405 HydrophobicContact CG2-CZ2 4.19Å; V399-P455 WeakPolarHBondContact CG2-O 3.38Å; V399-K456 WeakPolarHBondContact CG2-O 3.32Å; V399-K456 PolarHBondContact N-O 3.22Å; V399-V458 HydrophobicContact CG1-CG2 4.13Å; V399-V458 HydrophobicContact CG2-CG2 4.29Å; V399-L509 HydrophobicContact CB-CD2 4.11Å; V399-L509 HydrophobicContact CG1-CD2 3.71Å
400	G	92.7	Very high	93.2	Very high	23 Å²	23	25.6 Å²	25.6	24%	0.237	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	-140.8	179.6	0	0	0	0	0	112.9	K402 K456	G400-K402 VanDerWaalsContact C-N 3.26Å; G400-K402 PolarHBondContact O-N 3.45Å; G400-K456 PolarHBondContact N-O 3.29Å
401	D	91.6	Very high	93.4	Very high	111 Å²	111	25.1 Å²	25.1	59%	0.594	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	17.4	179.9	-63.5	-51.2	0	0	0	113.8	K454	D401-K454 PolarHBondContact O-NZ 2.83Å
402	K	93.5	Very high	94	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.017	13%	0.134	C	C	.	.			trans	-53.2	152.9	179	-72.2	179	69.3	57.6	0	111.9	V399 G400 L433 K454 P497 N505 A507 L509	V399-K402 WeakPolarHBondContact O-CB 2.99Å; V399-K402 WeakPolarHBondContact O-CD 3.4Å; V399-K402 WeakPolarHBondContact O-CG 3.13Å; V399-K402 PolarHBondContact O-N 2.96Å; G400-K402 VanDerWaalsContact C-N 3.26Å; G400-K402 PolarHBondContact O-N 3.45Å; K402-L433 VanDerWaalsContact O-CD2 3.29Å; K402-L433 WeakPolarHBondContact O-CD2 3.26Å; K402-K454 PolarHBondContact O-NZ 3.46Å; K402-P497 WeakPolarHBondContact CE-O 3.35Å; K402-P497 PolarHBondContact NZ-O 3.42Å; K402-N505 VanDerWaalsContact CB-OD1 3.27Å; K402-N505 WeakPolarHBondContact CB-OD1 3.39Å; K402-N505 PolarHBondContact NZ-ND2 2.84Å; K402-N505 PolarHBondContact NZ-O 3.36Å; K402-N505 PolarHBondContact NZ-OD1 2.94Å; K402-A507 HydrophobicContact CD-CB 4.45Å; K402-A507 WeakPolarHBondContact CD-O 3.39Å; K402-A507 HydrophobicContact CG-CB 3.89Å; K402-A507 PolarHBondContact NZ-O 3.48Å; K402-L509 HydrophobicContact CD-CD2 3.75Å; K402-L509 HydrophobicContact CD-CG 4.39Å
403	T	93.3	Very high	94.4	Very high	39 Å²	39	25 Å²	25	24%	0.239	14%	0.138	C	C	.	.	S	Bend	trans	-110	-11.4	-177.4	53	0	0	0	0	113.3	W434 N435 G436 K504 N505	T403-W434 CarbonylContact O-C 3.58Å; T403-N435 PolarHBondContact O-N 2.8Å; T403-G436 PolarHBondContact O-N 3.38Å; T403-K504 PolarHBondContact OG1-O 3.42Å; T403-N505 PolarHBondContact N-OD1 3.19Å
404	H	94.1	Very high	94.6	Very high	48 Å²	48	23.6 Å²	23.6	22%	0.222	13%	0.132	C	C	.	.	S	Bend	trans	-150	129	176.1	-167.8	-118.2	0	0	0	110.8	L433 W434 Y496 P497 G498 N505	H404-L433 VanDerWaalsContact CA-O 3.32Å; H404-L433 WeakPolarHBondContact CA-O 3.33Å; H404-L433 PolarHBondContact CD2-O 2.92Å; H404-W434 VanDerWaalsContact CD2-CB 3.43Å; H404-W434 WeakPolarHBondContact CD2-CB 3.2Å; H404-Y496 AromaticContact CE1-CE1 3.39Å; H404-Y496 WeakPolarHBondContact CE1-CE1 3.4Å; H404-Y496 AromaticContact CE1-CZ 3.74Å; H404-Y496 PolarHBondContact CE1-OH 3.06Å; H404-Y496 AromaticContact ND1-CE1 3.64Å; H404-Y496 AromaticContact ND1-CZ 3.94Å; H404-P497 CarbonylContact O-C 3.55Å; H404-G498 VanDerWaalsContact ND1-CA 3.33Å; H404-G498 WeakPolarHBondContact ND1-CA 3.33Å; H404-N505 PolarHBondContact N-OD1 2.93Å; H404-N505 PolarHBondContact O-ND2 3.32Å; H404-N505 PolarHBondContact O-OD1 3.09Å
405	W	96.6	Very high	94.5	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.008	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	164.5	173.9	50.8	-100.2	0	0	0	110.7	V399 V407 V431 R432 L433 Y439 P455 V458 Y496 L509	V399-W405 HydrophobicContact CB-CD2 4.43Å; V399-W405 HydrophobicContact CB-CG 4.49Å; V399-W405 HydrophobicContact CB-CZ2 4.42Å; V399-W405 HydrophobicContact CG1-CD2 3.92Å; V399-W405 HydrophobicContact CG1-CE3 4.37Å; V399-W405 HydrophobicContact CG1-CG 4.25Å; V399-W405 HydrophobicContact CG1-CZ2 4.14Å; V399-W405 HydrophobicContact CG2-CZ2 4.19Å; W405-V407 HydrophobicContact CE3-CG1 4.47Å; W405-V407 HydrophobicContact CE3-CG2 4.23Å; W405-V407 HydrophobicContact CZ3-CG2 3.9Å; W405-V431 HydrophobicContact CH2-CG1 4.45Å; W405-V431 HydrophobicContact CZ3-CG1 4.37Å; W405-R432 CarbonylContact O-C 3.56Å; W405-R432 VanDerWaalsContact O-CA 3.24Å; W405-R432 WeakPolarHBondContact O-CA 3.43Å; W405-R432 WeakPolarHBondContact O-CB 3.26Å; W405-L433 HydrophobicContact CD2-CB 3.88Å; W405-L433 VanDerWaalsContact CE2-CB 3.46Å; W405-L433 HydrophobicContact CG-CB 4.22Å; W405-L433 HydrophobicContact CH2-CB 4.37Å; W405-L433 HydrophobicContact CZ2-CB 3.76Å; W405-L433 HydrophobicContact CZ2-CD2 4.39Å; W405-L433 PolarHBondContact N-O 2.96Å; W405-L433 VanDerWaalsContact N-O 3.13Å; W405-L433 VanDerWaalsContact NE1-CD2 3.27Å; W405-L433 PolarHBondContact O-N 3.14Å; W405-Y439 HydrophobicContact CH2-CD1 4.47Å; W405-Y439 HydrophobicContact CH2-CE1 4.34Å; W405-Y439 HydrophobicContact CZ2-CD1 4.44Å; W405-Y439 AromaticContact CZ2-CE1 3.9Å; W405-Y439 HydrophobicContact CZ2-CE1 3.9Å; W405-P455 HydrophobicContact CZ2-CG 4.26Å; W405-V458 HydrophobicContact CH2-CG2 3.78Å; W405-V458 HydrophobicContact CZ2-CG2 4.15Å; W405-V458 HydrophobicContact CZ3-CG2 4.42Å; W405-Y496 CarbonylContact C-O 3.51Å; W405-Y496 WeakPolarHBondContact CA-O 3.38Å; W405-Y496 WeakPolarHBondContact CB-O 3.37Å; W405-L509 HydrophobicContact CB-CD1 4.41Å; W405-L509 HydrophobicContact CB-CD2 4.13Å; W405-L509 HydrophobicContact CG-CD2 4.43Å
406	A	97.6	Very high	94.4	Very high	2 Å²	2	28.1 Å²	28.1	2%	0.017	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	143.1	164.3	0	0	0	0	0	110.1	V431 R432 Y496	A406-V431 VanDerWaalsContact CA-O 3.3Å; A406-V431 WeakPolarHBondContact CA-O 3.39Å; A406-R432 HydrophobicContact CB-CB 3.68Å; A406-Y496 HydrophobicContact CB-CD1 3.79Å; A406-Y496 HydrophobicContact CB-CG 4.39Å; A406-Y496 PolarHBondContact N-O 3.37Å; A406-Y496 WeakPolarHBondContact O-CA 3.46Å; A406-Y496 WeakPolarHBondContact O-CB 3.41Å; A406-Y496 PolarHBondContact O-N 3.44Å
407	V	98.4	Very high	94.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	151	176.8	-65.3	0	0	0	0	109.6	V397 W405 R430 V431 V458 I460 F471 F495 L509	V397-V407 HydrophobicContact CB-CG1 4.4Å; V397-V407 HydrophobicContact CG1-CG1 4.14Å; V397-V407 HydrophobicContact CG2-CG1 4.39Å; W405-V407 HydrophobicContact CE3-CG1 4.47Å; W405-V407 HydrophobicContact CE3-CG2 4.23Å; W405-V407 HydrophobicContact CZ3-CG2 3.9Å; V407-R430 VanDerWaalsContact O-CA 3.26Å; V407-R430 WeakPolarHBondContact O-CA 3.33Å; V407-R430 WeakPolarHBondContact O-CB 3.09Å; V407-V431 PolarHBondContact N-O 2.91Å; V407-V431 PolarHBondContact O-N 3.17Å; V407-V458 HydrophobicContact CG2-CG1 4.12Å; V407-I460 HydrophobicContact CG2-CD1 4.22Å; V407-I460 HydrophobicContact CG2-CG1 4.49Å; V407-F471 HydrophobicContact CG2-CE1 4.3Å; V407-F471 WeakPolarHBondContact O-CE1 3.42Å; V407-F495 HydrophobicContact CG1-CD1 4.49Å; V407-L509 HydrophobicContact CG1-CD1 4.19Å
408	G	98.1	Very high	93.7	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.5	-142	177.8	0	0	0	0	0	111.4	W429 L494	G408-W429 VanDerWaalsContact CA-O 3.27Å; G408-W429 WeakPolarHBondContact CA-O 3.39Å; G408-L494 PolarHBondContact N-O 3Å; G408-L494 PolarHBondContact O-N 3.42Å
409	V	98.2	Very high	93.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	162.2	178.3	-52.4	0	0	0	0	112	W395 W429 L469 L491 W492	W395-V409 HydrophobicContact CH2-CG1 3.75Å; W395-V409 HydrophobicContact CZ2-CG1 4.02Å; V409-W429 HydrophobicContact CG2-CB 4.38Å; V409-W429 HydrophobicContact CG2-CE3 3.8Å; V409-W429 HydrophobicContact CG2-CZ3 4.48Å; V409-W429 PolarHBondContact N-O 3.36Å; V409-W429 PolarHBondContact O-N 3.22Å; V409-L469 HydrophobicContact CB-CD2 4.45Å; V409-L469 HydrophobicContact CG1-CD1 3.97Å; V409-L469 HydrophobicContact CG1-CD2 4.24Å; V409-L469 HydrophobicContact CG2-CD1 4.45Å; V409-L469 HydrophobicContact CG2-CD2 3.66Å; V409-L491 HydrophobicContact CB-CB 4.46Å; V409-L491 HydrophobicContact CG2-CB 4.47Å; V409-L491 HydrophobicContact CG2-CD1 4.15Å; V409-L491 HydrophobicContact CG2-CD2 4.48Å; V409-W492 CarbonylContact C-O 3.51Å; V409-W492 WeakPolarHBondContact CA-O 3.44Å; V409-W492 WeakPolarHBondContact CB-O 3.39Å
410	C	96.7	Very high	92.4	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	158.7	167.6	69.6	0	0	0	0	112.9	V414 G427 Y428 L491 W492 L494	C410-V414 HydrophobicContact CB-CG1 4.38Å; C410-V414 HydrophobicContact CB-CG2 4.08Å; C410-G427 CarbonylContact C-O 3.57Å; C410-G427 WeakPolarHBondContact CA-O 3.33Å; C410-G427 WeakPolarHBondContact CB-O 3.34Å; C410-Y428 HydrophobicContact CB-CD1 3.5Å; C410-Y428 VanDerWaalsContact CB-CD1 3.5Å; C410-Y428 HydrophobicContact CB-CE1 3.62Å; C410-Y428 HydrophobicContact CB-CG 4.14Å; C410-L491 CarbonylContact O-C 2.98Å; C410-L491 WeakPolarHBondContact O-CA 3.39Å; C410-W492 PolarHBondContact N-O 2.88Å; C410-W492 PolarHBondContact O-N 3.34Å; C410-L494 HydrophobicContact CB-CD1 4.15Å
411	R	96.2	Very high	92.1	Very high	52 Å²	52	43.8 Å²	43.8	20%	0.196	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	159.2	172.8	-62.5	-174.6	176.3	136.5	8.1	111.4	V414 G427 W429 E489 L491	R411-V414 HydrophobicContact CB-CG1 4.04Å; R411-V414 VanDerWaalsContact O-CG2 3.27Å; R411-V414 WeakPolarHBondContact O-CG2 3.43Å; R411-G427 PolarHBondContact N-O 2.91Å; R411-W429 HydrophobicContact CG-CH2 3.57Å; R411-W429 HydrophobicContact CG-CZ3 3.72Å; R411-E489 HydrophobicContact CB-CB 4.45Å; R411-E489 WeakPolarHBondContact CD-OE1 3.5Å; R411-L491 HydrophobicContact CG-CD2 4.08Å
412	D	94.9	Very high	92	Very high	68 Å²	68	39.4 Å²	39.4	36%	0.364	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-37.2	176.6	-169.9	45.8	0	0	0	113.2	V414 R416 K490 W492	D412-V414 PolarHBondContact O-N 3.19Å; D412-R416 PolarHBondContact O-NH1 3.29Å; D412-R416 IonicContact OD1-NH2 3.89Å; D412-K490 HydrophobicContact CB-CB 4.23Å; D412-K490 PolarHBondContact N-O 3.48Å; D412-W492 PolarHBondContact OD1-NE1 2.82Å
413	S	93.4	Very high	92.1	Very high	79 Å²	79	40.5 Å²	40.5	55%	0.552	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-11.1	-179.7	57.8	0	0	0	0	115.3	S415 E489	S413-S415 PolarHBondContact O-N 3.43Å; S413-E489 WeakPolarHBondContact CB-OE2 3.23Å; S413-E489 PolarHBondContact N-OE2 3.24Å; S413-E489 VanDerWaalsContact OG-CD 3.23Å; S413-E489 PolarHBondContact OG-OE1 3.27Å; S413-E489 PolarHBondContact OG-OE2 3.37Å
414	V	91.5	Very high	92.2	Very high	10 Å²	10	39.3 Å²	39.3	6%	0.061	22%	0.22	C	C	.	.			trans	-63.9	134.8	-176.9	-55.4	0	0	0	0	111.3	C410 R411 D412 R416 T426 Y428	C410-V414 HydrophobicContact CB-CG1 4.38Å; C410-V414 HydrophobicContact CB-CG2 4.08Å; R411-V414 HydrophobicContact CB-CG1 4.04Å; R411-V414 VanDerWaalsContact O-CG2 3.27Å; R411-V414 WeakPolarHBondContact O-CG2 3.43Å; D412-V414 PolarHBondContact O-N 3.19Å; V414-R416 PolarHBondContact O-N 3.48Å; V414-R416 PolarHBondContact O-NH1 3.46Å; V414-T426 WeakPolarHBondContact CG1-O 3.32Å; V414-Y428 HydrophobicContact CB-CE2 3.89Å; V414-Y428 HydrophobicContact CG1-CD2 4.34Å; V414-Y428 HydrophobicContact CG1-CE2 3.82Å; V414-Y428 HydrophobicContact CG2-CE1 4.31Å; V414-Y428 HydrophobicContact CG2-CE2 4.31Å; V414-Y428 WeakPolarHBondContact CG2-OH 3.27Å
415	S	86.8	Confident	92	Very high	67 Å²	67	42.9 Å²	42.9	47%	0.469	24%	0.237	S	C	.	.			trans	-64.8	129.8	170.5	179.2	0	0	0	0	109.7	S413 K417 Y428	S413-S415 PolarHBondContact O-N 3.43Å; S415-K417 VanDerWaalsContact C-N 3.26Å; S415-K417 PolarHBondContact OG-N 2.94Å; S415-K417 PolarHBondContact OG-O 2.97Å; S415-Y428 PolarHBondContact O-OH 2.93Å
416	R	89.5	Confident	91.8	Very high	30 Å²	30	45 Å²	45	11%	0.113	25%	0.25	C	S	.	.	S	Bend	trans	-88.9	4.3	169	-61.7	108.8	169.4	142.7	-1	112.5	P373 R374 F376 T377 D412 V414	P373-R416 VanDerWaalsContact O-CD 3.23Å; P373-R416 WeakPolarHBondContact O-CD 3.27Å; R374-R416 VanDerWaalsContact O-CD 3.31Å; R374-R416 WeakPolarHBondContact O-CD 3.32Å; F376-R416 WeakPolarHBondContact CA-O 3.12Å; F376-R416 HydrophobicContact CD1-CB 3.69Å; F376-R416 HydrophobicContact CD1-CG 3.94Å; F376-R416 HydrophobicContact CD2-CB 4.44Å; F376-R416 HydrophobicContact CD2-CG 4.11Å; F376-R416 HydrophobicContact CE1-CB 3.86Å; F376-R416 HydrophobicContact CE1-CG 3.66Å; F376-R416 HydrophobicContact CE2-CG 3.85Å; F376-R416 HydrophobicContact CG-CB 4Å; F376-R416 HydrophobicContact CG-CG 4.15Å; F376-R416 HydrophobicContact CZ-CB 4.31Å; F376-R416 HydrophobicContact CZ-CG 3.61Å; T377-R416 PolarHBondContact N-O 2.93Å; D412-R416 PolarHBondContact O-NH1 3.29Å; D412-R416 IonicContact OD1-NH2 3.89Å; V414-R416 PolarHBondContact O-N 3.48Å; V414-R416 PolarHBondContact O-NH1 3.46Å
417	K	88.1	Confident	91.7	Very high	64 Å²	64	44.9 Å²	44.9	28%	0.278	25%	0.25	S	C	.	.	S	Bend	trans	-115.3	143.2	-177.4	-50.6	-60.4	-178.1	-175.1	0	110.4	D371 T372 R375 T377 S415	D371-K417 IonicContact OD1-NZ 2.64Å; D371-K417 PolarHBondContact OD1-NZ 3.3Å; T372-K417 VanDerWaalsContact O-CE 3.26Å; T372-K417 WeakPolarHBondContact O-CE 3.19Å; T372-K417 PolarHBondContact O-NZ 2.91Å; R375-K417 WeakPolarHBondContact O-CE 3.25Å; R375-K417 PolarHBondContact O-NZ 2.81Å; T377-K417 HydrophobicContact CG2-CD 4.41Å; T377-K417 VanDerWaalsContact OG1-CD 3.24Å; T377-K417 WeakPolarHBondContact OG1-CD 3.24Å; S415-K417 VanDerWaalsContact C-N 3.26Å; S415-K417 PolarHBondContact OG-N 2.94Å; S415-K417 PolarHBondContact OG-O 2.97Å
418	G	84.7	Confident	91.6	Very high	41 Å²	41	45.4 Å²	45.4	42%	0.423	25%	0.252	S	S	.	.	S	Bend	trans	82.2	174.9	174.6	0	0	0	0	0	114.8	F378	F378-G418 WeakPolarHBondContact CB-O 3.32Å; F378-G418 WeakPolarHBondContact CD1-O 3.32Å; F378-G418 WeakPolarHBondContact CG-O 3.36Å
419	E	82.6	Confident	91.6	Very high	159 Å²	159	45.4 Å²	45.4	74%	0.743	25%	0.252	S	S	*	.			trans	-82.4	125.6	176.1	-169.9	167.8	-170	0	0	110	F378	F378-E419 HydrophobicContact CD1-CB 4.4Å; F378-E419 HydrophobicContact CE1-CB 3.68Å; F378-E419 HydrophobicContact CE1-CG 3.73Å; F378-E419 HydrophobicContact CE2-CB 4.09Å; F378-E419 HydrophobicContact CZ-CB 3.5Å; F378-E419 VanDerWaalsContact CZ-CB 3.5Å; F378-E419 HydrophobicContact CZ-CG 3.73Å
420	L	81.8	Confident	91.6	Very high	62 Å²	62	46.2 Å²	46.2	33%	0.325	26%	0.255	S	S	.	.			trans	-149.2	129.2	179.8	179.9	70.7	0	0	0	108.2	Y379 P422 T426 Y428	Y379-L420 VanDerWaalsContact CE2-O 3.26Å; Y379-L420 WeakPolarHBondContact CE2-O 3.47Å; Y379-L420 PolarHBondContact OH-N 3.31Å; Y379-L420 PolarHBondContact OH-O 3.42Å; Y379-L420 VanDerWaalsContact OH-O 3.14Å; L420-P422 WeakPolarHBondContact O-CD 3.46Å; L420-T426 HydrophobicContact CD1-CG2 3.95Å; L420-T426 HydrophobicContact CG-CG2 4.4Å; L420-Y428 HydrophobicContact CD2-CE2 3.81Å
421	T	86.9	Confident	91.6	Very high	82 Å²	82	46.2 Å²	46.2	50%	0.503	26%	0.255	S	S	.	.			trans	-70	115.8	174.5	-49.1	0	0	0	0	109	L423 T426	T421-L423 HydrophobicContact CG2-CD1 3.78Å; T421-L423 HydrophobicContact CG2-CD2 4.47Å; T421-L423 HydrophobicContact CG2-CG 3.88Å; T421-L423 PolarHBondContact O-N 2.92Å; T421-L423 VanDerWaalsContact O-N 3.14Å; T421-T426 PolarHBondContact O-OG1 3.16Å
422	P	90	Very high	91.7	Very high	19 Å²	19	46.8 Å²	46.8	12%	0.123	26%	0.257	C	S	.	.			trans	-83.2	97.3	-172.2	32.9	-36.9	0	0	0	111.5	L420 Y428 R430	L420-P422 WeakPolarHBondContact O-CD 3.46Å; P422-Y428 HydrophobicContact CB-CD1 4.17Å; P422-Y428 HydrophobicContact CB-CD2 4.06Å; P422-Y428 HydrophobicContact CB-CG 3.84Å; P422-R430 VanDerWaalsContact CG-CZ 3.44Å
423	L	94.6	Very high	91.7	Very high	26 Å²	26	43.6 Å²	43.6	14%	0.136	24%	0.24	C	C	.	.			trans	-131.6	162.1	-172.5	-66.5	166.2	0	0	0	110.5	T421 E425 T426 G427 Y428 T442 T443 T444 F446	T421-L423 HydrophobicContact CG2-CD1 3.78Å; T421-L423 HydrophobicContact CG2-CD2 4.47Å; T421-L423 HydrophobicContact CG2-CG 3.88Å; T421-L423 PolarHBondContact O-N 2.92Å; T421-L423 VanDerWaalsContact O-N 3.14Å; L423-E425 VanDerWaalsContact CB-OE2 3.26Å; L423-E425 WeakPolarHBondContact CB-OE2 3.29Å; L423-E425 PolarHBondContact O-N 2.91Å; L423-T426 PolarHBondContact N-OG1 3.02Å; L423-T426 CarbonylContact O-C 3.55Å; L423-T426 PolarHBondContact O-N 3.45Å; L423-T426 PolarHBondContact O-OG1 2.63Å; L423-G427 PolarHBondContact O-N 3Å; L423-G427 VanDerWaalsContact O-N 3.14Å; L423-Y428 CarbonylContact C-O 3.41Å; L423-Y428 PolarHBondContact O-N 2.95Å; L423-T442 VanDerWaalsContact CD2-O 3.32Å; L423-T442 WeakPolarHBondContact CD2-O 3.38Å; L423-T443 WeakPolarHBondContact CD2-O 3.3Å; L423-T444 WeakPolarHBondContact CD1-OG1 3.32Å; L423-T444 WeakPolarHBondContact CD2-OG1 3.33Å; L423-F446 HydrophobicContact CD2-CD1 4.06Å; L423-F446 HydrophobicContact CD2-CE1 3.52Å
424	P	94.4	Very high	91.7	Very high	14 Å²	14	43 Å²	43	9%	0.091	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-51.4	-42.5	173.6	-33.4	36.3	0	0	0	113.3	T426 G427 Y428 T442 F483	P424-T426 PolarHBondContact O-N 3.43Å; P424-G427 PolarHBondContact O-N 2.87Å; P424-Y428 WeakPolarHBondContact CA-O 3.1Å; P424-Y428 WeakPolarHBondContact CD-O 3.33Å; P424-T442 WeakPolarHBondContact CD-O 3.26Å; P424-F483 HydrophobicContact CG-CD1 4.1Å; P424-F483 HydrophobicContact CG-CE1 3.97Å
425	E	91.7	Very high	91.5	Very high	123 Å²	123	48.7 Å²	48.7	58%	0.575	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-65.5	-26.2	-179.1	-55.6	80.4	-173.5	0	0	112.2	L423 T444	L423-E425 VanDerWaalsContact CB-OE2 3.26Å; L423-E425 WeakPolarHBondContact CB-OE2 3.29Å; L423-E425 PolarHBondContact O-N 2.91Å; E425-T444 PolarHBondContact OE1-OG1 3.47Å; E425-T444 PolarHBondContact OE2-OG1 2.85Å
426	T	92.6	Very high	91.7	Very high	46 Å²	46	46.2 Å²	46.2	28%	0.282	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-97.5	9.9	175	62.1	0	0	0	0	113	V414 L420 T421 L423 P424 Y428	V414-T426 WeakPolarHBondContact CG1-O 3.32Å; L420-T426 HydrophobicContact CD1-CG2 3.95Å; L420-T426 HydrophobicContact CG-CG2 4.4Å; T421-T426 PolarHBondContact O-OG1 3.16Å; L423-T426 PolarHBondContact N-OG1 3.02Å; L423-T426 CarbonylContact O-C 3.55Å; L423-T426 PolarHBondContact O-N 3.45Å; L423-T426 PolarHBondContact O-OG1 2.63Å; P424-T426 PolarHBondContact O-N 3.43Å; T426-Y428 WeakPolarHBondContact O-CD2 3.48Å
427	G	94.6	Very high	91.8	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.01	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	27.5	174.3	0	0	0	0	0	115	C410 R411 L423 P424 W429	C410-G427 CarbonylContact C-O 3.57Å; C410-G427 WeakPolarHBondContact CA-O 3.33Å; C410-G427 WeakPolarHBondContact CB-O 3.34Å; R411-G427 PolarHBondContact N-O 2.91Å; L423-G427 PolarHBondContact O-N 3Å; L423-G427 VanDerWaalsContact O-N 3.14Å; P424-G427 PolarHBondContact O-N 2.87Å; G427-W429 WeakPolarHBondContact O-CZ3 3.18Å
428	Y	96	Very high	92.1	Very high	10 Å²	10	50.7 Å²	50.7	4%	0.039	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	125.2	178.4	-65.7	-94.3	0	0	0	112.5	C410 V414 S415 L420 P422 L423 P424 T426 L494	C410-Y428 HydrophobicContact CB-CD1 3.5Å; C410-Y428 VanDerWaalsContact CB-CD1 3.5Å; C410-Y428 HydrophobicContact CB-CE1 3.62Å; C410-Y428 HydrophobicContact CB-CG 4.14Å; V414-Y428 HydrophobicContact CB-CE2 3.89Å; V414-Y428 HydrophobicContact CG1-CD2 4.34Å; V414-Y428 HydrophobicContact CG1-CE2 3.82Å; V414-Y428 HydrophobicContact CG2-CE1 4.31Å; V414-Y428 HydrophobicContact CG2-CE2 4.31Å; V414-Y428 WeakPolarHBondContact CG2-OH 3.27Å; S415-Y428 PolarHBondContact O-OH 2.93Å; L420-Y428 HydrophobicContact CD2-CE2 3.81Å; P422-Y428 HydrophobicContact CB-CD1 4.17Å; P422-Y428 HydrophobicContact CB-CD2 4.06Å; P422-Y428 HydrophobicContact CB-CG 3.84Å; L423-Y428 CarbonylContact C-O 3.41Å; L423-Y428 PolarHBondContact O-N 2.95Å; P424-Y428 WeakPolarHBondContact CA-O 3.1Å; P424-Y428 WeakPolarHBondContact CD-O 3.33Å; T426-Y428 WeakPolarHBondContact O-CD2 3.48Å; Y428-L494 HydrophobicContact CD1-CD1 3.93Å; Y428-L494 HydrophobicContact CE1-CD1 3.71Å
429	W	98	Very high	92.8	Very high	1 Å²	1	49.6 Å²	49.6	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	108.3	175.5	-56.6	-99.8	0	0	0	109.5	G408 V409 R411 G427 L469 F483 D485 F487 L491	G408-W429 VanDerWaalsContact CA-O 3.27Å; G408-W429 WeakPolarHBondContact CA-O 3.39Å; V409-W429 HydrophobicContact CG2-CB 4.38Å; V409-W429 HydrophobicContact CG2-CE3 3.8Å; V409-W429 HydrophobicContact CG2-CZ3 4.48Å; V409-W429 PolarHBondContact N-O 3.36Å; V409-W429 PolarHBondContact O-N 3.22Å; R411-W429 HydrophobicContact CG-CH2 3.57Å; R411-W429 HydrophobicContact CG-CZ3 3.72Å; G427-W429 WeakPolarHBondContact O-CZ3 3.18Å; W429-L469 HydrophobicContact CB-CD2 3.62Å; W429-L469 WeakPolarHBondContact O-CD2 3.36Å; W429-F483 HydrophobicContact CB-CB 4.46Å; W429-F483 HydrophobicContact CB-CD1 4.31Å; W429-F483 HydrophobicContact CB-CD2 4.1Å; W429-F483 HydrophobicContact CB-CE2 4.38Å; W429-F483 HydrophobicContact CB-CG 4.04Å; W429-F483 AromaticContact CD1-CD1 3.71Å; W429-F483 AromaticContact CD1-CG 3.85Å; W429-F483 HydrophobicContact CG-CB 4.46Å; W429-F483 HydrophobicContact CG-CD1 4.41Å; W429-F483 HydrophobicContact CG-CG 4.35Å; W429-D485 HydrophobicContact CZ2-CB 4.3Å; W429-D485 VanDerWaalsContact CZ2-OD2 3.22Å; W429-D485 WeakPolarHBondContact CZ2-OD2 3.44Å; W429-D485 PolarHBondContact NE1-OD2 3.46Å; W429-F487 HydrophobicContact CD2-CE1 4.3Å; W429-F487 HydrophobicContact CH2-CD1 4.27Å; W429-F487 HydrophobicContact CH2-CE1 4.36Å; W429-F487 HydrophobicContact CZ2-CD1 4.24Å; W429-F487 HydrophobicContact CZ2-CE1 4.06Å; W429-L491 HydrophobicContact CE3-CD2 4.48Å; W429-L491 HydrophobicContact CH2-CD2 4.19Å; W429-L491 HydrophobicContact CZ3-CD2 3.67Å
430	R	98	Very high	93.5	Very high	17 Å²	17	42 Å²	42	6%	0.064	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	150.7	-167.5	-55.6	174.9	-56	152.7	31.4	112.3	V407 P422 T442 F483	V407-R430 VanDerWaalsContact O-CA 3.26Å; V407-R430 WeakPolarHBondContact O-CA 3.33Å; V407-R430 WeakPolarHBondContact O-CB 3.09Å; P422-R430 VanDerWaalsContact CG-CZ 3.44Å; R430-T442 HydrophobicContact CB-CG2 4.47Å; R430-T442 PolarHBondContact O-N 3.16Å; R430-T442 PolarHBondContact O-OG1 3.04Å; R430-F483 WeakPolarHBondContact O-CZ 3.25Å
431	V	98.2	Very high	94.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	141.1	164.1	171.8	0	0	0	0	108.4	W405 A406 V407 A440 L449 F471 I480 F483	W405-V431 HydrophobicContact CH2-CG1 4.45Å; W405-V431 HydrophobicContact CZ3-CG1 4.37Å; A406-V431 VanDerWaalsContact CA-O 3.3Å; A406-V431 WeakPolarHBondContact CA-O 3.39Å; V407-V431 PolarHBondContact N-O 2.91Å; V407-V431 PolarHBondContact O-N 3.17Å; V431-A440 WeakPolarHBondContact CA-O 3.3Å; V431-L449 HydrophobicContact CG1-CD1 3.89Å; V431-L449 HydrophobicContact CG2-CD1 4.18Å; V431-F471 HydrophobicContact CB-CD1 3.96Å; V431-F471 HydrophobicContact CB-CE1 4.19Å; V431-F471 HydrophobicContact CB-CG 4.19Å; V431-F471 HydrophobicContact CG2-CB 4.03Å; V431-F471 HydrophobicContact CG2-CD1 3.81Å; V431-F471 HydrophobicContact CG2-CD2 3.64Å; V431-F471 HydrophobicContact CG2-CE1 4.15Å; V431-F471 HydrophobicContact CG2-CE2 4.02Å; V431-F471 HydrophobicContact CG2-CG 3.53Å; V431-F471 HydrophobicContact CG2-CZ 4.25Å; V431-I480 HydrophobicContact CG1-CG2 4.11Å; V431-I480 HydrophobicContact CG2-CG2 4.33Å; V431-F483 HydrophobicContact CG2-CE2 4.48Å
432	R	96.4	Very high	94.7	Very high	63 Å²	63	35.2 Å²	35.2	24%	0.238	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	152.9	-179.5	70.5	174.8	-161.7	147.4	5.2	112.9	W405 A406 W434 Y439 A440 T442 F446	W405-R432 CarbonylContact O-C 3.56Å; W405-R432 VanDerWaalsContact O-CA 3.24Å; W405-R432 WeakPolarHBondContact O-CA 3.43Å; W405-R432 WeakPolarHBondContact O-CB 3.26Å; A406-R432 HydrophobicContact CB-CB 3.68Å; R432-W434 HydrophobicContact CG-CE3 4.28Å; R432-Y439 WeakPolarHBondContact O-CA 3.26Å; R432-A440 HydrophobicContact CG-CB 4.46Å; R432-A440 PolarHBondContact N-O 3.47Å; R432-A440 PolarHBondContact O-N 3.19Å; R432-T442 HydrophobicContact CG-CG2 4.33Å; R432-F446 VanDerWaalsContact CZ-CE2 3.48Å
433	L	96.1	Very high	94.9	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	137.4	165.3	173.8	59.4	0	0	0	109.6	K402 H404 W405 K438 Y439	K402-L433 VanDerWaalsContact O-CD2 3.29Å; K402-L433 WeakPolarHBondContact O-CD2 3.26Å; H404-L433 VanDerWaalsContact CA-O 3.32Å; H404-L433 WeakPolarHBondContact CA-O 3.33Å; H404-L433 PolarHBondContact CD2-O 2.92Å; W405-L433 HydrophobicContact CD2-CB 3.88Å; W405-L433 VanDerWaalsContact CE2-CB 3.46Å; W405-L433 HydrophobicContact CG-CB 4.22Å; W405-L433 HydrophobicContact CH2-CB 4.37Å; W405-L433 HydrophobicContact CZ2-CB 3.76Å; W405-L433 HydrophobicContact CZ2-CD2 4.39Å; W405-L433 PolarHBondContact N-O 2.96Å; W405-L433 VanDerWaalsContact N-O 3.13Å; W405-L433 VanDerWaalsContact NE1-CD2 3.27Å; W405-L433 PolarHBondContact O-N 3.14Å; L433-K438 CarbonylContact C-O 3.55Å; L433-K438 VanDerWaalsContact CA-O 3.3Å; L433-K438 WeakPolarHBondContact CA-O 3.46Å; L433-K438 VanDerWaalsContact CD1-O 3.27Å; L433-K438 WeakPolarHBondContact CD1-O 3.36Å; L433-Y439 HydrophobicContact CB-CD1 4.13Å; L433-Y439 HydrophobicContact CB-CE1 3.89Å; L433-Y439 HydrophobicContact CD1-CD1 4.01Å; L433-Y439 HydrophobicContact CD1-CD2 4.1Å; L433-Y439 HydrophobicContact CD1-CE1 3.6Å; L433-Y439 HydrophobicContact CD1-CE2 3.68Å; L433-Y439 HydrophobicContact CD1-CG 4.23Å; L433-Y439 HydrophobicContact CD2-CE1 4.17Å; L433-Y439 HydrophobicContact CG-CE1 4.06Å
434	W	92.3	Very high	94.8	Very high	66 Å²	66	38 Å²	38	25%	0.25	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	162.7	164.3	80.2	101.9	0	0	0	113.3	T403 H404 R432 G436 D437 K438 A440	T403-W434 CarbonylContact O-C 3.58Å; H404-W434 VanDerWaalsContact CD2-CB 3.43Å; H404-W434 WeakPolarHBondContact CD2-CB 3.2Å; R432-W434 HydrophobicContact CG-CE3 4.28Å; W434-G436 PolarHBondContact O-N 3.38Å; W434-D437 PolarHBondContact O-N 2.87Å; W434-K438 HydrophobicContact CD2-CB 3.53Å; W434-K438 HydrophobicContact CD2-CG 4.44Å; W434-K438 HydrophobicContact CE3-CB 3.75Å; W434-K438 HydrophobicContact CG-CB 4.19Å; W434-K438 HydrophobicContact CH2-CB 3.68Å; W434-K438 HydrophobicContact CZ2-CB 3.47Å; W434-K438 VanDerWaalsContact CZ2-CB 3.47Å; W434-K438 HydrophobicContact CZ2-CG 4.04Å; W434-K438 HydrophobicContact CZ3-CB 3.8Å; W434-K438 PolarHBondContact N-O 2.9Å; W434-K438 WeakPolarHBondContact O-CB 3.3Å; W434-K438 PolarHBondContact O-N 3.48Å; W434-A440 HydrophobicContact CH2-CB 4.01Å; W434-A440 HydrophobicContact CZ3-CB 3.57Å
435	N	89.2	Confident	94.7	Very high	130 Å²	130	42.8 Å²	42.8	70%	0.695	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	10.3	-175.3	-66.1	-8.2	0	0	0	115.5	T403 D437 K438	T403-N435 PolarHBondContact O-N 2.8Å; N435-D437 VanDerWaalsContact C-N 3.29Å; N435-D437 PolarHBondContact O-N 3.29Å; N435-K438 HydrophobicContact CB-CG 4.39Å
436	G	90.2	Very high	94.7	Very high	16 Å²	16	40.4 Å²	40.4	17%	0.165	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	-20.4	-179.5	0	0	0	0	0	115.6	T403 W434	T403-G436 PolarHBondContact O-N 3.38Å; W434-G436 PolarHBondContact O-N 3.38Å
437	D	91.2	Very high	94.9	Very high	92 Å²	92	40.5 Å²	40.5	49%	0.492	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.2	-8	-172.7	73.2	-32.9	0	0	0	114.6	W434 N435 Y439	W434-D437 PolarHBondContact O-N 2.87Å; N435-D437 VanDerWaalsContact C-N 3.29Å; N435-D437 PolarHBondContact O-N 3.29Å; D437-Y439 WeakPolarHBondContact O-CD2 3.41Å
438	K	95	Very high	95.1	Very high	95 Å²	95	44.8 Å²	44.8	41%	0.413	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	122.7	-178.3	-55	-51.4	179.2	-149.4	0	111.5	L433 W434 N435	L433-K438 CarbonylContact C-O 3.55Å; L433-K438 VanDerWaalsContact CA-O 3.3Å; L433-K438 WeakPolarHBondContact CA-O 3.46Å; L433-K438 VanDerWaalsContact CD1-O 3.27Å; L433-K438 WeakPolarHBondContact CD1-O 3.36Å; W434-K438 HydrophobicContact CD2-CB 3.53Å; W434-K438 HydrophobicContact CD2-CG 4.44Å; W434-K438 HydrophobicContact CE3-CB 3.75Å; W434-K438 HydrophobicContact CG-CB 4.19Å; W434-K438 HydrophobicContact CH2-CB 3.68Å; W434-K438 HydrophobicContact CZ2-CB 3.47Å; W434-K438 VanDerWaalsContact CZ2-CB 3.47Å; W434-K438 HydrophobicContact CZ2-CG 4.04Å; W434-K438 HydrophobicContact CZ3-CB 3.8Å; W434-K438 PolarHBondContact N-O 2.9Å; W434-K438 WeakPolarHBondContact O-CB 3.3Å; W434-K438 PolarHBondContact O-N 3.48Å; N435-K438 HydrophobicContact CB-CG 4.39Å
439	Y	98.1	Very high	95.1	Very high	18 Å²	18	45.3 Å²	45.3	7%	0.071	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.5	178.2	-61.8	-94.3	0	0	0	110.6	W405 R432 L433 D437 L449 I451 P455	W405-Y439 HydrophobicContact CH2-CD1 4.47Å; W405-Y439 HydrophobicContact CH2-CE1 4.34Å; W405-Y439 HydrophobicContact CZ2-CD1 4.44Å; W405-Y439 AromaticContact CZ2-CE1 3.9Å; W405-Y439 HydrophobicContact CZ2-CE1 3.9Å; R432-Y439 WeakPolarHBondContact O-CA 3.26Å; L433-Y439 HydrophobicContact CB-CD1 4.13Å; L433-Y439 HydrophobicContact CB-CE1 3.89Å; L433-Y439 HydrophobicContact CD1-CD1 4.01Å; L433-Y439 HydrophobicContact CD1-CD2 4.1Å; L433-Y439 HydrophobicContact CD1-CE1 3.6Å; L433-Y439 HydrophobicContact CD1-CE2 3.68Å; L433-Y439 HydrophobicContact CD1-CG 4.23Å; L433-Y439 HydrophobicContact CD2-CE1 4.17Å; L433-Y439 HydrophobicContact CG-CE1 4.06Å; D437-Y439 WeakPolarHBondContact O-CD2 3.41Å; Y439-L449 PolarHBondContact O-N 3.48Å; Y439-I451 HydrophobicContact CD1-CG1 4.01Å; Y439-I451 HydrophobicContact CD2-CB 3.82Å; Y439-I451 HydrophobicContact CD2-CG1 3.61Å; Y439-I451 HydrophobicContact CE2-CB 4.04Å; Y439-I451 HydrophobicContact CE2-CG1 4.22Å; Y439-I451 HydrophobicContact CE2-CG2 4.33Å; Y439-I451 HydrophobicContact CG-CB 4.24Å; Y439-I451 HydrophobicContact CG-CG1 3.51Å; Y439-P455 HydrophobicContact CE1-CG 3.79Å
440	A	97.9	Very high	94.7	Very high	1 Å²	1	54 Å²	54	1%	0.008	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	147.4	172.5	0	0	0	0	0	112.1	V431 R432 W434 T447	V431-A440 WeakPolarHBondContact CA-O 3.3Å; R432-A440 HydrophobicContact CG-CB 4.46Å; R432-A440 PolarHBondContact N-O 3.47Å; R432-A440 PolarHBondContact O-N 3.19Å; W434-A440 HydrophobicContact CH2-CB 4.01Å; W434-A440 HydrophobicContact CZ3-CB 3.57Å; A440-T447 CarbonylContact C-O 3.41Å; A440-T447 WeakPolarHBondContact CA-O 3.32Å; A440-T447 WeakPolarHBondContact CB-O 3.31Å
441	A	98	Very high	94.3	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	135.4	158.5	0	0	0	0	0	108.5	T443 T447 L449 Y481 F483	A441-T443 PolarHBondContact O-N 2.99Å; A441-T447 PolarHBondContact N-O 2.88Å; A441-T447 PolarHBondContact O-N 3.38Å; A441-L449 HydrophobicContact CB-CD1 4.25Å; A441-L449 HydrophobicContact CB-CD2 4.37Å; A441-Y481 HydrophobicContact CB-CD1 3.47Å; A441-Y481 VanDerWaalsContact CB-CD1 3.47Å; A441-Y481 HydrophobicContact CB-CD2 3.99Å; A441-Y481 HydrophobicContact CB-CE1 3.55Å; A441-Y481 HydrophobicContact CB-CE2 4.06Å; A441-Y481 HydrophobicContact CB-CG 3.69Å; A441-F483 HydrophobicContact CB-CE1 4.4Å; A441-F483 HydrophobicContact CB-CE2 4.26Å; A441-F483 HydrophobicContact CB-CZ 3.73Å
442	T	95.6	Very high	93.7	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.321	C	S	.	.			trans	-81.1	51.5	-174.4	59.8	0	0	0	0	112.8	L423 P424 R430 R432 F446	L423-T442 VanDerWaalsContact CD2-O 3.32Å; L423-T442 WeakPolarHBondContact CD2-O 3.38Å; P424-T442 WeakPolarHBondContact CD-O 3.26Å; R430-T442 HydrophobicContact CB-CG2 4.47Å; R430-T442 PolarHBondContact O-N 3.16Å; R430-T442 PolarHBondContact O-OG1 3.04Å; R432-T442 HydrophobicContact CG-CG2 4.33Å; T442-F446 HydrophobicContact CG2-CE2 4.42Å; T442-F446 HydrophobicContact CG2-CZ 4.33Å
443	T	95.7	Very high	93.3	Very high	21 Å²	21	61.8 Å²	61.8	13%	0.129	33%	0.325	C	S	.	.			trans	-78.5	177	172.9	51	0	0	0	0	112	L423 A441 P445 F446 T447 Y481 F483	L423-T443 WeakPolarHBondContact CD2-O 3.3Å; A441-T443 PolarHBondContact O-N 2.99Å; T443-P445 VanDerWaalsContact C-C 3.42Å; T443-P445 CarbonylContact C-O 3.49Å; T443-P445 WeakPolarHBondContact CB-O 3.47Å; T443-P445 CarbonylContact O-C 3.44Å; T443-P445 PolarHBondContact OG1-O 3.23Å; T443-F446 WeakPolarHBondContact O-CA 3.4Å; T443-F446 WeakPolarHBondContact O-CD1 3.25Å; T443-F446 PolarHBondContact O-N 3.43Å; T443-T447 WeakPolarHBondContact OG1-CB 3.39Å; T443-T447 PolarHBondContact OG1-N 3.37Å; T443-T447 PolarHBondContact OG1-OG1 3.21Å; T443-Y481 HydrophobicContact CG2-CE1 4.35Å; T443-Y481 WeakPolarHBondContact CG2-OH 3.49Å; T443-F483 HydrophobicContact CG2-CD1 4.23Å; T443-F483 HydrophobicContact CG2-CE1 3.65Å
444	T	90.8	Very high	93.1	Very high	83 Å²	83	65.3 Å²	65.3	51%	0.509	34%	0.341	S	S	.	.	S	Bend	trans	-111.6	109.8	172.3	-56.2	0	0	0	0	110.5	L423 E425	L423-T444 WeakPolarHBondContact CD1-OG1 3.32Å; L423-T444 WeakPolarHBondContact CD2-OG1 3.33Å; E425-T444 PolarHBondContact OE1-OG1 3.47Å; E425-T444 PolarHBondContact OE2-OG1 2.85Å
445	P	92.3	Very high	93.2	Very high	115 Å²	115	62.2 Å²	62.2	75%	0.747	33%	0.329	S	S	*	.	S	Bend	cis	-68.3	169.6	-11.9	33.1	-36.6	0	0	0	111.9	T443 T447	T443-P445 VanDerWaalsContact C-C 3.42Å; T443-P445 CarbonylContact C-O 3.49Å; T443-P445 WeakPolarHBondContact CB-O 3.47Å; T443-P445 CarbonylContact O-C 3.44Å; T443-P445 PolarHBondContact OG1-O 3.23Å; P445-T447 PolarHBondContact O-N 2.91Å
446	F	93.1	Very high	93.4	Very high	72 Å²	72	61.4 Å²	61.4	32%	0.316	32%	0.319	S	S	.	.			trans	-59.8	129.9	-179.4	-78.4	23	0	0	0	109.9	L423 R432 T442 T443 P448	L423-F446 HydrophobicContact CD2-CD1 4.06Å; L423-F446 HydrophobicContact CD2-CE1 3.52Å; R432-F446 VanDerWaalsContact CZ-CE2 3.48Å; T442-F446 HydrophobicContact CG2-CE2 4.42Å; T442-F446 HydrophobicContact CG2-CZ 4.33Å; T443-F446 WeakPolarHBondContact O-CA 3.4Å; T443-F446 WeakPolarHBondContact O-CD1 3.25Å; T443-F446 PolarHBondContact O-N 3.43Å; F446-P448 VanDerWaalsContact O-CD 3.27Å; F446-P448 WeakPolarHBondContact O-CD 3.45Å
447	T	96.6	Very high	93.6	Very high	49 Å²	49	62.2 Å²	62.2	30%	0.301	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	111.7	177.8	-62.6	0	0	0	0	109.2	A440 A441 T443 P445 L449 Y481	A440-T447 CarbonylContact C-O 3.41Å; A440-T447 WeakPolarHBondContact CA-O 3.32Å; A440-T447 WeakPolarHBondContact CB-O 3.31Å; A441-T447 PolarHBondContact N-O 2.88Å; A441-T447 PolarHBondContact O-N 3.38Å; T443-T447 WeakPolarHBondContact OG1-CB 3.39Å; T443-T447 PolarHBondContact OG1-N 3.37Å; T443-T447 PolarHBondContact OG1-OG1 3.21Å; P445-T447 PolarHBondContact O-N 2.91Å; T447-L449 HydrophobicContact CG2-CD2 4.3Å; T447-Y481 HydrophobicContact CG2-CE2 4.13Å
448	P	97.4	Very high	93.7	Very high	91 Å²	91	57.9 Å²	57.9	59%	0.591	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	136.6	174.6	-16.6	32.5	0	0	0	110.5	F446	F446-P448 VanDerWaalsContact O-CD 3.27Å; F446-P448 WeakPolarHBondContact O-CD 3.45Å
449	L	96.5	Very high	93.5	Very high	21 Å²	21	53.3 Å²	53.3	11%	0.11	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.8	-178.1	-57.1	173.9	0	0	0	110.1	V431 Y439 A441 T447 I451 I480 Y481	V431-L449 HydrophobicContact CG1-CD1 3.89Å; V431-L449 HydrophobicContact CG2-CD1 4.18Å; Y439-L449 PolarHBondContact O-N 3.48Å; A441-L449 HydrophobicContact CB-CD1 4.25Å; A441-L449 HydrophobicContact CB-CD2 4.37Å; T447-L449 HydrophobicContact CG2-CD2 4.3Å; L449-I451 HydrophobicContact CB-CD1 4.25Å; L449-I451 HydrophobicContact CB-CG1 4.37Å; L449-I451 PolarHBondContact O-N 3.39Å; L449-I480 HydrophobicContact CD1-CG2 3.65Å; L449-Y481 HydrophobicContact CD2-CD2 3.58Å; L449-Y481 HydrophobicContact CD2-CE2 4.37Å; L449-Y481 HydrophobicContact CD2-CG 4.11Å
450	H	90.3	Very high	93.3	Very high	183 Å²	183	52.5 Å²	52.5	85%	0.847	27%	0.271	S	S	*	.			trans	-93.2	98.2	178.7	-66.6	82.9	0	0	0	109.5
451	I	90	Very high	92.9	Very high	37 Å²	37	53.2 Å²	53.2	19%	0.19	27%	0.274	C	S	.	.			trans	-101.8	114.3	-176.9	-56.9	-57.3	0	0	0	109.2	Y439 L449 V453 I480	Y439-I451 HydrophobicContact CD1-CG1 4.01Å; Y439-I451 HydrophobicContact CD2-CB 3.82Å; Y439-I451 HydrophobicContact CD2-CG1 3.61Å; Y439-I451 HydrophobicContact CE2-CB 4.04Å; Y439-I451 HydrophobicContact CE2-CG1 4.22Å; Y439-I451 HydrophobicContact CE2-CG2 4.33Å; Y439-I451 HydrophobicContact CG-CB 4.24Å; Y439-I451 HydrophobicContact CG-CG1 3.51Å; L449-I451 HydrophobicContact CB-CD1 4.25Å; L449-I451 HydrophobicContact CB-CG1 4.37Å; L449-I451 PolarHBondContact O-N 3.39Å; I451-V453 WeakPolarHBondContact CG2-O 3.3Å; I451-I480 HydrophobicContact CD1-CG1 4.16Å; I451-I480 HydrophobicContact CD1-CG2 4.06Å
452	K	83.9	Confident	92.6	Very high	151 Å²	151	53.2 Å²	53.2	66%	0.657	27%	0.274	S	S	*	.	S	Bend	trans	-73.8	-48.4	-178.6	-66	-174.4	178.4	-172.6	0	112.3
453	V	88.3	Confident	92.2	Very high	55 Å²	55	54 Å²	54	33%	0.333	28%	0.278	S	S	.	.	S	Bend	trans	-107.5	126.3	178	-176.9	0	0	0	0	108.8	I451 P455 N473 T475 D476	I451-V453 WeakPolarHBondContact CG2-O 3.3Å; V453-P455 WeakPolarHBondContact O-CD 3.4Å; V453-N473 PolarHBondContact O-ND2 3.44Å; V453-T475 HydrophobicContact CG1-CG2 4.42Å; V453-D476 HydrophobicContact CB-CB 3.73Å; V453-D476 WeakPolarHBondContact CB-OD2 3.43Å; V453-D476 HydrophobicContact CG1-CB 4.06Å; V453-D476 HydrophobicContact CG2-CB 3.78Å
454	K	93.5	Very high	91.8	Very high	76 Å²	76	54.2 Å²	54.2	33%	0.33	28%	0.277	S	S	.	.			trans	-59.4	120.1	178.2	-178.8	172.6	-177.7	-175.3	0	110.6	D401 K402 K456	D401-K454 PolarHBondContact O-NZ 2.83Å; K402-K454 PolarHBondContact O-NZ 3.46Å; K454-K456 PolarHBondContact O-N 2.99Å
455	P	93.6	Very high	91.5	Very high	1 Å²	1	56 Å²	56	1%	0.006	28%	0.28	C	S	.	.			trans	-66.9	124.9	177.3	25.3	-34.9	0	0	0	110	V399 W405 Y439 V453 V458 N473	V399-P455 WeakPolarHBondContact CG2-O 3.38Å; W405-P455 HydrophobicContact CZ2-CG 4.26Å; Y439-P455 HydrophobicContact CE1-CG 3.79Å; V453-P455 WeakPolarHBondContact O-CD 3.4Å; P455-V458 HydrophobicContact CB-CG2 4.05Å; P455-V458 HydrophobicContact CG-CG2 4.43Å; P455-N473 VanDerWaalsContact CA-OD1 3.3Å; P455-N473 WeakPolarHBondContact CA-OD1 3.46Å; P455-N473 HydrophobicContact CB-CB 4.39Å; P455-N473 WeakPolarHBondContact CB-OD1 3.37Å
456	K	94	Very high	90.9	Very high	113 Å²	113	53.3 Å²	53.3	49%	0.491	27%	0.267	S	S	.	.	S	Bend	trans	-87.8	-18.7	162.1	-64.1	-172.9	175.9	-175.9	0	111.4	V399 G400 K454 T475	V399-K456 WeakPolarHBondContact CG2-O 3.32Å; V399-K456 PolarHBondContact N-O 3.22Å; G400-K456 PolarHBondContact N-O 3.29Å; K454-K456 PolarHBondContact O-N 2.99Å; K456-T475 HydrophobicContact CB-CG2 4.47Å; K456-T475 HydrophobicContact CG-CG2 4.42Å; K456-T475 PolarHBondContact N-OG1 2.95Å
457	R	92.9	Very high	90.7	Very high	33 Å²	33	50.1 Å²	50.1	13%	0.125	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	137.3	178.1	-172.3	171.7	-58.9	170.1	1.9	110.8	E396 V397 E398 V474 T475 T515	E396-R457 HydrophobicContact CB-CG 4.11Å; E396-R457 WeakPolarHBondContact OE2-CD 3.28Å; E396-R457 IonicContact OE2-NH1 2.82Å; V397-R457 CarbonylContact O-C 3.56Å; V397-R457 WeakPolarHBondContact O-CA 3.4Å; E398-R457 IonicContact OE1-CZ 3.18Å; E398-R457 IonicContact OE1-NE 3.83Å; E398-R457 IonicContact OE1-NH2 3.02Å; E398-R457 PolarHBondContact OE1-NH2 3.14Å; R457-V474 HydrophobicContact CB-CB 4.05Å; R457-V474 HydrophobicContact CG-CB 4.09Å; R457-V474 HydrophobicContact CG-CG1 4.4Å; R457-V474 HydrophobicContact CG-CG2 4.26Å; R457-V474 PolarHBondContact O-N 2.85Å; R457-T475 PolarHBondContact N-OG1 3.25Å; R457-T515 PolarHBondContact NH1-OG1 3.19Å
458	V	94.1	Very high	90.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125.2	-179.2	-179	0	0	0	0	108.9	E396 V397 V399 W405 V407 P455 I460 F471 Y472 I480	E396-V458 WeakPolarHBondContact CA-O 3.41Å; V397-V458 PolarHBondContact N-O 2.94Å; V397-V458 PolarHBondContact O-N 3.46Å; V399-V458 HydrophobicContact CG1-CG2 4.13Å; V399-V458 HydrophobicContact CG2-CG2 4.29Å; W405-V458 HydrophobicContact CH2-CG2 3.78Å; W405-V458 HydrophobicContact CZ2-CG2 4.15Å; W405-V458 HydrophobicContact CZ3-CG2 4.42Å; V407-V458 HydrophobicContact CG2-CG1 4.12Å; P455-V458 HydrophobicContact CB-CG2 4.05Å; P455-V458 HydrophobicContact CG-CG2 4.43Å; V458-I460 HydrophobicContact CG1-CD1 4.16Å; V458-I460 HydrophobicContact CG1-CG1 4.44Å; V458-I460 WeakPolarHBondContact O-CD1 3.24Å; V458-F471 HydrophobicContact CG1-CD1 4.28Å; V458-Y472 CarbonylContact C-O 3.52Å; V458-Y472 VanDerWaalsContact CA-O 3.31Å; V458-Y472 WeakPolarHBondContact CA-O 3.11Å; V458-I480 HydrophobicContact CG1-CD1 4.22Å
459	G	91.6	Very high	90.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	136.3	173.3	0	0	0	0	0	109.8	Y394 F471 Y472	Y394-G459 WeakPolarHBondContact OH-CA 3.21Å; G459-F471 CarbonylContact O-C 2.93Å; G459-F471 WeakPolarHBondContact O-CA 3.32Å; G459-Y472 PolarHBondContact N-O 2.96Å; G459-Y472 PolarHBondContact O-N 3.08Å
460	I	93	Very high	90	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125.6	179.3	-57.7	92.1	0	0	0	108	Y394 W395 V397 V407 V458 L469 S470 F471	Y394-I460 WeakPolarHBondContact CA-O 3.41Å; Y394-I460 WeakPolarHBondContact CD2-O 3.25Å; W395-I460 HydrophobicContact CD2-CB 4.2Å; W395-I460 HydrophobicContact CH2-CB 4.33Å; W395-I460 HydrophobicContact CH2-CG2 3.68Å; W395-I460 HydrophobicContact CZ2-CB 3.82Å; W395-I460 HydrophobicContact CZ2-CG2 3.44Å; W395-I460 VanDerWaalsContact CZ2-CG2 3.44Å; W395-I460 HydrophobicContact CZ3-CG2 4.34Å; W395-I460 PolarHBondContact N-O 3.31Å; W395-I460 VanDerWaalsContact N-O 3.1Å; W395-I460 PolarHBondContact O-N 3.46Å; V397-I460 HydrophobicContact CB-CD1 4.48Å; V397-I460 HydrophobicContact CG2-CD1 3.8Å; V407-I460 HydrophobicContact CG2-CD1 4.22Å; V407-I460 HydrophobicContact CG2-CG1 4.49Å; V458-I460 HydrophobicContact CG1-CD1 4.16Å; V458-I460 HydrophobicContact CG1-CG1 4.44Å; V458-I460 WeakPolarHBondContact O-CD1 3.24Å; I460-L469 HydrophobicContact CG2-CD1 3.65Å; I460-L469 HydrophobicContact CG2-CG 4.36Å; I460-S470 WeakPolarHBondContact CA-O 3.29Å; I460-F471 HydrophobicContact CG1-CD1 3.78Å; I460-F471 HydrophobicContact CG1-CE1 3.79Å; I460-F471 HydrophobicContact CG2-CE1 4.22Å
461	F	90.5	Very high	90.2	Very high	16 Å²	16	35.5 Å²	35.5	7%	0.07	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	118.6	178.7	-177	-115.9	0	0	0	109.9	L328 L332 L335 R392 H393 Y394 D463 L469 S470 Y472	L328-F461 HydrophobicContact CD1-CE2 4.45Å; L328-F461 HydrophobicContact CD1-CZ 4.1Å; L328-F461 HydrophobicContact CD2-CD2 4.37Å; L328-F461 HydrophobicContact CD2-CE2 4.37Å; L328-F461 HydrophobicContact CD2-CG 4.48Å; L328-F461 HydrophobicContact CD2-CZ 4.48Å; L332-F461 HydrophobicContact CD2-CD2 4.06Å; L332-F461 HydrophobicContact CD2-CE2 4.12Å; L335-F461 HydrophobicContact CD1-CE2 3.79Å; L335-F461 HydrophobicContact CD1-CZ 4.29Å; R392-F461 HydrophobicContact CB-CE2 4.02Å; R392-F461 HydrophobicContact CB-CZ 3.99Å; R392-F461 HydrophobicContact CG-CZ 4.21Å; H393-F461 WeakPolarHBondContact O-CA 3.32Å; Y394-F461 HydrophobicContact CD2-CB 3.92Å; Y394-F461 HydrophobicContact CD2-CD2 4.16Å; F461-D463 HydrophobicContact CE1-CB 4.07Å; F461-D463 HydrophobicContact CZ-CB 4.43Å; F461-L469 CarbonylContact O-C 3.45Å; F461-L469 WeakPolarHBondContact O-CA 3.43Å; F461-S470 PolarHBondContact N-O 3.28Å; F461-S470 PolarHBondContact O-N 3.08Å; F461-Y472 HydrophobicContact CB-CE2 3.83Å
462	L	90.8	Very high	90.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.9	172.5	173.6	64.5	0	0	0	108.5	F388 R392 H393 W395 L469 F487 L491	F388-L462 HydrophobicContact CB-CD2 3.89Å; F388-L462 HydrophobicContact CD2-CD2 3.73Å; F388-L462 HydrophobicContact CG-CD2 4.18Å; R392-L462 CarbonylContact C-O 3.58Å; R392-L462 WeakPolarHBondContact CA-O 3.38Å; H393-L462 HydrophobicContact CB-CB 4.48Å; H393-L462 PolarHBondContact N-O 3.29Å; H393-L462 PolarHBondContact O-N 2.89Å; W395-L462 HydrophobicContact CZ3-CB 4.29Å; L462-L469 HydrophobicContact CB-CD1 3.93Å; L462-L469 HydrophobicContact CD1-CD1 4.14Å; L462-F487 HydrophobicContact CD1-CD2 4.08Å; L462-F487 HydrophobicContact CD1-CE2 3.57Å; L462-F487 HydrophobicContact CD1-CZ 4.18Å; L462-L491 HydrophobicContact CD1-CD1 3.84Å; L462-L491 HydrophobicContact CD2-CD1 4.2Å
463	D	87.4	Confident	90.5	Very high	16 Å²	16	27.2 Å²	27.2	9%	0.086	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	101.6	162	-171	-34.8	0	0	0	107	R392 F461 A466 G467 T468	R392-D463 WeakPolarHBondContact CD-OD2 3.36Å; R392-D463 HydrophobicContact CG-CB 4.1Å; R392-D463 WeakPolarHBondContact CG-OD2 3.45Å; R392-D463 IonicContact CZ-OD2 3.74Å; R392-D463 IonicContact NE-OD2 2.75Å; R392-D463 PolarHBondContact NE-OD2 3.45Å; R392-D463 IonicContact NH2-OD2 3.9Å; F461-D463 HydrophobicContact CE1-CB 4.07Å; F461-D463 HydrophobicContact CZ-CB 4.43Å; D463-A466 HydrophobicContact CB-CB 3.9Å; D463-A466 VanDerWaalsContact OD1-CB 3.24Å; D463-A466 WeakPolarHBondContact OD1-CB 3.29Å; D463-A466 PolarHBondContact OD1-N 3.5Å; D463-G467 PolarHBondContact O-N 3.39Å; D463-T468 PolarHBondContact N-O 3.04Å; D463-T468 PolarHBondContact O-N 2.93Å
464	Y	86.9	Confident	90.4	Very high	27 Å²	27	25 Å²	25	11%	0.106	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-48.8	-170.8	-169.4	-81.8	0	0	0	111	T389 G391 G467 F487 E489 L491	T389-Y464 WeakPolarHBondContact O-CD1 3.3Å; T389-Y464 WeakPolarHBondContact O-CE1 3.47Å; G391-Y464 VanDerWaalsContact O-CB 3.28Å; G391-Y464 WeakPolarHBondContact O-CB 3.35Å; G391-Y464 PolarHBondContact O-N 3.34Å; Y464-G467 PolarHBondContact O-N 3.24Å; Y464-G467 VanDerWaalsContact O-N 3.13Å; Y464-F487 HydrophobicContact CD2-CB 4.1Å; Y464-F487 HydrophobicContact CD2-CD2 4.46Å; Y464-F487 HydrophobicContact CE1-CB 4.2Å; Y464-F487 HydrophobicContact CE2-CB 3.74Å; Y464-F487 HydrophobicContact CG-CB 4.49Å; Y464-F487 PolarHBondContact OH-O 3.29Å; Y464-E489 VanDerWaalsContact CE2-O 3.32Å; Y464-E489 WeakPolarHBondContact CE2-O 3.46Å; Y464-E489 PolarHBondContact OH-N 2.87Å; Y464-E489 PolarHBondContact OH-O 2.78Å; Y464-L491 HydrophobicContact CD2-CD1 4.28Å; Y464-L491 HydrophobicContact CE2-CD1 4.3Å; Y464-L491 HydrophobicContact CE2-CG 4.18Å
465	E	85.4	Confident	90	Very high	121 Å²	121	24.3 Å²	24.3	57%	0.565	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-35.9	-179.1	-69	74.4	-162.7	0	0	112.5	S390 G391 G467	S390-E465 VanDerWaalsContact CA-OE1 3.23Å; S390-E465 WeakPolarHBondContact CA-OE1 3.42Å; S390-E465 WeakPolarHBondContact CB-OE1 3.43Å; G391-E465 VanDerWaalsContact CA-OE2 3.22Å; G391-E465 WeakPolarHBondContact CA-OE2 3.28Å; G391-E465 PolarHBondContact N-OE1 2.87Å; G391-E465 PolarHBondContact N-OE2 2.87Å; E465-G467 PolarHBondContact O-N 3.43Å
466	A	79.8	Confident	89.4	Confident	58 Å²	58	25.6 Å²	25.6	48%	0.479	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-11.1	173.9	0	0	0	0	0	112.7	D463	D463-A466 HydrophobicContact CB-CB 3.9Å; D463-A466 VanDerWaalsContact OD1-CB 3.24Å; D463-A466 WeakPolarHBondContact OD1-CB 3.29Å; D463-A466 PolarHBondContact OD1-N 3.5Å
467	G	88.1	Confident	88.5	Confident	5 Å²	5	25.9 Å²	25.9	5%	0.052	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	32.8	180	0	0	0	0	0	113.1	D463 Y464 E465 T484 D485	D463-G467 PolarHBondContact O-N 3.39Å; Y464-G467 PolarHBondContact O-N 3.24Å; Y464-G467 VanDerWaalsContact O-N 3.13Å; E465-G467 PolarHBondContact O-N 3.43Å; G467-T484 CarbonylContact O-C 3.44Å; G467-T484 VanDerWaalsContact O-CA 3.28Å; G467-T484 WeakPolarHBondContact O-CA 3.49Å; G467-D485 CarbonylContact C-O 3.57Å; G467-D485 WeakPolarHBondContact CA-O 3.43Å; G467-D485 PolarHBondContact O-N 3Å
468	T	90.8	Very high	87.8	Confident	30 Å²	30	25.4 Å²	25.4	18%	0.184	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	142.2	-176.3	63.2	0	0	0	0	113.4	D463 T482 F483 T484	D463-T468 PolarHBondContact N-O 3.04Å; D463-T468 PolarHBondContact O-N 2.93Å; T468-T482 HydrophobicContact CG2-CG2 4.41Å; T468-F483 VanDerWaalsContact CA-O 3.3Å; T468-F483 WeakPolarHBondContact CA-O 3.39Å; T468-T484 HydrophobicContact CG2-CG2 4.38Å
469	L	93.8	Very high	87.3	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	106.3	171	-175.5	74.6	0	0	0	109.7	V409 W429 I460 F461 L462 F471 T482 F483 F487	V409-L469 HydrophobicContact CB-CD2 4.45Å; V409-L469 HydrophobicContact CG1-CD1 3.97Å; V409-L469 HydrophobicContact CG1-CD2 4.24Å; V409-L469 HydrophobicContact CG2-CD1 4.45Å; V409-L469 HydrophobicContact CG2-CD2 3.66Å; W429-L469 HydrophobicContact CB-CD2 3.62Å; W429-L469 WeakPolarHBondContact O-CD2 3.36Å; I460-L469 HydrophobicContact CG2-CD1 3.65Å; I460-L469 HydrophobicContact CG2-CG 4.36Å; F461-L469 CarbonylContact O-C 3.45Å; F461-L469 WeakPolarHBondContact O-CA 3.43Å; L462-L469 HydrophobicContact CB-CD1 3.93Å; L462-L469 HydrophobicContact CD1-CD1 4.14Å; L469-F471 HydrophobicContact CD2-CE2 3.68Å; L469-F471 HydrophobicContact CD2-CZ 3.61Å; L469-F471 HydrophobicContact CG-CE2 3.77Å; L469-F471 HydrophobicContact CG-CZ 4.01Å; L469-T482 WeakPolarHBondContact O-CA 3.22Å; L469-F483 HydrophobicContact CB-CB 4.42Å; L469-F483 PolarHBondContact N-O 2.82Å; L469-F483 PolarHBondContact O-N 3.48Å; L469-F487 HydrophobicContact CB-CZ 4.41Å
470	S	91.5	Very high	87.3	Confident	7 Å²	7	29.5 Å²	29.5	5%	0.049	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	143.3	-176.9	-59.7	0	0	0	0	112.3	I460 F461 Y472 Y481 T482	I460-S470 WeakPolarHBondContact CA-O 3.29Å; F461-S470 PolarHBondContact N-O 3.28Å; F461-S470 PolarHBondContact O-N 3.08Å; S470-Y472 WeakPolarHBondContact CB-OH 3.21Å; S470-Y481 CarbonylContact C-O 3.47Å; S470-Y481 WeakPolarHBondContact CA-O 3.31Å; S470-T482 WeakPolarHBondContact CB-OG1 3.37Å; S470-T482 WeakPolarHBondContact OG-CG2 3.43Å; S470-T482 PolarHBondContact OG-OG1 3.25Å
471	F	94.1	Very high	87.4	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	138.1	178.1	-63.7	-96.6	0	0	0	109.4	V407 V431 V458 G459 I460 L469 I480 Y481 F483	V407-F471 HydrophobicContact CG2-CE1 4.3Å; V407-F471 WeakPolarHBondContact O-CE1 3.42Å; V431-F471 HydrophobicContact CB-CD1 3.96Å; V431-F471 HydrophobicContact CB-CE1 4.19Å; V431-F471 HydrophobicContact CB-CG 4.19Å; V431-F471 HydrophobicContact CG2-CB 4.03Å; V431-F471 HydrophobicContact CG2-CD1 3.81Å; V431-F471 HydrophobicContact CG2-CD2 3.64Å; V431-F471 HydrophobicContact CG2-CE1 4.15Å; V431-F471 HydrophobicContact CG2-CE2 4.02Å; V431-F471 HydrophobicContact CG2-CG 3.53Å; V431-F471 HydrophobicContact CG2-CZ 4.25Å; V458-F471 HydrophobicContact CG1-CD1 4.28Å; G459-F471 CarbonylContact O-C 2.93Å; G459-F471 WeakPolarHBondContact O-CA 3.32Å; I460-F471 HydrophobicContact CG1-CD1 3.78Å; I460-F471 HydrophobicContact CG1-CE1 3.79Å; I460-F471 HydrophobicContact CG2-CE1 4.22Å; L469-F471 HydrophobicContact CD2-CE2 3.68Å; L469-F471 HydrophobicContact CD2-CZ 3.61Å; L469-F471 HydrophobicContact CG-CE2 3.77Å; L469-F471 HydrophobicContact CG-CZ 4.01Å; F471-I480 HydrophobicContact CB-CB 3.99Å; F471-I480 HydrophobicContact CB-CG2 4.25Å; F471-I480 WeakPolarHBondContact O-CB 3.38Å; F471-I480 PolarHBondContact O-N 2.72Å; F471-Y481 PolarHBondContact N-O 3.33Å; F471-Y481 PolarHBondContact O-N 2.8Å; F471-F483 HydrophobicContact CD2-CD2 4.28Å; F471-F483 HydrophobicContact CD2-CE2 4.27Å; F471-F483 AromaticContact CE2-CD2 3.64Å; F471-F483 HydrophobicContact CE2-CD2 3.64Å; F471-F483 AromaticContact CE2-CE2 3.62Å; F471-F483 HydrophobicContact CE2-CE2 3.62Å; F471-F483 HydrophobicContact CZ-CE2 4.37Å
472	Y	88.9	Confident	87.4	Confident	13 Å²	13	33.3 Å²	33.3	5%	0.051	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	141.3	-177.3	-58.2	-85.8	0	0	0	110.5	F321 P322 V458 G459 F461 S470 V474 S478 H479	F321-Y472 AromaticContact CE2-CD1 3.95Å; F321-Y472 HydrophobicContact CE2-CD1 3.95Å; P322-Y472 HydrophobicContact CG-CE1 4.05Å; V458-Y472 CarbonylContact C-O 3.52Å; V458-Y472 VanDerWaalsContact CA-O 3.31Å; V458-Y472 WeakPolarHBondContact CA-O 3.11Å; G459-Y472 PolarHBondContact N-O 2.96Å; G459-Y472 PolarHBondContact O-N 3.08Å; F461-Y472 HydrophobicContact CB-CE2 3.83Å; S470-Y472 WeakPolarHBondContact CB-OH 3.21Å; Y472-V474 PolarHBondContact O-N 2.85Å; Y472-S478 CarbonylContact C-O 3.31Å; Y472-S478 WeakPolarHBondContact CA-O 3.39Å; Y472-H479 HydrophobicContact CD1-CB 4.36Å; Y472-H479 HydrophobicContact CE1-CB 4.42Å; Y472-H479 AromaticContact CE1-CD2 3.88Å
473	N	90.9	Very high	87.7	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	105.2	167.2	-178.3	-2.1	0	0	0	107.1	V453 P455 T475 D476 R477 S478 I480	V453-N473 PolarHBondContact O-ND2 3.44Å; P455-N473 VanDerWaalsContact CA-OD1 3.3Å; P455-N473 WeakPolarHBondContact CA-OD1 3.46Å; P455-N473 HydrophobicContact CB-CB 4.39Å; P455-N473 WeakPolarHBondContact CB-OD1 3.37Å; N473-T475 PolarHBondContact O-N 3.33Å; N473-T475 VanDerWaalsContact OD1-CB 3.26Å; N473-T475 WeakPolarHBondContact OD1-CB 3.29Å; N473-T475 PolarHBondContact OD1-N 2.86Å; N473-D476 WeakPolarHBondContact CB-OD1 3.41Å; N473-D476 VanDerWaalsContact ND2-CG 3.25Å; N473-D476 PolarHBondContact ND2-OD1 3.01Å; N473-D476 PolarHBondContact ND2-OD2 3.5Å; N473-R477 VanDerWaalsContact O-CA 3.24Å; N473-R477 WeakPolarHBondContact O-CA 3.23Å; N473-R477 PolarHBondContact O-N 3.45Å; N473-S478 WeakPolarHBondContact CB-OG 3.42Å; N473-S478 PolarHBondContact N-O 3.03Å; N473-S478 PolarHBondContact O-N 3.1Å; N473-S478 VanDerWaalsContact O-N 3.09Å; N473-I480 HydrophobicContact CB-CD1 3.87Å; N473-I480 HydrophobicContact CB-CG1 3.86Å
474	V	85.8	Confident	87.8	Confident	10 Å²	10	38.3 Å²	38.3	6%	0.061	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-22.1	-177.4	179.6	0	0	0	0	110.5	E396 R457 Y472 W517	E396-V474 HydrophobicContact CG-CG2 4.23Å; R457-V474 HydrophobicContact CB-CB 4.05Å; R457-V474 HydrophobicContact CG-CB 4.09Å; R457-V474 HydrophobicContact CG-CG1 4.4Å; R457-V474 HydrophobicContact CG-CG2 4.26Å; R457-V474 PolarHBondContact O-N 2.85Å; Y472-V474 PolarHBondContact O-N 2.85Å; V474-W517 HydrophobicContact CG1-CZ2 4.44Å
475	T	85.9	Confident	88.1	Confident	60 Å²	60	39.4 Å²	39.4	37%	0.368	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-44.4	-177	-53.9	0	0	0	0	112.4	V453 K456 R457 N473	V453-T475 HydrophobicContact CG1-CG2 4.42Å; K456-T475 HydrophobicContact CB-CG2 4.47Å; K456-T475 HydrophobicContact CG-CG2 4.42Å; K456-T475 PolarHBondContact N-OG1 2.95Å; R457-T475 PolarHBondContact N-OG1 3.25Å; N473-T475 PolarHBondContact O-N 3.33Å; N473-T475 VanDerWaalsContact OD1-CB 3.26Å; N473-T475 WeakPolarHBondContact OD1-CB 3.29Å; N473-T475 PolarHBondContact OD1-N 2.86Å
476	D	80.8	Confident	88.4	Confident	28 Å²	28	38.7 Å²	38.7	15%	0.15	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	1.4	178	69.3	-7.4	0	0	0	113.2	V453 N473 S478	V453-D476 HydrophobicContact CB-CB 3.73Å; V453-D476 WeakPolarHBondContact CB-OD2 3.43Å; V453-D476 HydrophobicContact CG1-CB 4.06Å; V453-D476 HydrophobicContact CG2-CB 3.78Å; N473-D476 WeakPolarHBondContact CB-OD1 3.41Å; N473-D476 VanDerWaalsContact ND2-CG 3.25Å; N473-D476 PolarHBondContact ND2-OD1 3.01Å; N473-D476 PolarHBondContact ND2-OD2 3.5Å; D476-S478 VanDerWaalsContact OD1-CB 3.3Å; D476-S478 WeakPolarHBondContact OD1-CB 2.98Å; D476-S478 PolarHBondContact OD1-N 3.38Å; D476-S478 VanDerWaalsContact OD1-N 3.09Å; D476-S478 PolarHBondContact OD1-OG 3.17Å; D476-S478 PolarHBondContact OD2-OG 3.13Å; D476-S478 VanDerWaalsContact OD2-OG 3.06Å
477	R	75.1	Confident	89	Confident	120 Å²	120	36.7 Å²	36.7	45%	0.453	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	55.5	-176.3	-49.2	173.4	-174.7	178.4	0.4	110.2	F321 N473	F321-R477 WeakPolarHBondContact CB-O 3.37Å; F321-R477 HydrophobicContact CD1-CB 4.41Å; F321-R477 HydrophobicContact CD2-CB 4.37Å; F321-R477 WeakPolarHBondContact CD2-O 3.47Å; F321-R477 HydrophobicContact CE1-CB 4.11Å; F321-R477 HydrophobicContact CE2-CB 4.07Å; F321-R477 VanDerWaalsContact CE2-O 3.25Å; F321-R477 WeakPolarHBondContact CE2-O 3.38Å; F321-R477 WeakPolarHBondContact CG-O 3.45Å; F321-R477 HydrophobicContact CZ-CB 3.93Å; N473-R477 VanDerWaalsContact O-CA 3.24Å; N473-R477 WeakPolarHBondContact O-CA 3.23Å; N473-R477 PolarHBondContact O-N 3.45Å
478	S	77.8	Confident	89.3	Confident	23 Å²	23	41.3 Å²	41.3	16%	0.161	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	154.6	174.3	69	0	0	0	0	112.6	Y472 N473 D476	Y472-S478 CarbonylContact C-O 3.31Å; Y472-S478 WeakPolarHBondContact CA-O 3.39Å; N473-S478 WeakPolarHBondContact CB-OG 3.42Å; N473-S478 PolarHBondContact N-O 3.03Å; N473-S478 PolarHBondContact O-N 3.1Å; N473-S478 VanDerWaalsContact O-N 3.09Å; D476-S478 VanDerWaalsContact OD1-CB 3.3Å; D476-S478 WeakPolarHBondContact OD1-CB 2.98Å; D476-S478 PolarHBondContact OD1-N 3.38Å; D476-S478 VanDerWaalsContact OD1-N 3.09Å; D476-S478 PolarHBondContact OD1-OG 3.17Å; D476-S478 PolarHBondContact OD2-OG 3.13Å; D476-S478 VanDerWaalsContact OD2-OG 3.06Å
479	H	84.5	Confident	89.4	Confident	70 Å²	70	42.8 Å²	42.8	32%	0.324	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	136.5	168.8	174.5	-104.5	0	0	0	110	Y472 Y481 T482	Y472-H479 HydrophobicContact CD1-CB 4.36Å; Y472-H479 HydrophobicContact CE1-CB 4.42Å; Y472-H479 AromaticContact CE1-CD2 3.88Å; H479-Y481 VanDerWaalsContact CE1-C 3.45Å; H479-Y481 VanDerWaalsContact CE1-CA 3.43Å; H479-Y481 WeakPolarHBondContact CE1-CA 3.38Å; H479-Y481 PolarHBondContact CE1-N 2.99Å; H479-Y481 PolarHBondContact NE2-O 2.87Å; H479-T482 PolarHBondContact NE2-N 3.31Å; H479-T482 PolarHBondContact NE2-OG1 3.2Å
480	I	92.5	Very high	89.6	Confident	15 Å²	15	46.3 Å²	46.3	8%	0.077	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-59	176.8	-66.8	172.4	0	0	0	110.1	V431 L449 I451 V458 F471 N473	V431-I480 HydrophobicContact CG1-CG2 4.11Å; V431-I480 HydrophobicContact CG2-CG2 4.33Å; L449-I480 HydrophobicContact CD1-CG2 3.65Å; I451-I480 HydrophobicContact CD1-CG1 4.16Å; I451-I480 HydrophobicContact CD1-CG2 4.06Å; V458-I480 HydrophobicContact CG1-CD1 4.22Å; F471-I480 HydrophobicContact CB-CB 3.99Å; F471-I480 HydrophobicContact CB-CG2 4.25Å; F471-I480 WeakPolarHBondContact O-CB 3.38Å; F471-I480 PolarHBondContact O-N 2.72Å; N473-I480 HydrophobicContact CB-CD1 3.87Å; N473-I480 HydrophobicContact CB-CG1 3.86Å
481	Y	93.4	Very high	89.9	Confident	53 Å²	53	46 Å²	46	21%	0.208	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	153.2	-174.5	-166.9	-102.1	0	0	0	111.3	A441 T443 T447 L449 S470 F471 H479 F483	A441-Y481 HydrophobicContact CB-CD1 3.47Å; A441-Y481 VanDerWaalsContact CB-CD1 3.47Å; A441-Y481 HydrophobicContact CB-CD2 3.99Å; A441-Y481 HydrophobicContact CB-CE1 3.55Å; A441-Y481 HydrophobicContact CB-CE2 4.06Å; A441-Y481 HydrophobicContact CB-CG 3.69Å; T443-Y481 HydrophobicContact CG2-CE1 4.35Å; T443-Y481 WeakPolarHBondContact CG2-OH 3.49Å; T447-Y481 HydrophobicContact CG2-CE2 4.13Å; L449-Y481 HydrophobicContact CD2-CD2 3.58Å; L449-Y481 HydrophobicContact CD2-CE2 4.37Å; L449-Y481 HydrophobicContact CD2-CG 4.11Å; S470-Y481 CarbonylContact C-O 3.47Å; S470-Y481 WeakPolarHBondContact CA-O 3.31Å; F471-Y481 PolarHBondContact N-O 3.33Å; F471-Y481 PolarHBondContact O-N 2.8Å; H479-Y481 VanDerWaalsContact CE1-C 3.45Å; H479-Y481 VanDerWaalsContact CE1-CA 3.43Å; H479-Y481 WeakPolarHBondContact CE1-CA 3.38Å; H479-Y481 PolarHBondContact CE1-N 2.99Å; H479-Y481 PolarHBondContact NE2-O 2.87Å; Y481-F483 AromaticContact CD1-CD2 3.7Å; Y481-F483 HydrophobicContact CD1-CD2 3.7Å; Y481-F483 HydrophobicContact CD1-CE1 4.46Å; Y481-F483 AromaticContact CD1-CE2 3.61Å; Y481-F483 HydrophobicContact CD1-CE2 3.61Å; Y481-F483 HydrophobicContact CD1-CG 4.2Å; Y481-F483 HydrophobicContact CD1-CZ 4.02Å; Y481-F483 AromaticContact CE1-CD1 3.83Å; Y481-F483 HydrophobicContact CE1-CD1 3.83Å; Y481-F483 AromaticContact CE1-CD2 3.8Å; Y481-F483 HydrophobicContact CE1-CD2 3.8Å; Y481-F483 AromaticContact CE1-CE1 3.84Å; Y481-F483 HydrophobicContact CE1-CE1 3.84Å; Y481-F483 AromaticContact CE1-CE2 3.82Å; Y481-F483 HydrophobicContact CE1-CE2 3.82Å; Y481-F483 AromaticContact CE1-CG 3.83Å; Y481-F483 HydrophobicContact CE1-CG 3.83Å; Y481-F483 AromaticContact CE1-CZ 3.84Å; Y481-F483 HydrophobicContact CE1-CZ 3.84Å
482	T	92.2	Very high	90.1	Very high	44 Å²	44	47.5 Å²	47.5	27%	0.27	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.1	170.6	-63.6	0	0	0	0	109.4	T468 L469 S470 H479	T468-T482 HydrophobicContact CG2-CG2 4.41Å; L469-T482 WeakPolarHBondContact O-CA 3.22Å; S470-T482 WeakPolarHBondContact CB-OG1 3.37Å; S470-T482 WeakPolarHBondContact OG-CG2 3.43Å; S470-T482 PolarHBondContact OG-OG1 3.25Å; H479-T482 PolarHBondContact NE2-N 3.31Å; H479-T482 PolarHBondContact NE2-OG1 3.2Å
483	F	95.3	Very high	90.5	Very high	8 Å²	8	46.9 Å²	46.9	4%	0.035	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	145.1	163.7	-65	-94.7	0	0	0	109.6	P424 W429 R430 V431 A441 T443 T468 L469 F471 Y481	P424-F483 HydrophobicContact CG-CD1 4.1Å; P424-F483 HydrophobicContact CG-CE1 3.97Å; W429-F483 HydrophobicContact CB-CB 4.46Å; W429-F483 HydrophobicContact CB-CD1 4.31Å; W429-F483 HydrophobicContact CB-CD2 4.1Å; W429-F483 HydrophobicContact CB-CE2 4.38Å; W429-F483 HydrophobicContact CB-CG 4.04Å; W429-F483 AromaticContact CD1-CD1 3.71Å; W429-F483 AromaticContact CD1-CG 3.85Å; W429-F483 HydrophobicContact CG-CB 4.46Å; W429-F483 HydrophobicContact CG-CD1 4.41Å; W429-F483 HydrophobicContact CG-CG 4.35Å; R430-F483 WeakPolarHBondContact O-CZ 3.25Å; V431-F483 HydrophobicContact CG2-CE2 4.48Å; A441-F483 HydrophobicContact CB-CE1 4.4Å; A441-F483 HydrophobicContact CB-CE2 4.26Å; A441-F483 HydrophobicContact CB-CZ 3.73Å; T443-F483 HydrophobicContact CG2-CD1 4.23Å; T443-F483 HydrophobicContact CG2-CE1 3.65Å; T468-F483 VanDerWaalsContact CA-O 3.3Å; T468-F483 WeakPolarHBondContact CA-O 3.39Å; L469-F483 HydrophobicContact CB-CB 4.42Å; L469-F483 PolarHBondContact N-O 2.82Å; L469-F483 PolarHBondContact O-N 3.48Å; F471-F483 HydrophobicContact CD2-CD2 4.28Å; F471-F483 HydrophobicContact CD2-CE2 4.27Å; F471-F483 AromaticContact CE2-CD2 3.64Å; F471-F483 HydrophobicContact CE2-CD2 3.64Å; F471-F483 AromaticContact CE2-CE2 3.62Å; F471-F483 HydrophobicContact CE2-CE2 3.62Å; F471-F483 HydrophobicContact CZ-CE2 4.37Å; Y481-F483 AromaticContact CD1-CD2 3.7Å; Y481-F483 HydrophobicContact CD1-CD2 3.7Å; Y481-F483 HydrophobicContact CD1-CE1 4.46Å; Y481-F483 AromaticContact CD1-CE2 3.61Å; Y481-F483 HydrophobicContact CD1-CE2 3.61Å; Y481-F483 HydrophobicContact CD1-CG 4.2Å; Y481-F483 HydrophobicContact CD1-CZ 4.02Å; Y481-F483 AromaticContact CE1-CD1 3.83Å; Y481-F483 HydrophobicContact CE1-CD1 3.83Å; Y481-F483 AromaticContact CE1-CD2 3.8Å; Y481-F483 HydrophobicContact CE1-CD2 3.8Å; Y481-F483 AromaticContact CE1-CE1 3.84Å; Y481-F483 HydrophobicContact CE1-CE1 3.84Å; Y481-F483 AromaticContact CE1-CE2 3.82Å; Y481-F483 HydrophobicContact CE1-CE2 3.82Å; Y481-F483 AromaticContact CE1-CG 3.83Å; Y481-F483 HydrophobicContact CE1-CG 3.83Å; Y481-F483 AromaticContact CE1-CZ 3.84Å; Y481-F483 HydrophobicContact CE1-CZ 3.84Å
484	T	91.1	Very high	90.8	Very high	112 Å²	112	46.9 Å²	46.9	69%	0.687	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.3	170.4	-54	0	0	0	0	108.3	G467 T468	G467-T484 CarbonylContact O-C 3.44Å; G467-T484 VanDerWaalsContact O-CA 3.28Å; G467-T484 WeakPolarHBondContact O-CA 3.49Å; T468-T484 HydrophobicContact CG2-CG2 4.38Å
485	D	92.4	Very high	91.4	Very high	50 Å²	50	46.5 Å²	46.5	27%	0.267	24%	0.242	S	C	.	.			trans	-157.4	170.6	-178.2	-150.1	-34.4	0	0	0	110.1	W429 G467 F487	W429-D485 HydrophobicContact CZ2-CB 4.3Å; W429-D485 VanDerWaalsContact CZ2-OD2 3.22Å; W429-D485 WeakPolarHBondContact CZ2-OD2 3.44Å; W429-D485 PolarHBondContact NE1-OD2 3.46Å; G467-D485 CarbonylContact C-O 3.57Å; G467-D485 WeakPolarHBondContact CA-O 3.43Å; G467-D485 PolarHBondContact O-N 3Å; D485-F487 HydrophobicContact CB-CD1 4.28Å; D485-F487 HydrophobicContact CB-CE1 3.83Å; D485-F487 HydrophobicContact CB-CZ 4.45Å
486	T	92.4	Very high	92	Very high	107 Å²	107	45 Å²	45	66%	0.656	23%	0.23	S	C	*	.			trans	-98	109.1	169.5	-56.4	0	0	0	0	109.3	T488	T486-T488 HydrophobicContact CG2-CG2 4.2Å
487	F	92.4	Very high	92.7	Very high	15 Å²	15	43.7 Å²	43.7	7%	0.066	22%	0.223	C	C	.	.			trans	-84.5	120.7	178.1	-51.4	-49.1	0	0	0	110.4	W429 L462 Y464 L469 D485 L491	W429-F487 HydrophobicContact CD2-CE1 4.3Å; W429-F487 HydrophobicContact CH2-CD1 4.27Å; W429-F487 HydrophobicContact CH2-CE1 4.36Å; W429-F487 HydrophobicContact CZ2-CD1 4.24Å; W429-F487 HydrophobicContact CZ2-CE1 4.06Å; L462-F487 HydrophobicContact CD1-CD2 4.08Å; L462-F487 HydrophobicContact CD1-CE2 3.57Å; L462-F487 HydrophobicContact CD1-CZ 4.18Å; Y464-F487 HydrophobicContact CD2-CB 4.1Å; Y464-F487 HydrophobicContact CD2-CD2 4.46Å; Y464-F487 HydrophobicContact CE1-CB 4.2Å; Y464-F487 HydrophobicContact CE2-CB 3.74Å; Y464-F487 HydrophobicContact CG-CB 4.49Å; Y464-F487 PolarHBondContact OH-O 3.29Å; L469-F487 HydrophobicContact CB-CZ 4.41Å; D485-F487 HydrophobicContact CB-CD1 4.28Å; D485-F487 HydrophobicContact CB-CE1 3.83Å; D485-F487 HydrophobicContact CB-CZ 4.45Å; F487-L491 HydrophobicContact CB-CD1 4.09Å; F487-L491 HydrophobicContact CD1-CD1 3.68Å; F487-L491 HydrophobicContact CD1-CD2 4.46Å; F487-L491 HydrophobicContact CD2-CD1 3.92Å; F487-L491 HydrophobicContact CE1-CD1 4.01Å; F487-L491 HydrophobicContact CE2-CD1 4.22Å; F487-L491 HydrophobicContact CG-CD1 3.63Å; F487-L491 HydrophobicContact CZ-CD1 4.27Å
488	T	92.9	Very high	93.5	Very high	103 Å²	103	38 Å²	38	63%	0.632	20%	0.202	S	C	*	.			trans	-118.8	-11.7	-177.6	54.2	0	0	0	0	113.4	T486	T486-T488 HydrophobicContact CG2-CG2 4.2Å
489	E	94.2	Very high	94	Very high	61 Å²	61	40.9 Å²	40.9	29%	0.285	21%	0.214	S	C	.	.	S	Bend	trans	-119.6	168	-178.4	-68	-172.1	-113.7	0	0	110.6	R411 S413 Y464 L491	R411-E489 HydrophobicContact CB-CB 4.45Å; R411-E489 WeakPolarHBondContact CD-OE1 3.5Å; S413-E489 WeakPolarHBondContact CB-OE2 3.23Å; S413-E489 PolarHBondContact N-OE2 3.24Å; S413-E489 VanDerWaalsContact OG-CD 3.23Å; S413-E489 PolarHBondContact OG-OE1 3.27Å; S413-E489 PolarHBondContact OG-OE2 3.37Å; Y464-E489 VanDerWaalsContact CE2-O 3.32Å; Y464-E489 WeakPolarHBondContact CE2-O 3.46Å; Y464-E489 PolarHBondContact OH-N 2.87Å; Y464-E489 PolarHBondContact OH-O 2.78Å; E489-L491 PolarHBondContact O-N 2.74Å
490	K	97.3	Very high	93.6	Very high	73 Å²	73	41.9 Å²	41.9	32%	0.317	22%	0.215	S	C	.	.			trans	-61	129	167.7	-173.1	170.5	-173.7	176.7	0	109.8	G387 F388 T389 D412 W492	G387-K490 VanDerWaalsContact CA-CE 3.43Å; G387-K490 WeakPolarHBondContact O-CE 3.14Å; F388-K490 WeakPolarHBondContact O-CA 3.34Å; T389-K490 HydrophobicContact CG2-CB 3.6Å; T389-K490 HydrophobicContact CG2-CD 4.15Å; T389-K490 HydrophobicContact CG2-CG 3.75Å; D412-K490 HydrophobicContact CB-CB 4.23Å; D412-K490 PolarHBondContact N-O 3.48Å; K490-W492 HydrophobicContact CD-CH2 4.45Å; K490-W492 HydrophobicContact CD-CZ2 3.79Å; K490-W492 HydrophobicContact CG-CZ2 4.47Å
491	L	98.2	Very high	92.4	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	135	176.8	-65.2	-177	0	0	0	110.7	G387 F388 V409 C410 R411 W429 L462 Y464 F487 E489	G387-L491 CarbonylContact C-O 3.44Å; G387-L491 WeakPolarHBondContact CA-O 3.46Å; F388-L491 PolarHBondContact N-O 3.14Å; F388-L491 PolarHBondContact O-N 3.26Å; V409-L491 HydrophobicContact CB-CB 4.46Å; V409-L491 HydrophobicContact CG2-CB 4.47Å; V409-L491 HydrophobicContact CG2-CD1 4.15Å; V409-L491 HydrophobicContact CG2-CD2 4.48Å; C410-L491 CarbonylContact O-C 2.98Å; C410-L491 WeakPolarHBondContact O-CA 3.39Å; R411-L491 HydrophobicContact CG-CD2 4.08Å; W429-L491 HydrophobicContact CE3-CD2 4.48Å; W429-L491 HydrophobicContact CH2-CD2 4.19Å; W429-L491 HydrophobicContact CZ3-CD2 3.67Å; L462-L491 HydrophobicContact CD1-CD1 3.84Å; L462-L491 HydrophobicContact CD2-CD1 4.2Å; Y464-L491 HydrophobicContact CD2-CD1 4.28Å; Y464-L491 HydrophobicContact CE2-CD1 4.3Å; Y464-L491 HydrophobicContact CE2-CG 4.18Å; F487-L491 HydrophobicContact CB-CD1 4.09Å; F487-L491 HydrophobicContact CD1-CD1 3.68Å; F487-L491 HydrophobicContact CD1-CD2 4.46Å; F487-L491 HydrophobicContact CD2-CD1 3.92Å; F487-L491 HydrophobicContact CE1-CD1 4.01Å; F487-L491 HydrophobicContact CE2-CD1 4.22Å; F487-L491 HydrophobicContact CG-CD1 3.63Å; F487-L491 HydrophobicContact CZ-CD1 4.27Å; E489-L491 PolarHBondContact O-N 2.74Å
492	W	97.9	Very high	90.9	Very high	32 Å²	32	45.7 Å²	45.7	12%	0.121	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.4	-179.5	-64.6	94.7	0	0	0	110.5	L383 A384 T385 V409 C410 D412 K490 L494	L383-W492 HydrophobicContact CB-CB 4.37Å; L383-W492 HydrophobicContact CD1-CB 3.88Å; L383-W492 HydrophobicContact CD1-CD2 4.43Å; L383-W492 HydrophobicContact CD1-CG 4.03Å; L383-W492 HydrophobicContact CD2-CB 4.17Å; L383-W492 HydrophobicContact CG-CB 4.35Å; A384-W492 VanDerWaalsContact O-CE3 3.31Å; A384-W492 WeakPolarHBondContact O-CZ3 3.5Å; T385-W492 WeakPolarHBondContact O-CZ3 3.12Å; V409-W492 CarbonylContact C-O 3.51Å; V409-W492 WeakPolarHBondContact CA-O 3.44Å; V409-W492 WeakPolarHBondContact CB-O 3.39Å; C410-W492 PolarHBondContact N-O 2.88Å; C410-W492 PolarHBondContact O-N 3.34Å; D412-W492 PolarHBondContact OD1-NE1 2.82Å; K490-W492 HydrophobicContact CD-CH2 4.45Å; K490-W492 HydrophobicContact CD-CZ2 3.79Å; K490-W492 HydrophobicContact CG-CZ2 4.47Å; W492-L494 PolarHBondContact O-N 3.3Å
493	P	97.8	Very high	89.7	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	130.8	166	-26.2	34.8	0	0	0	110.9	V339 L383 A384 F388 W395 F495	V339-P493 HydrophobicContact CG1-CB 4.27Å; V339-P493 HydrophobicContact CG1-CG 4.4Å; L383-P493 CarbonylContact C-O 3.49Å; L383-P493 VanDerWaalsContact CA-O 3.23Å; L383-P493 WeakPolarHBondContact CA-O 3.11Å; A384-P493 HydrophobicContact CB-CB 3.82Å; A384-P493 HydrophobicContact CB-CG 3.92Å; A384-P493 PolarHBondContact N-O 3.48Å; F388-P493 HydrophobicContact CD2-CG 4.23Å; F388-P493 HydrophobicContact CE2-CG 3.51Å; F388-P493 HydrophobicContact CZ-CG 4.26Å; W395-P493 HydrophobicContact CH2-CB 4.35Å; W395-P493 HydrophobicContact CH2-CG 4.04Å; W395-P493 HydrophobicContact CZ2-CB 3.78Å; W395-P493 HydrophobicContact CZ2-CG 3.97Å; W395-P493 HydrophobicContact CZ3-CG 4.47Å; P493-F495 HydrophobicContact CB-CE2 3.84Å; P493-F495 HydrophobicContact CB-CZ 3.88Å
494	L	97.7	Very high	88.8	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	134.4	-174	-178.9	152.2	0	0	0	110.6	F376 C381 L383 G408 C410 Y428 W492	F376-L494 HydrophobicContact CZ-CD1 4.18Å; C381-L494 HydrophobicContact CB-CG 4.48Å; L383-L494 HydrophobicContact CD2-CB 3.86Å; L383-L494 HydrophobicContact CD2-CD1 3.93Å; L383-L494 HydrophobicContact CD2-CG 3.99Å; G408-L494 PolarHBondContact N-O 3Å; G408-L494 PolarHBondContact O-N 3.42Å; C410-L494 HydrophobicContact CB-CD1 4.15Å; Y428-L494 HydrophobicContact CD1-CD1 3.93Å; Y428-L494 HydrophobicContact CE1-CD1 3.71Å; W492-L494 PolarHBondContact O-N 3.3Å
495	F	98.3	Very high	88.8	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.009	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124.5	-177.6	-49.1	-91.3	0	0	0	110.3	V339 L341 V359 C381 V382 A384 W395 V397 V407 P493 L509 I511	V339-F495 HydrophobicContact CG1-CE2 4.29Å; V339-F495 HydrophobicContact CG1-CZ 3.91Å; L341-F495 HydrophobicContact CD2-CB 4.43Å; L341-F495 HydrophobicContact CD2-CD2 3.32Å; L341-F495 HydrophobicContact CD2-CE2 3.63Å; L341-F495 HydrophobicContact CD2-CG 3.86Å; L341-F495 HydrophobicContact CD2-CZ 4.37Å; V359-F495 HydrophobicContact CG1-CB 4.44Å; C381-F495 WeakPolarHBondContact CA-O 3.36Å; V382-F495 HydrophobicContact CG1-CB 3.98Å; V382-F495 PolarHBondContact N-O 3.31Å; V382-F495 PolarHBondContact O-N 3.25Å; A384-F495 HydrophobicContact CB-CE2 4.27Å; W395-F495 AromaticContact NE1-CE1 3.98Å; W395-F495 AromaticContact NE1-CZ 3.98Å; V397-F495 HydrophobicContact CG1-CD1 4.45Å; V397-F495 HydrophobicContact CG2-CD1 4.03Å; V397-F495 HydrophobicContact CG2-CE1 3.58Å; V407-F495 HydrophobicContact CG1-CD1 4.49Å; P493-F495 HydrophobicContact CB-CE2 3.84Å; P493-F495 HydrophobicContact CB-CZ 3.88Å; F495-L509 HydrophobicContact CB-CD1 4.41Å; F495-I511 HydrophobicContact CD1-CG1 4.46Å; F495-I511 HydrophobicContact CE1-CD1 3.93Å; F495-I511 HydrophobicContact CE1-CG1 3.82Å; F495-I511 HydrophobicContact CE2-CD1 4.11Å; F495-I511 HydrophobicContact CZ-CD1 3.63Å; F495-I511 HydrophobicContact CZ-CG1 4.05Å
496	Y	97.1	Very high	88.6	Confident	29 Å²	29	55.6 Å²	55.6	11%	0.114	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	103.6	174.9	172.8	-117.3	0	0	0	109	P380 H404 W405 A406 G498	P380-Y496 HydrophobicContact CB-CD2 4.39Å; P380-Y496 HydrophobicContact CB-CE2 4.02Å; P380-Y496 HydrophobicContact CG-CE2 3.87Å; P380-Y496 VanDerWaalsContact O-CD2 3.3Å; P380-Y496 WeakPolarHBondContact O-CD2 3.38Å; H404-Y496 AromaticContact CE1-CE1 3.39Å; H404-Y496 WeakPolarHBondContact CE1-CE1 3.4Å; H404-Y496 AromaticContact CE1-CZ 3.74Å; H404-Y496 PolarHBondContact CE1-OH 3.06Å; H404-Y496 AromaticContact ND1-CE1 3.64Å; H404-Y496 AromaticContact ND1-CZ 3.94Å; W405-Y496 CarbonylContact C-O 3.51Å; W405-Y496 WeakPolarHBondContact CA-O 3.38Å; W405-Y496 WeakPolarHBondContact CB-O 3.37Å; A406-Y496 HydrophobicContact CB-CD1 3.79Å; A406-Y496 HydrophobicContact CB-CG 4.39Å; A406-Y496 PolarHBondContact N-O 3.37Å; A406-Y496 WeakPolarHBondContact O-CA 3.46Å; A406-Y496 WeakPolarHBondContact O-CB 3.41Å; A406-Y496 PolarHBondContact O-N 3.44Å; Y496-G498 VanDerWaalsContact CZ-CA 3.49Å; Y496-G498 PolarHBondContact O-N 3.38Å
497	P	95.7	Very high	88.5	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.284	C	S	.	.			trans	-75.9	-0.7	-176.9	32.2	-37.1	0	0	0	113.8	L350 V359 P380 K402 H404 N505 L509	L350-P497 HydrophobicContact CD2-CG 3.58Å; V359-P497 HydrophobicContact CG2-CG 4.29Å; P380-P497 WeakPolarHBondContact O-CD 3.11Å; K402-P497 WeakPolarHBondContact CE-O 3.35Å; K402-P497 PolarHBondContact NZ-O 3.42Å; H404-P497 CarbonylContact O-C 3.55Å; P497-N505 PolarHBondContact O-ND2 3.4Å; P497-N505 VanDerWaalsContact O-ND2 3.08Å; P497-L509 HydrophobicContact CB-CD1 4.11Å; P497-L509 HydrophobicContact CB-CG 3.96Å
498	G	92.4	Very high	88.7	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.297	C	S	.	.			trans	75.4	157.1	-175.1	0	0	0	0	0	113.6	F361 H404 Y496	F361-G498 VanDerWaalsContact CB-O 3.28Å; F361-G498 WeakPolarHBondContact CB-O 3.33Å; H404-G498 VanDerWaalsContact ND1-CA 3.33Å; H404-G498 WeakPolarHBondContact ND1-CA 3.33Å; Y496-G498 VanDerWaalsContact CZ-CA 3.49Å; Y496-G498 PolarHBondContact O-N 3.38Å
499	I	88.6	Confident	88.9	Confident	83 Å²	83	49.8 Å²	49.8	43%	0.426	27%	0.268	S	S	.	.			trans	-83.6	152.3	176.3	-62	165.5	0	0	0	109.5	F361 P380 A501 N505	F361-I499 HydrophobicContact CD1-CG2 4.45Å; F361-I499 HydrophobicContact CD2-CG1 4.42Å; F361-I499 HydrophobicContact CE1-CG2 3.89Å; F361-I499 HydrophobicContact CE2-CG1 4.1Å; F361-I499 HydrophobicContact CE2-CG2 4.48Å; F361-I499 HydrophobicContact CZ-CG1 4.34Å; F361-I499 HydrophobicContact CZ-CG2 3.91Å; P380-I499 HydrophobicContact CG-CD1 4.21Å; P380-I499 HydrophobicContact CG-CG1 3.89Å; I499-A501 PolarHBondContact O-N 3.08Å; I499-N505 PolarHBondContact O-ND2 3.18Å
500	R	76	Confident	89	Confident	91 Å²	91	47.4 Å²	47.4	34%	0.343	26%	0.258	S	S	.	.			trans	-75.2	110	170.6	-83	-179.9	162.1	-162.8	-1.9	110.3	F361	F361-R500 HydrophobicContact CD1-CB 4.18Å; F361-R500 HydrophobicContact CD1-CG 4.21Å; F361-R500 HydrophobicContact CE1-CB 4.48Å
501	A	66.9	Low	88.8	Confident	75 Å²	75	44.4 Å²	44.4	62%	0.62	25%	0.245	S	C	*	.	S	Bend	trans	-97.8	104.7	165.2	0	0	0	0	0	109.3	I499 R503 K504	I499-A501 PolarHBondContact O-N 3.08Å; A501-R503 VanDerWaalsContact C-N 3.3Å; A501-R503 PolarHBondContact O-N 3.2Å; A501-K504 PolarHBondContact O-N 3.36Å; A501-K504 VanDerWaalsContact O-N 3.07Å
502	G	63.3	Low	88.3	Confident	74 Å²	74	49.8 Å²	49.8	76%	0.763	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	38.3	174.5	0	0	0	0	0	114.8	K504	G502-K504 VanDerWaalsContact C-N 3.3Å; G502-K504 PolarHBondContact O-N 2.86Å
503	R	65.2	Low	87.3	Confident	209 Å²	209	53 Å²	53	79%	0.789	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	3.4	-176.1	-52.7	-174.1	178.8	-166.4	0.7	117.2	A501 N505	A501-R503 VanDerWaalsContact C-N 3.3Å; A501-R503 PolarHBondContact O-N 3.2Å; R503-N505 VanDerWaalsContact C-N 3.28Å; R503-N505 PolarHBondContact O-N 3.44Å
504	K	77.1	Confident	85.9	Confident	166 Å²	166	54.2 Å²	54.2	72%	0.722	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	1.8	-176.7	-65.2	-172.1	177.8	-177.2	0	116.4	T403 A501 G502	T403-K504 PolarHBondContact OG1-O 3.42Å; A501-K504 PolarHBondContact O-N 3.36Å; A501-K504 VanDerWaalsContact O-N 3.07Å; G502-K504 VanDerWaalsContact C-N 3.3Å; G502-K504 PolarHBondContact O-N 2.86Å
505	N	90.5	Very high	84.1	Confident	7 Å²	7	56.5 Å²	56.5	4%	0.037	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141	33.3	-174.6	-161.8	38.4	0	0	0	114	K402 T403 H404 P497 I499 R503 A507	K402-N505 VanDerWaalsContact CB-OD1 3.27Å; K402-N505 WeakPolarHBondContact CB-OD1 3.39Å; K402-N505 PolarHBondContact NZ-ND2 2.84Å; K402-N505 PolarHBondContact NZ-O 3.36Å; K402-N505 PolarHBondContact NZ-OD1 2.94Å; T403-N505 PolarHBondContact N-OD1 3.19Å; H404-N505 PolarHBondContact N-OD1 2.93Å; H404-N505 PolarHBondContact O-ND2 3.32Å; H404-N505 PolarHBondContact O-OD1 3.09Å; P497-N505 PolarHBondContact O-ND2 3.4Å; P497-N505 VanDerWaalsContact O-ND2 3.08Å; I499-N505 PolarHBondContact O-ND2 3.18Å; R503-N505 VanDerWaalsContact C-N 3.28Å; R503-N505 PolarHBondContact O-N 3.44Å; N505-A507 PolarHBondContact O-N 3.16Å
506	A	88.1	Confident	81.7	Confident	40 Å²	40	62.2 Å²	62.2	33%	0.331	34%	0.343	S	S	.	.			trans	-71.3	-23.6	-170.4	0	0	0	0	0	115.9
507	A	91.8	Very high	79.3	Confident	47 Å²	47	66.3 Å²	66.3	39%	0.388	36%	0.358	S	S	.	.	S	Bend	trans	-65.6	147.8	-175.8	0	0	0	0	0	112.2	K402 N505	K402-A507 HydrophobicContact CD-CB 4.45Å; K402-A507 WeakPolarHBondContact CD-O 3.39Å; K402-A507 HydrophobicContact CG-CB 3.89Å; K402-A507 PolarHBondContact NZ-O 3.48Å; N505-A507 PolarHBondContact O-N 3.16Å
508	P	95	Very high	76.3	Confident	53 Å²	53	78.1 Å²	78.1	34%	0.344	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-71.5	161.2	175.6	32	-35.2	0	0	0	111.7	V359 K360	V359-P508 CarbonylContact O-C 3.56Å; V359-P508 WeakPolarHBondContact O-CA 3.45Å; V359-P508 WeakPolarHBondContact O-CB 3.2Å; K360-P508 HydrophobicContact CB-CB 4.13Å
509	L	97.2	Very high	75.5	Confident	3 Å²	3	82.1 Å²	82.1	2%	0.016	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	137.7	150.9	-67.2	-177.5	0	0	0	108.2	S358 V359 V397 V399 K402 W405 V407 F495 P497	S358-L509 CarbonylContact C-O 3.58Å; S358-L509 WeakPolarHBondContact CA-O 3.39Å; V359-L509 HydrophobicContact CG1-CB 4.09Å; V359-L509 PolarHBondContact N-O 3.05Å; V359-L509 PolarHBondContact O-N 3.49Å; V397-L509 HydrophobicContact CG1-CB 4.12Å; V397-L509 HydrophobicContact CG1-CD2 4.26Å; V399-L509 HydrophobicContact CB-CD2 4.11Å; V399-L509 HydrophobicContact CG1-CD2 3.71Å; K402-L509 HydrophobicContact CD-CD2 3.75Å; K402-L509 HydrophobicContact CD-CG 4.39Å; W405-L509 HydrophobicContact CB-CD1 4.41Å; W405-L509 HydrophobicContact CB-CD2 4.13Å; W405-L509 HydrophobicContact CG-CD2 4.43Å; V407-L509 HydrophobicContact CG1-CD1 4.19Å; F495-L509 HydrophobicContact CB-CD1 4.41Å; P497-L509 HydrophobicContact CB-CD1 4.11Å; P497-L509 HydrophobicContact CB-CG 3.96Å
510	T	96.4	Very high	74.8	Confident	11 Å²	11	82 Å²	82	7%	0.067	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	122.5	179.4	-61.3	0	0	0	0	110.4	K357 S358 V397 E398 R512	K357-T510 CarbonylContact O-C 3.49Å; K357-T510 WeakPolarHBondContact O-CA 3.47Å; S358-T510 WeakPolarHBondContact OG-CB 3.28Å; S358-T510 VanDerWaalsContact OG-CG2 3.24Å; S358-T510 WeakPolarHBondContact OG-CG2 3.22Å; S358-T510 PolarHBondContact OG-OG1 2.99Å; V397-T510 CarbonylContact C-O 3.11Å; E398-T510 WeakPolarHBondContact CB-O 3.33Å; E398-T510 PolarHBondContact N-O 3.06Å; E398-T510 PolarHBondContact O-N 2.67Å; T510-R512 HydrophobicContact CG2-CG 4.2Å; T510-R512 PolarHBondContact O-N 2.85Å
511	I	93.9	Very high	74.8	Confident	10 Å²	10	81.5 Å²	81.5	5%	0.051	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	123.6	169.8	-56.1	170.3	0	0	0	107.2	V339 L341 K357 E396 F495	V339-I511 HydrophobicContact CB-CD1 4.26Å; V339-I511 HydrophobicContact CB-CG2 4.25Å; V339-I511 HydrophobicContact CG1-CD1 3.87Å; L341-I511 HydrophobicContact CD2-CD1 3.71Å; L341-I511 HydrophobicContact CG-CD1 3.88Å; K357-I511 HydrophobicContact CD-CB 4.37Å; K357-I511 PolarHBondContact O-N 2.74Å; E396-I511 WeakPolarHBondContact O-CA 3.49Å; F495-I511 HydrophobicContact CD1-CG1 4.46Å; F495-I511 HydrophobicContact CE1-CD1 3.93Å; F495-I511 HydrophobicContact CE1-CG1 3.82Å; F495-I511 HydrophobicContact CE2-CD1 4.11Å; F495-I511 HydrophobicContact CZ-CD1 3.63Å; F495-I511 HydrophobicContact CZ-CG1 4.05Å
512	R	87.1	Confident	75.2	Confident	113 Å²	113	81.9 Å²	81.9	43%	0.426	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	145.9	178.1	-66.3	-65.3	-168.4	171.9	1.3	109.3	E396 E398 T510	E396-R512 PolarHBondContact O-N 3.26Å; E398-R512 HydrophobicContact CB-CG 3.97Å; E398-R512 IonicContact OE2-CZ 2.8Å; E398-R512 IonicContact OE2-NE 2.74Å; E398-R512 PolarHBondContact OE2-NE 2.96Å; E398-R512 IonicContact OE2-NH2 2.71Å; E398-R512 PolarHBondContact OE2-NH2 2.9Å; T510-R512 HydrophobicContact CG2-CG 4.2Å; T510-R512 PolarHBondContact O-N 2.85Å
513	P	77.4	Confident	76	Confident	101 Å²	101	82.4 Å²	82.4	66%	0.656	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-57.2	142.3	162.3	26.8	-32	0	0	0	108.2	T515	P513-T515 PolarHBondContact O-N 2.82Å; P513-T515 VanDerWaalsContact O-N 3.17Å
514	P	68.8	Low	76.7	Confident	24 Å²	24	73.9 Å²	73.9	16%	0.156	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-48.1	124.7	171.1	-28.2	35.5	0	0	0	109.7	I336 Y394 E396 D516	I336-P514 HydrophobicContact CB-CG 4.5Å; I336-P514 HydrophobicContact CD1-CB 4.14Å; I336-P514 HydrophobicContact CD1-CG 3.67Å; I336-P514 HydrophobicContact CG1-CG 3.9Å; I336-P514 HydrophobicContact CG2-CG 3.89Å; Y394-P514 HydrophobicContact CD1-CB 4.49Å; Y394-P514 HydrophobicContact CD1-CG 3.79Å; Y394-P514 HydrophobicContact CE1-CB 4.15Å; Y394-P514 HydrophobicContact CE1-CG 3.83Å; E396-P514 HydrophobicContact CG-CG 4.48Å; E396-P514 WeakPolarHBondContact OE1-CA 3.03Å; P514-D516 PolarHBondContact O-N 2.86Å
515	T	59.9	Low	76.7	Confident	48 Å²	48	67.4 Å²	67.4	29%	0.294	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-62.8	128.7	-175.4	-10.6	0	0	0	0	109.2	R457 P513 W517	R457-T515 PolarHBondContact NH1-OG1 3.19Å; P513-T515 PolarHBondContact O-N 2.82Å; P513-T515 VanDerWaalsContact O-N 3.17Å; T515-W517 VanDerWaalsContact CB-NE1 3.32Å; T515-W517 HydrophobicContact CG2-CD2 4.12Å; T515-W517 HydrophobicContact CG2-CE3 4.36Å; T515-W517 HydrophobicContact CG2-CH2 4.24Å; T515-W517 HydrophobicContact CG2-CZ2 4Å; T515-W517 HydrophobicContact CG2-CZ3 4.42Å; T515-W517 PolarHBondContact O-N 3.02Å; T515-W517 WeakPolarHBondContact OG1-CZ2 3.22Å; T515-W517 PolarHBondContact OG1-NE1 2.88Å
516	D	47.1	Very low	75.6	Confident	122 Å²	122	72 Å²	72	65%	0.652	38%	0.383	S	S	*	.			trans	-67.2	80.3	157.7	-76.6	-44.9	0	0	0	107	K333 P514 E518	K333-D516 WeakPolarHBondContact CE-OD1 3.39Å; K333-D516 IonicContact NZ-OD1 3.29Å; K333-D516 PolarHBondContact NZ-OD1 3.23Å; P514-D516 PolarHBondContact O-N 2.86Å; D516-E518 VanDerWaalsContact C-N 3.25Å; D516-E518 PolarHBondContact O-N 2.78Å
517	W	46.5	Very low	74.6	Confident	115 Å²	115	74.7 Å²	74.7	44%	0.436	39%	0.388	S	S	.	.			trans	-72.4	90.9	165.6	-53.3	102	0	0	0	106.6	V474 T515	V474-W517 HydrophobicContact CG1-CZ2 4.44Å; T515-W517 VanDerWaalsContact CB-NE1 3.32Å; T515-W517 HydrophobicContact CG2-CD2 4.12Å; T515-W517 HydrophobicContact CG2-CE3 4.36Å; T515-W517 HydrophobicContact CG2-CH2 4.24Å; T515-W517 HydrophobicContact CG2-CZ2 4Å; T515-W517 HydrophobicContact CG2-CZ3 4.42Å; T515-W517 PolarHBondContact O-N 3.02Å; T515-W517 WeakPolarHBondContact OG1-CZ2 3.22Å; T515-W517 PolarHBondContact OG1-NE1 2.88Å
518	E	34.1	Very low	73	Confident	249 Å²	249	77.2 Å²	77.2	100%	1.164	39%	0.388	S	S	*	.			trans	-57.3	0	141	-67.3	-175.6	165.9	0	0	108.5	D516	D516-E518 VanDerWaalsContact C-N 3.25Å; D516-E518 PolarHBondContact O-N 2.78Å

Retrieved 518 of 518 residues in 1402.2 ms (Link to these results)

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