A0A087X3E2_POEFO Loading...

Kinesin-like protein

Minus-end microtubule-dependent motor protein. Involved in apically targeted transport. Required for zonula adherens maintenance.

AlphaFold DB , UniProt , Accession A0A087X3E2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 799 aa.

						>A0A087X3E2_POEFO|A0A087X3E2
MSHLLSFLEQYSHFQQLQQQADQYRVQLKRHRVQHRRQMKTLRASYRQRIRDKNSVISSLEEAISQQQSPSPLSEGECSSDVGSPAGLHRLVESLYGLQGERSKLRGELRLLHSQLEQKERDRHTRIQAFQQQIDELKSCIEEREEELSRLRTAAGATDSEKRVLCLSAENESLKQSLSVTQGLLQQLSAIPSQSNTMLIKENENLRGRVQQLESSLQQRAEQLSQLERKSEHREWRRGEELRKREDRVRELELELNKERGKEPVVKYVTQTVEVESPATVKQLTKARQRNEVLSERLSGQNERCRQLEEQIRKSDEYSCNLQHKIAAYEREISHLREELLKEIGHLEEKKEEAVKAAASCSAEHFQNLQDQFFTLQKRLTALPPTLRSMKTDYASLRSQVRNFSEFYSAAISEAKKQISAAISEMSEANKDLLEKYRKEVALRRKLHEQLVELKGNIRVLCRVKPVLKEDQHEEGQSVVVTTDPNNESSLTVLSKGKGRSFELDKVFQPHATQEEVFQEIEPLVTSCIDGYHVCIFAYGQTGSGKTYTMEGSVENPGINQRALKHLFSEIEERKDMWSYTVTVSSVEIYNEVLRDLLSKDGEKLDIKINPDGTGQLHVPGLRVVEVRNFQHIKKILATARRNRITFGTQMNQHSSRSHALLCITVQGTDLASGSKTTGKMNLVDLAGSERVWKSGAEGERLKEAQNINRSLLALGDVIQALRGRHTHIPFRNSRLTYLLQDSLGKGSKTVMVVQVSALESNVGETLCSLKFAQRVCKVELGPAARKIESGGGQCDWRP
					

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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	48.9	Very low	59.9	Low	199 Å²	199	120.5 Å²	120.5	98%	0.98	60%	0.6	S	S	*	*				0	-46.8	0	-77.5	-161.9	-84.8	0	0	113.3	H3 L4 L5	M1-H3 PolarHBondContact O-N 3.26Å; M1-L4 WeakPolarHBondContact O-CA 3.44Å; M1-L4 WeakPolarHBondContact O-CB 3.48Å; M1-L4 PolarHBondContact O-N 3.48Å; M1-L5 PolarHBondContact O-N 2.98Å
2	S	52.4	Low	60.6	Low	83 Å²	83	115.5 Å²	115.5	58%	0.58	59%	0.585	S	S	*	*	H	α-helix	trans	-44.9	-49.4	179.9	48.8	0	0	0	0	115.3	L4 L5 S6	S2-L4 VanDerWaalsContact C-N 3.25Å; S2-L4 PolarHBondContact O-N 3.2Å; S2-L5 PolarHBondContact O-N 2.94Å; S2-S6 PolarHBondContact O-N 3.08Å
3	H	49.7	Very low	60.8	Low	162 Å²	162	115 Å²	115	75%	0.75	58%	0.579	S	S	*	*	H	α-helix	trans	-61	-29.8	177.5	-65.6	-73.2	0	0	0	114.1	M1 F7	M1-H3 PolarHBondContact O-N 3.26Å; H3-F7 WeakPolarHBondContact O-CB 3.39Å; H3-F7 PolarHBondContact O-N 3.09Å
4	L	55	Low	60.8	Low	118 Å²	118	115.4 Å²	115.4	62%	0.618	58%	0.575	S	S	*	*	H	α-helix	trans	-74.8	-39.7	176.7	-159	80.6	0	0	0	111.1	M1 S2 F7 L8	M1-L4 WeakPolarHBondContact O-CA 3.44Å; M1-L4 WeakPolarHBondContact O-CB 3.48Å; M1-L4 PolarHBondContact O-N 3.48Å; S2-L4 VanDerWaalsContact C-N 3.25Å; S2-L4 PolarHBondContact O-N 3.2Å; L4-F7 PolarHBondContact O-N 3.02Å; L4-L8 WeakPolarHBondContact O-CB 3.48Å; L4-L8 WeakPolarHBondContact O-CD1 3.44Å; L4-L8 VanDerWaalsContact O-CG 3.24Å; L4-L8 WeakPolarHBondContact O-CG 3.3Å; L4-L8 PolarHBondContact O-N 3.28Å
5	L	64.8	Low	61	Low	104 Å²	104	114.4 Å²	114.4	55%	0.545	57%	0.568	S	S	.	*	H	α-helix	trans	-63	-49.6	173.6	-78.1	158.2	0	0	0	111	M1 S2 F7 L8 E9	M1-L5 PolarHBondContact O-N 2.98Å; S2-L5 PolarHBondContact O-N 2.94Å; L5-F7 VanDerWaalsContact C-N 3.32Å; L5-F7 PolarHBondContact O-N 2.9Å; L5-L8 PolarHBondContact O-N 3.48Å; L5-E9 WeakPolarHBondContact O-CG 3.41Å; L5-E9 PolarHBondContact O-N 3.14Å
6	S	62.8	Low	61.1	Low	51 Å²	51	114.6 Å²	114.6	36%	0.357	57%	0.567	S	S	.	*	H	α-helix	trans	-59.5	-40	177.3	-179.3	0	0	0	0	112.5	S2 E9 Q10	S2-S6 PolarHBondContact O-N 3.08Å; S6-E9 PolarHBondContact O-N 3.25Å; S6-Q10 WeakPolarHBondContact O-CB 3.46Å; S6-Q10 WeakPolarHBondContact O-CG 3.49Å; S6-Q10 PolarHBondContact O-N 3.3Å
7	F	67.1	Low	60.5	Low	129 Å²	129	113.1 Å²	113.1	57%	0.566	56%	0.561	S	S	*	*	H	α-helix	trans	-64.2	-41	173.3	-179.5	-97.4	0	0	0	112.4	H3 L4 L5 Q10 Y11	H3-F7 WeakPolarHBondContact O-CB 3.39Å; H3-F7 PolarHBondContact O-N 3.09Å; L4-F7 PolarHBondContact O-N 3.02Å; L5-F7 VanDerWaalsContact C-N 3.32Å; L5-F7 PolarHBondContact O-N 2.9Å; F7-Q10 PolarHBondContact O-N 2.85Å; F7-Y11 VanDerWaalsContact O-CB 3.22Å; F7-Y11 WeakPolarHBondContact O-CB 3.44Å; F7-Y11 PolarHBondContact O-N 3.35Å
8	L	69.8	Low	59.9	Low	94 Å²	94	112.2 Å²	112.2	49%	0.492	56%	0.555	S	S	.	*	H	α-helix	trans	-68.2	-36.4	177.1	-72.2	166.7	0	0	0	112.4	L4 L5 Y11 S12	L4-L8 WeakPolarHBondContact O-CB 3.48Å; L4-L8 WeakPolarHBondContact O-CD1 3.44Å; L4-L8 VanDerWaalsContact O-CG 3.24Å; L4-L8 WeakPolarHBondContact O-CG 3.3Å; L4-L8 PolarHBondContact O-N 3.28Å; L5-L8 PolarHBondContact O-N 3.48Å; L8-Y11 PolarHBondContact O-N 3.43Å; L8-S12 VanDerWaalsContact O-CB 3.3Å; L8-S12 WeakPolarHBondContact O-CB 3.49Å; L8-S12 PolarHBondContact O-N 3.31Å
9	E	68.8	Low	59.9	Low	135 Å²	135	113.3 Å²	113.3	63%	0.631	56%	0.558	S	S	*	*	H	α-helix	trans	-65.2	-47.5	173	-72	172.9	154.1	0	0	111.5	L5 S6 Y11 S12 H13	L5-E9 WeakPolarHBondContact O-CG 3.41Å; L5-E9 PolarHBondContact O-N 3.14Å; S6-E9 PolarHBondContact O-N 3.25Å; E9-Y11 VanDerWaalsContact C-N 3.34Å; E9-Y11 PolarHBondContact O-N 3.37Å; E9-S12 WeakPolarHBondContact O-CB 3.43Å; E9-S12 PolarHBondContact O-N 3.36Å; E9-H13 PolarHBondContact O-N 3.06Å
10	Q	58.6	Low	59.6	Low	130 Å²	130	112.7 Å²	112.7	61%	0.607	55%	0.554	S	S	*	*	H	α-helix	trans	-61.5	-40.8	174.9	-73.4	177.8	-7.5	0	0	112	S6 F7 H13 F14	S6-Q10 WeakPolarHBondContact O-CB 3.46Å; S6-Q10 WeakPolarHBondContact O-CG 3.49Å; S6-Q10 PolarHBondContact O-N 3.3Å; F7-Q10 PolarHBondContact O-N 2.85Å; Q10-H13 PolarHBondContact O-N 3.36Å; Q10-F14 WeakPolarHBondContact O-CB 3.4Å; Q10-F14 PolarHBondContact O-N 3.13Å
11	Y	61.7	Low	58.8	Low	121 Å²	121	109 Å²	109	48%	0.475	54%	0.542	S	S	.	.	H	α-helix	trans	-66.7	-38.9	176.3	-173.1	-108	0	0	0	112.4	F7 L8 E9 F14 Q15	F7-Y11 VanDerWaalsContact O-CB 3.22Å; F7-Y11 WeakPolarHBondContact O-CB 3.44Å; F7-Y11 PolarHBondContact O-N 3.35Å; L8-Y11 PolarHBondContact O-N 3.43Å; E9-Y11 VanDerWaalsContact C-N 3.34Å; E9-Y11 PolarHBondContact O-N 3.37Å; Y11-F14 PolarHBondContact O-N 3.1Å; Y11-Q15 HydrophobicContact CE1-CG 4.38Å; Y11-Q15 WeakPolarHBondContact O-CG 3.48Å; Y11-Q15 PolarHBondContact O-N 3.36Å; Y11-Q15 PolarHBondContact OH-NE2 3.38Å
12	S	67.9	Low	58.9	Low	60 Å²	60	102.9 Å²	102.9	42%	0.42	51%	0.513	S	S	.	.	H	α-helix	trans	-63.3	-45.5	172.9	-174.3	0	0	0	0	111.8	L8 E9 F14 Q15 Q16	L8-S12 VanDerWaalsContact O-CB 3.3Å; L8-S12 WeakPolarHBondContact O-CB 3.49Å; L8-S12 PolarHBondContact O-N 3.31Å; E9-S12 WeakPolarHBondContact O-CB 3.43Å; E9-S12 PolarHBondContact O-N 3.36Å; S12-F14 VanDerWaalsContact C-N 3.34Å; S12-F14 PolarHBondContact O-N 3.48Å; S12-Q15 PolarHBondContact O-N 3.48Å; S12-Q16 PolarHBondContact O-N 3.3Å
13	H	63.3	Low	59	Low	109 Å²	109	104.1 Å²	104.1	51%	0.505	51%	0.51	S	S	.	.	H	α-helix	trans	-62.5	-40.5	175.6	-169.7	-14.1	0	0	0	111.8	E9 Q10 Q16 L17	E9-H13 PolarHBondContact O-N 3.06Å; Q10-H13 PolarHBondContact O-N 3.36Å; H13-Q16 PolarHBondContact O-N 2.79Å; H13-L17 WeakPolarHBondContact O-CG 3.39Å; H13-L17 PolarHBondContact O-N 3.08Å
14	F	61	Low	59	Low	121 Å²	121	103.5 Å²	103.5	53%	0.531	50%	0.502	S	S	.	.	H	α-helix	trans	-60.9	-44.1	173.9	178.6	-95.6	0	0	0	111.8	Q10 Y11 S12 Q16 L17 Q18	Q10-F14 WeakPolarHBondContact O-CB 3.4Å; Q10-F14 PolarHBondContact O-N 3.13Å; Y11-F14 PolarHBondContact O-N 3.1Å; S12-F14 VanDerWaalsContact C-N 3.34Å; S12-F14 PolarHBondContact O-N 3.48Å; F14-Q16 PolarHBondContact O-N 3.1Å; F14-L17 PolarHBondContact O-N 3.14Å; F14-Q18 VanDerWaalsContact CE1-OE1 3.31Å; F14-Q18 WeakPolarHBondContact O-CB 3.3Å; F14-Q18 PolarHBondContact O-N 3.33Å
15	Q	64	Low	58.7	Low	100 Å²	100	105 Å²	105	47%	0.467	50%	0.499	S	S	.	.	H	α-helix	trans	-62.2	-40.8	175	-74.1	-171.4	-9.1	0	0	112.4	Y11 S12 Q18 Q19	Y11-Q15 HydrophobicContact CE1-CG 4.38Å; Y11-Q15 WeakPolarHBondContact O-CG 3.48Å; Y11-Q15 PolarHBondContact O-N 3.36Å; Y11-Q15 PolarHBondContact OH-NE2 3.38Å; S12-Q15 PolarHBondContact O-N 3.48Å; Q15-Q18 PolarHBondContact O-N 3.07Å; Q15-Q19 WeakPolarHBondContact O-CB 3.45Å; Q15-Q19 PolarHBondContact O-N 3.48Å
16	Q	62.3	Low	58.3	Low	117 Å²	117	103.5 Å²	103.5	55%	0.547	50%	0.495	S	S	.	.	H	α-helix	trans	-62.3	-44.7	174.8	-72.1	-174.9	-5.5	0	0	112.3	S12 H13 F14 Q19 Q20	S12-Q16 PolarHBondContact O-N 3.3Å; H13-Q16 PolarHBondContact O-N 2.79Å; F14-Q16 PolarHBondContact O-N 3.1Å; Q16-Q19 PolarHBondContact O-N 3.1Å; Q16-Q20 PolarHBondContact O-N 3.33Å
17	L	49.8	Very low	57.6	Low	89 Å²	89	106.4 Å²	106.4	47%	0.466	50%	0.502	S	S	.	.	H	α-helix	trans	-62.8	-41.9	176.4	-73.3	170.5	0	0	0	111.8	H13 F14 Q19 Q20 A21	H13-L17 WeakPolarHBondContact O-CG 3.39Å; H13-L17 PolarHBondContact O-N 3.08Å; F14-L17 PolarHBondContact O-N 3.14Å; L17-Q19 VanDerWaalsContact C-N 3.35Å; L17-Q20 PolarHBondContact O-N 3.43Å; L17-A21 WeakPolarHBondContact O-CB 3.36Å; L17-A21 PolarHBondContact O-N 3.03Å
18	Q	50.3	Low	56.5	Low	97 Å²	97	104.5 Å²	104.5	45%	0.453	50%	0.498	S	S	.	.	H	α-helix	trans	-63.5	-41.1	175.6	-173.6	170	-15.2	0	0	111.6	F14 Q15 A21 D22	F14-Q18 VanDerWaalsContact CE1-OE1 3.31Å; F14-Q18 WeakPolarHBondContact O-CB 3.3Å; F14-Q18 PolarHBondContact O-N 3.33Å; Q15-Q18 PolarHBondContact O-N 3.07Å; Q18-A21 PolarHBondContact O-N 3.17Å; Q18-D22 PolarHBondContact O-N 3.32Å
19	Q	59.9	Low	55.4	Low	133 Å²	133	107.4 Å²	107.4	62%	0.621	51%	0.506	S	S	*	.	H	α-helix	trans	-66.9	-39.6	177.4	-162.5	177.2	65.5	0	0	112.3	Q15 Q16 L17 D22 Q23	Q15-Q19 WeakPolarHBondContact O-CB 3.45Å; Q15-Q19 PolarHBondContact O-N 3.48Å; Q16-Q19 PolarHBondContact O-N 3.1Å; L17-Q19 VanDerWaalsContact C-N 3.35Å; Q19-D22 PolarHBondContact O-N 3.3Å; Q19-Q23 WeakPolarHBondContact O-CG 3.48Å; Q19-Q23 PolarHBondContact O-N 3.36Å
20	Q	53.2	Low	54.5	Low	101 Å²	101	109.9 Å²	109.9	47%	0.472	51%	0.51	S	S	.	.	H	α-helix	trans	-63.2	-44.3	170.7	-75	-175	-8.5	0	0	111.9	Q16 L17 D22 Q23 Y24	Q16-Q20 PolarHBondContact O-N 3.33Å; L17-Q20 PolarHBondContact O-N 3.43Å; Q20-D22 VanDerWaalsContact C-N 3.28Å; Q20-D22 PolarHBondContact O-N 2.76Å; Q20-Q23 WeakPolarHBondContact O-CB 3.34Å; Q20-Q23 PolarHBondContact O-N 3.31Å; Q20-Q23 VanDerWaalsContact O-N 3.14Å; Q20-Y24 HydrophobicContact CB-CE2 4.43Å; Q20-Y24 WeakPolarHBondContact O-CD2 3.47Å; Q20-Y24 PolarHBondContact O-N 3.35Å
21	A	42.9	Very low	54	Low	37 Å²	37	109.7 Å²	109.7	31%	0.306	51%	0.509	S	S	.	.	H	α-helix	trans	-58.8	-39.8	177.5	0	0	0	0	0	111.8	L17 Q18 Y24 R25	L17-A21 WeakPolarHBondContact O-CB 3.36Å; L17-A21 PolarHBondContact O-N 3.03Å; Q18-A21 PolarHBondContact O-N 3.17Å; A21-Y24 PolarHBondContact O-N 3.39Å; A21-R25 WeakPolarHBondContact O-CB 3.27Å; A21-R25 WeakPolarHBondContact O-CD 3.27Å; A21-R25 WeakPolarHBondContact O-CG 3.35Å; A21-R25 PolarHBondContact O-N 3.21Å
22	D	51.2	Low	53.2	Low	69 Å²	69	111.9 Å²	111.9	37%	0.369	52%	0.516	S	S	.	.	H	α-helix	trans	-71.1	-34.7	174.9	-77.4	-34.1	0	0	0	113.5	Q18 Q19 Q20 R25 V26	Q18-D22 PolarHBondContact O-N 3.32Å; Q19-D22 PolarHBondContact O-N 3.3Å; Q20-D22 VanDerWaalsContact C-N 3.28Å; Q20-D22 PolarHBondContact O-N 2.76Å; D22-R25 PolarHBondContact O-N 3Å; D22-R25 WeakPolarHBondContact OD1-CD 3.3Å; D22-R25 IonicContact OD1-CZ 3.52Å; D22-R25 IonicContact OD1-NE 2.66Å; D22-R25 IonicContact OD1-NH1 3.87Å; D22-R25 PolarHBondContact OD1-NH1 3.22Å; D22-R25 IonicContact OD2-NH1 3.88Å; D22-V26 WeakPolarHBondContact O-CG2 3.41Å; D22-V26 PolarHBondContact O-N 3.32Å
23	Q	55.4	Low	52.3	Low	110 Å²	110	112.6 Å²	112.6	51%	0.514	52%	0.518	S	S	.	.	H	α-helix	trans	-60.2	-46.5	168.9	-70.7	-179.8	19.4	0	0	111.7	Q19 Q20 V26 Q27	Q19-Q23 WeakPolarHBondContact O-CG 3.48Å; Q19-Q23 PolarHBondContact O-N 3.36Å; Q20-Q23 WeakPolarHBondContact O-CB 3.34Å; Q20-Q23 PolarHBondContact O-N 3.31Å; Q20-Q23 VanDerWaalsContact O-N 3.14Å; Q23-V26 PolarHBondContact O-N 3.17Å; Q23-Q27 WeakPolarHBondContact O-CG 3.32Å; Q23-Q27 PolarHBondContact O-N 3.17Å
24	Y	48.6	Very low	51.5	Low	149 Å²	149	112.9 Å²	112.9	58%	0.584	52%	0.519	S	S	*	.	H	α-helix	trans	-64.8	-39	176.3	-71	-58.5	0	0	0	112.5	Q20 A21 V26 Q27 L28	Q20-Y24 HydrophobicContact CB-CE2 4.43Å; Q20-Y24 WeakPolarHBondContact O-CD2 3.47Å; Q20-Y24 PolarHBondContact O-N 3.35Å; A21-Y24 PolarHBondContact O-N 3.39Å; Y24-V26 VanDerWaalsContact C-N 3.32Å; Y24-V26 PolarHBondContact O-N 3.22Å; Y24-Q27 PolarHBondContact O-N 3.03Å; Y24-L28 WeakPolarHBondContact O-CB 3.32Å; Y24-L28 PolarHBondContact O-N 3.45Å
25	R	49.4	Very low	50.8	Low	149 Å²	149	111.7 Å²	111.7	56%	0.562	52%	0.515	S	S	*	.	H	α-helix	trans	-59.1	-41.3	172.1	-73.1	158.9	176.9	171.6	2.2	111.5	A21 D22 K29	A21-R25 WeakPolarHBondContact O-CB 3.27Å; A21-R25 WeakPolarHBondContact O-CD 3.27Å; A21-R25 WeakPolarHBondContact O-CG 3.35Å; A21-R25 PolarHBondContact O-N 3.21Å; D22-R25 PolarHBondContact O-N 3Å; D22-R25 WeakPolarHBondContact OD1-CD 3.3Å; D22-R25 IonicContact OD1-CZ 3.52Å; D22-R25 IonicContact OD1-NE 2.66Å; D22-R25 IonicContact OD1-NH1 3.87Å; D22-R25 PolarHBondContact OD1-NH1 3.22Å; D22-R25 IonicContact OD2-NH1 3.88Å; R25-K29 WeakPolarHBondContact O-CB 3.46Å; R25-K29 PolarHBondContact O-N 2.92Å
26	V	55.9	Low	49.9	Very low	73 Å²	73	115.8 Å²	115.8	44%	0.442	53%	0.526	S	S	.	.	H	α-helix	trans	-67.6	-43.3	175.9	169.7	0	0	0	0	111.9	D22 Q23 Y24 K29 R30	D22-V26 WeakPolarHBondContact O-CG2 3.41Å; D22-V26 PolarHBondContact O-N 3.32Å; Q23-V26 PolarHBondContact O-N 3.17Å; Y24-V26 VanDerWaalsContact C-N 3.32Å; Y24-V26 PolarHBondContact O-N 3.22Å; V26-K29 PolarHBondContact O-N 3.01Å; V26-R30 WeakPolarHBondContact O-CG 3.36Å; V26-R30 PolarHBondContact O-N 2.79Å
27	Q	48.3	Very low	49.4	Very low	111 Å²	111	118.9 Å²	118.9	52%	0.519	53%	0.533	S	S	.	.	H	α-helix	trans	-60.7	-46.6	174.7	-70.3	-179.6	9.8	0	0	111.6	Q23 Y24 K29 R30 H31	Q23-Q27 WeakPolarHBondContact O-CG 3.32Å; Q23-Q27 PolarHBondContact O-N 3.17Å; Y24-Q27 PolarHBondContact O-N 3.03Å; Q27-K29 VanDerWaalsContact C-N 3.3Å; Q27-K29 PolarHBondContact O-N 2.84Å; Q27-R30 WeakPolarHBondContact O-CB 3.36Å; Q27-R30 PolarHBondContact O-N 3.14Å; Q27-H31 PolarHBondContact O-N 3.29Å
28	L	43.9	Very low	49.2	Very low	89 Å²	89	120.1 Å²	120.1	47%	0.466	54%	0.537	S	S	.	.	H	α-helix	trans	-59.3	-40.4	175.6	-173.9	70.4	0	0	0	111.7	Y24 H31 R32	Y24-L28 WeakPolarHBondContact O-CB 3.32Å; Y24-L28 PolarHBondContact O-N 3.45Å; L28-H31 PolarHBondContact O-N 3.02Å; L28-R32 WeakPolarHBondContact O-CB 3.48Å; L28-R32 VanDerWaalsContact O-CG 3.32Å; L28-R32 WeakPolarHBondContact O-CG 3.48Å; L28-R32 PolarHBondContact O-N 3.12Å
29	K	47.5	Very low	48.9	Very low	156 Å²	156	119.4 Å²	119.4	68%	0.678	53%	0.534	S	S	*	.	H	α-helix	trans	-64.8	-42.6	176	-164	174.3	-174.6	177.9	0	111.5	R25 V26 Q27 V33	R25-K29 WeakPolarHBondContact O-CB 3.46Å; R25-K29 PolarHBondContact O-N 2.92Å; V26-K29 PolarHBondContact O-N 3.01Å; Q27-K29 VanDerWaalsContact C-N 3.3Å; Q27-K29 PolarHBondContact O-N 2.84Å; K29-V33 WeakPolarHBondContact O-CG2 3.31Å; K29-V33 PolarHBondContact O-N 3.4Å; K29-V33 VanDerWaalsContact O-N 3.09Å
30	R	49.3	Very low	48.5	Very low	187 Å²	187	120.9 Å²	120.9	71%	0.706	54%	0.539	S	S	*	.	H	α-helix	trans	-60.6	-49.5	173.2	-72.6	178.2	178	-174.4	0.1	111.4	V26 Q27 R32 V33 Q34	V26-R30 WeakPolarHBondContact O-CG 3.36Å; V26-R30 PolarHBondContact O-N 2.79Å; Q27-R30 WeakPolarHBondContact O-CB 3.36Å; Q27-R30 PolarHBondContact O-N 3.14Å; R30-R32 PolarHBondContact O-N 3.5Å; R30-V33 PolarHBondContact O-N 3.24Å; R30-V33 VanDerWaalsContact O-N 3.13Å; R30-Q34 PolarHBondContact O-N 3.19Å
31	H	49.2	Very low	48.4	Very low	125 Å²	125	121 Å²	121	58%	0.579	55%	0.546	S	S	*	.	H	α-helix	trans	-62	-42.8	179.4	-169.5	-102.2	0	0	0	112.4	Q27 L28 V33 Q34 H35	Q27-H31 PolarHBondContact O-N 3.29Å; L28-H31 PolarHBondContact O-N 3.02Å; H31-V33 VanDerWaalsContact C-N 3.31Å; H31-V33 PolarHBondContact O-N 3.14Å; H31-Q34 PolarHBondContact O-N 2.67Å; H31-H35 WeakPolarHBondContact O-CB 3.46Å; H31-H35 PolarHBondContact O-N 3.08Å
32	R	43.5	Very low	48.6	Very low	168 Å²	168	123.9 Å²	123.9	63%	0.634	56%	0.556	S	S	*	*	H	α-helix	trans	-60.4	-36.5	173.7	-75.9	177.7	176.5	-170.4	-0.1	112.7	L28 R30 R36	L28-R32 WeakPolarHBondContact O-CB 3.48Å; L28-R32 VanDerWaalsContact O-CG 3.32Å; L28-R32 WeakPolarHBondContact O-CG 3.48Å; L28-R32 PolarHBondContact O-N 3.12Å; R30-R32 PolarHBondContact O-N 3.5Å; R32-R36 WeakPolarHBondContact O-CB 3.36Å; R32-R36 WeakPolarHBondContact O-CG 3.36Å; R32-R36 PolarHBondContact O-N 3.31Å
33	V	50.1	Low	48.5	Very low	75 Å²	75	128 Å²	128	46%	0.455	57%	0.566	S	S	.	*	H	α-helix	trans	-70.9	-42.6	175.2	169.4	0	0	0	0	111.7	K29 R30 H31 R36 R37	K29-V33 WeakPolarHBondContact O-CG2 3.31Å; K29-V33 PolarHBondContact O-N 3.4Å; K29-V33 VanDerWaalsContact O-N 3.09Å; R30-V33 PolarHBondContact O-N 3.24Å; R30-V33 VanDerWaalsContact O-N 3.13Å; H31-V33 VanDerWaalsContact C-N 3.31Å; H31-V33 PolarHBondContact O-N 3.14Å; V33-R36 PolarHBondContact O-N 3.41Å; V33-R37 WeakPolarHBondContact O-CG 3.38Å; V33-R37 PolarHBondContact O-N 3.49Å
34	Q	46.7	Very low	48.3	Very low	114 Å²	114	125.2 Å²	125.2	53%	0.533	56%	0.562	S	S	.	*	H	α-helix	trans	-61.8	-46.6	176.7	-174.3	173.2	-1.2	0	0	111.6	R30 H31 R36 R37 Q38	R30-Q34 PolarHBondContact O-N 3.19Å; H31-Q34 PolarHBondContact O-N 2.67Å; Q34-R36 PolarHBondContact O-N 3.1Å; Q34-R37 WeakPolarHBondContact O-CB 3.38Å; Q34-R37 PolarHBondContact O-N 3.03Å; Q34-R37 VanDerWaalsContact O-N 3.12Å; Q34-Q38 PolarHBondContact O-N 2.99Å
35	H	45	Very low	48.5	Very low	96 Å²	96	120.5 Å²	120.5	44%	0.444	55%	0.551	S	S	.	*	H	α-helix	trans	-61.7	-41.4	174.7	-172.7	-107.5	0	0	0	112.2	H31 R37 Q38 M39	H31-H35 WeakPolarHBondContact O-CB 3.46Å; H31-H35 PolarHBondContact O-N 3.08Å; H35-R37 VanDerWaalsContact C-N 3.32Å; H35-R37 PolarHBondContact O-N 3.26Å; H35-Q38 PolarHBondContact O-N 3.14Å; H35-M39 WeakPolarHBondContact O-CB 3.49Å; H35-M39 PolarHBondContact O-N 2.99Å
36	R	44.6	Very low	48.4	Very low	187 Å²	187	119.5 Å²	119.5	71%	0.706	55%	0.548	S	S	*	.	H	α-helix	trans	-62.3	-34.3	172.8	-85.3	-176.3	166.6	-170.5	-4.4	113	R32 V33 Q34 K40	R32-R36 WeakPolarHBondContact O-CB 3.36Å; R32-R36 WeakPolarHBondContact O-CG 3.36Å; R32-R36 PolarHBondContact O-N 3.31Å; V33-R36 PolarHBondContact O-N 3.41Å; Q34-R36 PolarHBondContact O-N 3.1Å; R36-K40 WeakPolarHBondContact O-CG 3.43Å; R36-K40 PolarHBondContact O-N 3.22Å; R36-K40 VanDerWaalsContact O-N 3.12Å
37	R	51.7	Low	48.3	Very low	182 Å²	182	123.7 Å²	123.7	69%	0.687	56%	0.556	S	S	*	*	H	α-helix	trans	-67.9	-50.5	173.4	-74.2	179.5	175.2	-172.2	-2.3	111.2	V33 Q34 H35 M39 K40 T41	V33-R37 WeakPolarHBondContact O-CG 3.38Å; V33-R37 PolarHBondContact O-N 3.49Å; Q34-R37 WeakPolarHBondContact O-CB 3.38Å; Q34-R37 PolarHBondContact O-N 3.03Å; Q34-R37 VanDerWaalsContact O-N 3.12Å; H35-R37 VanDerWaalsContact C-N 3.32Å; H35-R37 PolarHBondContact O-N 3.26Å; R37-M39 VanDerWaalsContact C-N 3.35Å; R37-M39 PolarHBondContact O-N 3.45Å; R37-K40 WeakPolarHBondContact O-CB 3.38Å; R37-K40 PolarHBondContact O-N 3.35Å; R37-K40 VanDerWaalsContact O-N 3.07Å; R37-T41 PolarHBondContact O-N 3.33Å; R37-T41 VanDerWaalsContact O-N 3.08Å; R37-T41 PolarHBondContact O-OG1 3.27Å
38	Q	47.2	Very low	48.7	Very low	115 Å²	115	122.4 Å²	122.4	54%	0.537	55%	0.55	S	S	.	.	H	α-helix	trans	-56.1	-46.4	176.7	-71.9	170.4	-31	0	0	112	Q34 H35 K40 T41 L42	Q34-Q38 PolarHBondContact O-N 2.99Å; H35-Q38 PolarHBondContact O-N 3.14Å; Q38-K40 VanDerWaalsContact C-N 3.34Å; Q38-K40 PolarHBondContact O-N 3.05Å; Q38-T41 PolarHBondContact O-N 3.1Å; Q38-L42 PolarHBondContact O-N 3.07Å
39	M	44.3	Very low	49.2	Very low	81 Å²	81	122 Å²	122	40%	0.399	54%	0.542	S	S	.	.	H	α-helix	trans	-63.3	-33.3	175.7	-84	-70.7	-172	0	0	113.6	H35 R37 R43	H35-M39 WeakPolarHBondContact O-CB 3.49Å; H35-M39 PolarHBondContact O-N 2.99Å; R37-M39 VanDerWaalsContact C-N 3.35Å; R37-M39 PolarHBondContact O-N 3.45Å; M39-R43 VanDerWaalsContact O-CB 3.31Å; M39-R43 WeakPolarHBondContact O-CB 3.38Å; M39-R43 VanDerWaalsContact O-CG 3.24Å; M39-R43 WeakPolarHBondContact O-CG 2.99Å; M39-R43 PolarHBondContact O-N 3.17Å
40	K	50.1	Low	49.3	Very low	165 Å²	165	119 Å²	119	72%	0.717	53%	0.533	S	S	*	.	H	α-helix	trans	-64.7	-45.1	171.9	-83.7	-171.6	173.8	-167.9	0	111.4	R36 R37 Q38 R43 A44	R36-K40 WeakPolarHBondContact O-CG 3.43Å; R36-K40 PolarHBondContact O-N 3.22Å; R36-K40 VanDerWaalsContact O-N 3.12Å; R37-K40 WeakPolarHBondContact O-CB 3.38Å; R37-K40 PolarHBondContact O-N 3.35Å; R37-K40 VanDerWaalsContact O-N 3.07Å; Q38-K40 VanDerWaalsContact C-N 3.34Å; Q38-K40 PolarHBondContact O-N 3.05Å; K40-R43 PolarHBondContact O-N 2.93Å; K40-A44 PolarHBondContact O-N 3.44Å
41	T	50.7	Low	49.7	Very low	103 Å²	103	117.1 Å²	117.1	63%	0.632	53%	0.525	S	S	*	.	H	α-helix	trans	-63.2	-43.3	177.2	-49	0	0	0	0	111.6	R37 Q38 R43 A44 S45	R37-T41 PolarHBondContact O-N 3.33Å; R37-T41 VanDerWaalsContact O-N 3.08Å; R37-T41 PolarHBondContact O-OG1 3.27Å; Q38-T41 PolarHBondContact O-N 3.1Å; T41-R43 PolarHBondContact O-N 2.97Å; T41-A44 WeakPolarHBondContact O-CB 3.39Å; T41-A44 PolarHBondContact O-N 3.41Å; T41-A44 VanDerWaalsContact O-N 3.09Å; T41-S45 PolarHBondContact O-N 3.36Å
42	L	47.9	Very low	50.2	Low	98 Å²	98	114.6 Å²	114.6	51%	0.513	52%	0.516	S	S	.	.	H	α-helix	trans	-62.3	-44.4	177.2	-151.1	79.5	0	0	0	111.7	Q38 A44 S45 Y46	Q38-L42 PolarHBondContact O-N 3.07Å; L42-A44 PolarHBondContact O-N 2.85Å; L42-S45 PolarHBondContact O-N 3.22Å; L42-Y46 PolarHBondContact O-N 2.92Å
43	R	49.3	Very low	50.9	Low	155 Å²	155	110.8 Å²	110.8	59%	0.585	50%	0.504	S	S	*	.	H	α-helix	trans	-68	-17.3	174	-72.1	176.6	177.8	-163.1	-0.9	113.7	M39 K40 T41 R47	M39-R43 VanDerWaalsContact O-CB 3.31Å; M39-R43 WeakPolarHBondContact O-CB 3.38Å; M39-R43 VanDerWaalsContact O-CG 3.24Å; M39-R43 WeakPolarHBondContact O-CG 2.99Å; M39-R43 PolarHBondContact O-N 3.17Å; K40-R43 PolarHBondContact O-N 2.93Å; T41-R43 PolarHBondContact O-N 2.97Å; R43-R47 WeakPolarHBondContact O-CG 3.48Å; R43-R47 PolarHBondContact O-NE 2.77Å
44	A	51.4	Low	51	Low	52 Å²	52	111.5 Å²	111.5	43%	0.43	51%	0.506	S	S	.	.	H	α-helix	trans	-79.8	-49	169.6	0	0	0	0	0	110.6	K40 T41 L42 Y46 R47 Q48	K40-A44 PolarHBondContact O-N 3.44Å; T41-A44 WeakPolarHBondContact O-CB 3.39Å; T41-A44 PolarHBondContact O-N 3.41Å; T41-A44 VanDerWaalsContact O-N 3.09Å; L42-A44 PolarHBondContact O-N 2.85Å; A44-Y46 VanDerWaalsContact C-N 3.32Å; A44-Y46 PolarHBondContact O-N 3.18Å; A44-R47 CarbonylContact O-C 3.57Å; A44-R47 PolarHBondContact O-N 3.39Å; A44-Q48 PolarHBondContact O-N 2.97Å
45	S	51.8	Low	51.6	Low	49 Å²	49	109.7 Å²	109.7	34%	0.343	51%	0.506	S	S	.	.	H	α-helix	trans	-55	-44	175.2	176	0	0	0	0	112.6	T41 L42 Q48 R49	T41-S45 PolarHBondContact O-N 3.36Å; L42-S45 PolarHBondContact O-N 3.22Å; S45-Q48 PolarHBondContact O-N 3.26Å; S45-R49 PolarHBondContact O-N 3.05Å; S45-R49 PolarHBondContact OG-NH2 3.06Å; S45-R49 VanDerWaalsContact OG-NH2 3.13Å
46	Y	49.1	Very low	52.4	Low	129 Å²	129	108.9 Å²	108.9	51%	0.506	51%	0.507	S	S	.	.	H	α-helix	trans	-64.2	-38.7	175.9	-97.8	-88.3	0	0	0	113.1	L42 A44 Q48 R49 I50	L42-Y46 PolarHBondContact O-N 2.92Å; A44-Y46 VanDerWaalsContact C-N 3.32Å; A44-Y46 PolarHBondContact O-N 3.18Å; Y46-Q48 VanDerWaalsContact C-N 3.29Å; Y46-Q48 PolarHBondContact O-N 3.14Å; Y46-R49 PolarHBondContact O-N 3.02Å; Y46-I50 VanDerWaalsContact O-CG1 3.29Å; Y46-I50 WeakPolarHBondContact O-CG1 3.49Å; Y46-I50 PolarHBondContact O-N 3.15Å
47	R	53.3	Low	52.8	Low	160 Å²	160	103.9 Å²	103.9	60%	0.604	49%	0.493	S	S	*	.	H	α-helix	trans	-79	-7.8	177	-73.9	-177.3	-66.9	170.7	5.5	114	R43 A44 R51	R43-R47 WeakPolarHBondContact O-CG 3.48Å; R43-R47 PolarHBondContact O-NE 2.77Å; A44-R47 CarbonylContact O-C 3.57Å; A44-R47 PolarHBondContact O-N 3.39Å; R47-R51 PolarHBondContact O-NE 3.38Å; R47-R51 PolarHBondContact O-NH2 2.98Å
48	Q	55.7	Low	53.1	Low	85 Å²	85	98.2 Å²	98.2	40%	0.397	48%	0.482	S	S	.	.	H	α-helix	trans	-79.9	-59	160.8	-166.4	59.6	52.3	0	0	108.8	A44 S45 Y46 I50 R51 D52	A44-Q48 PolarHBondContact O-N 2.97Å; S45-Q48 PolarHBondContact O-N 3.26Å; Y46-Q48 VanDerWaalsContact C-N 3.29Å; Y46-Q48 PolarHBondContact O-N 3.14Å; Q48-I50 PolarHBondContact O-N 2.72Å; Q48-R51 WeakPolarHBondContact O-CA 3.44Å; Q48-R51 WeakPolarHBondContact O-CB 3.4Å; Q48-R51 PolarHBondContact O-N 2.97Å; Q48-D52 PolarHBondContact NE2-OD1 2.96Å; Q48-D52 PolarHBondContact O-N 3.39Å; Q48-D52 VanDerWaalsContact O-OD2 3.12Å
49	R	54.8	Low	53.8	Low	81 Å²	81	96 Å²	96	31%	0.306	48%	0.479	S	S	.	.	H	α-helix	trans	-53.4	-27.9	-179.7	-79	-171.8	-89.8	-170.9	-7.1	115.2	S45 Y46 D52 K53 E108	S45-R49 PolarHBondContact O-N 3.05Å; S45-R49 PolarHBondContact OG-NH2 3.06Å; S45-R49 VanDerWaalsContact OG-NH2 3.13Å; Y46-R49 PolarHBondContact O-N 3.02Å; R49-D52 VanDerWaalsContact CA-OD2 3.28Å; R49-D52 WeakPolarHBondContact CA-OD2 3.41Å; R49-D52 PolarHBondContact N-OD2 3.44Å; R49-K53 VanDerWaalsContact O-CG 3.32Å; R49-K53 WeakPolarHBondContact O-CG 3.34Å; R49-K53 PolarHBondContact O-N 3.02Å; R49-E108 IonicContact NH1-OE2 3.44Å; R49-E108 PolarHBondContact NH1-OE2 3.4Å
50	I	49.5	Very low	54.2	Low	92 Å²	92	95.4 Å²	95.4	47%	0.472	48%	0.477	S	S	.	.	H	α-helix	trans	-74.2	-43.1	172.2	-69.3	164.3	0	0	0	112	Y46 Q48 K53 N54	Y46-I50 VanDerWaalsContact O-CG1 3.29Å; Y46-I50 WeakPolarHBondContact O-CG1 3.49Å; Y46-I50 PolarHBondContact O-N 3.15Å; Q48-I50 PolarHBondContact O-N 2.72Å; I50-K53 PolarHBondContact O-N 3.25Å; I50-N54 VanDerWaalsContact O-CG 3.28Å; I50-N54 PolarHBondContact O-N 3.05Å; I50-N54 PolarHBondContact O-OD1 3Å; I50-N54 VanDerWaalsContact O-OD1 3.09Å
51	R	57.8	Low	54.5	Low	147 Å²	147	92.9 Å²	92.9	56%	0.555	47%	0.468	S	S	*	.	H	α-helix	trans	-64.8	-41.9	175.1	-81.4	179.4	-71.1	141.3	7	111.5	R47 Q48 K53 N54 S55	R47-R51 PolarHBondContact O-NE 3.38Å; R47-R51 PolarHBondContact O-NH2 2.98Å; Q48-R51 WeakPolarHBondContact O-CA 3.44Å; Q48-R51 WeakPolarHBondContact O-CB 3.4Å; Q48-R51 PolarHBondContact O-N 2.97Å; R51-K53 VanDerWaalsContact C-N 3.28Å; R51-K53 PolarHBondContact O-N 3.44Å; R51-N54 PolarHBondContact O-N 2.97Å; R51-S55 PolarHBondContact O-N 3.45Å
52	D	60.8	Low	55.1	Low	72 Å²	72	93.9 Å²	93.9	39%	0.385	47%	0.465	S	S	.	.	H	α-helix	trans	-58.8	-42.6	177.8	-46.8	-30.5	0	0	0	110.5	Q48 R49 S55 V56	Q48-D52 PolarHBondContact NE2-OD1 2.96Å; Q48-D52 PolarHBondContact O-N 3.39Å; Q48-D52 VanDerWaalsContact O-OD2 3.12Å; R49-D52 VanDerWaalsContact CA-OD2 3.28Å; R49-D52 WeakPolarHBondContact CA-OD2 3.41Å; R49-D52 PolarHBondContact N-OD2 3.44Å; D52-S55 WeakPolarHBondContact O-CB 3.4Å; D52-S55 PolarHBondContact O-N 3.33Å; D52-V56 PolarHBondContact O-N 3.02Å
53	K	58.1	Low	55.6	Low	88 Å²	88	91.6 Å²	91.6	38%	0.383	46%	0.461	S	S	.	.	H	α-helix	trans	-70.7	-40.1	176.1	-74.4	-174.8	179.6	-155.6	0	113.9	R49 I50 R51 S55 V56 I57 E101	R49-K53 VanDerWaalsContact O-CG 3.32Å; R49-K53 WeakPolarHBondContact O-CG 3.34Å; R49-K53 PolarHBondContact O-N 3.02Å; I50-K53 PolarHBondContact O-N 3.25Å; R51-K53 VanDerWaalsContact C-N 3.28Å; R51-K53 PolarHBondContact O-N 3.44Å; K53-S55 VanDerWaalsContact C-N 3.25Å; K53-S55 PolarHBondContact O-N 3.42Å; K53-V56 PolarHBondContact O-N 3.1Å; K53-I57 WeakPolarHBondContact O-CG1 3.48Å; K53-I57 PolarHBondContact O-N 2.98Å; K53-E101 WeakPolarHBondContact CE-OE2 3.43Å; K53-E101 IonicContact NZ-OE2 3.28Å; K53-E101 PolarHBondContact NZ-OE2 3.3Å
54	N	52	Low	55.8	Low	91 Å²	91	88.7 Å²	88.7	49%	0.487	46%	0.455	S	S	.	.	H	α-helix	trans	-63	-34.9	175.7	-71	16.6	0	0	0	111.3	I50 R51 I57 S58	I50-N54 VanDerWaalsContact O-CG 3.28Å; I50-N54 PolarHBondContact O-N 3.05Å; I50-N54 PolarHBondContact O-OD1 3Å; I50-N54 VanDerWaalsContact O-OD1 3.09Å; R51-N54 PolarHBondContact O-N 2.97Å; N54-I57 PolarHBondContact O-N 2.81Å; N54-S58 PolarHBondContact O-N 3.12Å; N54-S58 PolarHBondContact O-OG 3.43Å
55	S	59.2	Low	56.1	Low	76 Å²	76	90.2 Å²	90.2	53%	0.531	46%	0.463	S	S	.	.	H	α-helix	trans	-61.7	-42.9	173.3	-164.9	0	0	0	0	112.4	R51 D52 K53 I57 S58 S59	R51-S55 PolarHBondContact O-N 3.45Å; D52-S55 WeakPolarHBondContact O-CB 3.4Å; D52-S55 PolarHBondContact O-N 3.33Å; K53-S55 VanDerWaalsContact C-N 3.25Å; K53-S55 PolarHBondContact O-N 3.42Å; S55-I57 VanDerWaalsContact C-N 3.32Å; S55-S58 PolarHBondContact O-N 3Å; S55-S59 PolarHBondContact O-N 3.32Å; S55-S59 VanDerWaalsContact O-N 3.16Å; S55-S59 PolarHBondContact O-OG 3.05Å
56	V	60.5	Low	56.4	Low	78 Å²	78	95.1 Å²	95.1	47%	0.473	48%	0.481	S	S	.	.	H	α-helix	trans	-66.2	-35.8	176.3	175	0	0	0	0	111.5	D52 K53 L60	D52-V56 PolarHBondContact O-N 3.02Å; K53-V56 PolarHBondContact O-N 3.1Å; V56-L60 HydrophobicContact CG1-CD1 4.16Å; V56-L60 WeakPolarHBondContact O-CG 3.17Å; V56-L60 PolarHBondContact O-N 3.38Å; V56-L60 VanDerWaalsContact O-N 3.16Å
57	I	54.4	Low	56.6	Low	82 Å²	82	97.1 Å²	97.1	42%	0.421	50%	0.495	S	S	.	.	H	α-helix	trans	-63.9	-50.4	175.5	-69.2	165.3	0	0	0	110.4	K53 N54 S55 S59 L60 E61	K53-I57 WeakPolarHBondContact O-CG1 3.48Å; K53-I57 PolarHBondContact O-N 2.98Å; N54-I57 PolarHBondContact O-N 2.81Å; S55-I57 VanDerWaalsContact C-N 3.32Å; I57-S59 VanDerWaalsContact C-N 3.34Å; I57-S59 PolarHBondContact O-N 3.43Å; I57-L60 WeakPolarHBondContact O-CB 3.36Å; I57-L60 PolarHBondContact O-N 3.04Å; I57-E61 HydrophobicContact CG2-CG 4.26Å; I57-E61 WeakPolarHBondContact CG2-OE1 3.42Å; I57-E61 WeakPolarHBondContact O-CG 3.33Å; I57-E61 PolarHBondContact O-N 3.43Å
58	S	57.3	Low	56.2	Low	63 Å²	63	96.6 Å²	96.6	44%	0.441	50%	0.499	S	S	.	.	H	α-helix	trans	-59.7	-40.1	178.2	-65.8	0	0	0	0	113.1	N54 S55 L60 E61 E62	N54-S58 PolarHBondContact O-N 3.12Å; N54-S58 PolarHBondContact O-OG 3.43Å; S55-S58 PolarHBondContact O-N 3Å; S58-L60 VanDerWaalsContact C-N 3.27Å; S58-L60 PolarHBondContact O-N 3.49Å; S58-E61 PolarHBondContact O-N 3.13Å; S58-E62 WeakPolarHBondContact O-CG 3.28Å; S58-E62 PolarHBondContact O-N 3.02Å
59	S	61.6	Low	55.5	Low	68 Å²	68	97.1 Å²	97.1	48%	0.476	51%	0.512	S	S	.	.	H	α-helix	trans	-67.6	-25	175.8	-60.2	0	0	0	0	113.9	S55 I57 A63	S55-S59 PolarHBondContact O-N 3.32Å; S55-S59 VanDerWaalsContact O-N 3.16Å; S55-S59 PolarHBondContact O-OG 3.05Å; I57-S59 VanDerWaalsContact C-N 3.34Å; I57-S59 PolarHBondContact O-N 3.43Å; S59-A63 WeakPolarHBondContact O-CB 3.45Å; S59-A63 PolarHBondContact O-N 3.29Å
60	L	54	Low	55	Low	69 Å²	69	99.3 Å²	99.3	36%	0.361	54%	0.537	S	S	.	.	H	α-helix	trans	-78.5	-37.8	171	-71.6	167.7	0	0	0	111.5	V56 I57 S58 A63 I64 L91	V56-L60 HydrophobicContact CG1-CD1 4.16Å; V56-L60 WeakPolarHBondContact O-CG 3.17Å; V56-L60 PolarHBondContact O-N 3.38Å; V56-L60 VanDerWaalsContact O-N 3.16Å; I57-L60 WeakPolarHBondContact O-CB 3.36Å; I57-L60 PolarHBondContact O-N 3.04Å; S58-L60 VanDerWaalsContact C-N 3.27Å; S58-L60 PolarHBondContact O-N 3.49Å; L60-A63 PolarHBondContact O-N 2.9Å; L60-I64 WeakPolarHBondContact O-CB 3.36Å; L60-I64 WeakPolarHBondContact O-CD1 3.07Å; L60-I64 VanDerWaalsContact O-CG1 3.26Å; L60-I64 WeakPolarHBondContact O-CG1 3.34Å; L60-I64 PolarHBondContact O-N 3.5Å; L60-L91 HydrophobicContact CD2-CD2 4.45Å
61	E	54.9	Low	54.6	Low	113 Å²	113	100 Å²	100	53%	0.528	55%	0.55	S	S	.	.	H	α-helix	trans	-64.8	-42.2	175.7	-70.2	168.6	159.9	0	0	111.6	I57 S58 I64 S65	I57-E61 HydrophobicContact CG2-CG 4.26Å; I57-E61 WeakPolarHBondContact CG2-OE1 3.42Å; I57-E61 WeakPolarHBondContact O-CG 3.33Å; I57-E61 PolarHBondContact O-N 3.43Å; S58-E61 PolarHBondContact O-N 3.13Å; E61-I64 PolarHBondContact O-N 3.09Å; E61-S65 WeakPolarHBondContact O-CB 3.33Å; E61-S65 PolarHBondContact O-N 3.41Å
62	E	63.5	Low	54	Low	124 Å²	124	99 Å²	99	58%	0.579	56%	0.563	S	S	*	*	H	α-helix	trans	-59.6	-46	171.2	-74.1	-177.8	134.5	0	0	111.9	S58 I64 S65 Q66	S58-E62 WeakPolarHBondContact O-CG 3.28Å; S58-E62 PolarHBondContact O-N 3.02Å; E62-I64 PolarHBondContact O-N 3.47Å; E62-S65 PolarHBondContact O-N 2.83Å; E62-Q66 WeakPolarHBondContact O-CG 3.43Å; E62-Q66 PolarHBondContact O-N 2.99Å
63	A	58.4	Low	53.2	Low	50 Å²	50	104.1 Å²	104.1	41%	0.413	59%	0.589	S	S	.	*	H	α-helix	trans	-65	-36.6	179.7	0	0	0	0	0	112.8	S59 L60	S59-A63 WeakPolarHBondContact O-CB 3.45Å; S59-A63 PolarHBondContact O-N 3.29Å; L60-A63 PolarHBondContact O-N 2.9Å
64	I	54.6	Low	52.1	Low	93 Å²	93	105.4 Å²	105.4	48%	0.477	61%	0.609	S	S	.	*	H	α-helix	trans	-69.6	-43.4	174	-69.5	163.7	0	0	0	110.4	L60 E61 E62 Q66 Q67	L60-I64 WeakPolarHBondContact O-CB 3.36Å; L60-I64 WeakPolarHBondContact O-CD1 3.07Å; L60-I64 VanDerWaalsContact O-CG1 3.26Å; L60-I64 WeakPolarHBondContact O-CG1 3.34Å; L60-I64 PolarHBondContact O-N 3.5Å; E61-I64 PolarHBondContact O-N 3.09Å; E62-I64 PolarHBondContact O-N 3.47Å; I64-Q66 VanDerWaalsContact C-N 3.25Å; I64-Q66 PolarHBondContact O-N 3.3Å; I64-Q67 PolarHBondContact O-N 2.95Å
65	S	56.7	Low	51.6	Low	84 Å²	84	110.7 Å²	110.7	59%	0.587	63%	0.631	S	S	*	*	H	α-helix	trans	-64.5	-29.3	179.6	-167.1	0	0	0	0	112.8	E61 E62 Q67	E61-S65 WeakPolarHBondContact O-CB 3.33Å; E61-S65 PolarHBondContact O-N 3.41Å; E62-S65 PolarHBondContact O-N 2.83Å; S65-Q67 VanDerWaalsContact C-N 3.26Å; S65-Q67 PolarHBondContact O-N 3.49Å
66	Q	57.7	Low	50.6	Low	153 Å²	153	110.5 Å²	110.5	72%	0.715	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-12.9	172.9	-72.6	176	17.7	0	0	113.9	E62 I64	E62-Q66 WeakPolarHBondContact O-CG 3.43Å; E62-Q66 PolarHBondContact O-N 2.99Å; I64-Q66 VanDerWaalsContact C-N 3.25Å; I64-Q66 PolarHBondContact O-N 3.3Å
67	Q	53.6	Low	49.2	Very low	171 Å²	171	116.6 Å²	116.6	80%	0.799	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	-1.9	177.1	-70	-168	-27.4	0	0	114.2	I64 S65	I64-Q67 PolarHBondContact O-N 2.95Å; S65-Q67 VanDerWaalsContact C-N 3.26Å; S65-Q67 PolarHBondContact O-N 3.49Å
68	Q	45.7	Very low	48.4	Very low	149 Å²	149	118.8 Å²	118.8	70%	0.696	69%	0.685	S	S	*	*			trans	-112.4	10.9	-171.9	-68.1	-171.8	-4.4	0	0	115.2	P70	Q68-P70 WeakPolarHBondContact O-CD 3.49Å
69	S	40.7	Very low	47.2	Very low	96 Å²	96	121.7 Å²	121.7	67%	0.671	71%	0.705	S	S	*	*			trans	-84.3	115.9	173	56.5	0	0	0	0	111.9
70	P	44.5	Very low	46.3	Very low	126 Å²	126	123.9 Å²	123.9	82%	0.818	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-85.1	129.8	179.7	33.1	-33.1	0	0	0	112.4	Q68	Q68-P70 WeakPolarHBondContact O-CD 3.49Å
71	S	39.8	Very low	45.3	Very low	107 Å²	107	128.2 Å²	128.2	75%	0.748	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-94.7	147.2	162	48	0	0	0	0	110.6
72	P	45.2	Very low	44.8	Very low	127 Å²	127	128.6 Å²	128.6	83%	0.825	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-74.1	157.5	-178.2	30.7	-34.9	0	0	0	112.9
73	L	45.2	Very low	43.6	Very low	178 Å²	178	126 Å²	126	93%	0.932	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-74.2	144.3	-176.3	-68.7	156.2	0	0	0	113.2
74	S	34.7	Very low	42.9	Very low	116 Å²	116	128.1 Å²	128.1	81%	0.811	77%	0.772	S	S	*	*			trans	-139.5	145.5	150.6	61.8	0	0	0	0	109.5
75	E	42.2	Very low	42.6	Very low	201 Å²	201	128.2 Å²	128.2	94%	0.939	78%	0.779	S	S	*	*			trans	-75.2	150.9	-179.6	-56.7	171.4	136.3	0	0	111.2
76	G	36.5	Very low	42.4	Very low	72 Å²	72	126.5 Å²	126.5	74%	0.742	77%	0.77	S	S	*	*			trans	161.1	91.7	172.3	0	0	0	0	0	117.4
77	E	32.5	Very low	41.9	Very low	206 Å²	206	121.2 Å²	121.2	96%	0.963	76%	0.756	S	S	*	*			trans	59.2	-179.7	149.5	-56.4	-161.9	137.3	0	0	120
78	C	38.1	Very low	41.5	Very low	129 Å²	129	119.3 Å²	119.3	87%	0.872	75%	0.751	S	S	*	*			trans	-119.5	122.7	-165	-178.7	0	0	0	0	111.3
79	S	30.7	Very low	41.7	Very low	123 Å²	123	117.8 Å²	117.8	86%	0.86	74%	0.744	S	S	*	*			trans	-155.9	157.6	160.3	58	0	0	0	0	111.1
80	S	43	Very low	42.4	Very low	114 Å²	114	121.1 Å²	121.1	80%	0.797	74%	0.742	S	S	*	*			trans	-101.4	129.2	-178.8	54.7	0	0	0	0	111.7
81	D	33.5	Very low	42.7	Very low	161 Å²	161	119.5 Å²	119.5	86%	0.861	73%	0.726	S	S	*	*			trans	-154.3	171.1	146	-139.5	-28.5	0	0	0	113.1
82	V	44.2	Very low	43.5	Very low	120 Å²	120	117.7 Å²	117.7	73%	0.727	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-88.7	127.1	-159.7	177.5	0	0	0	0	113.7
83	G	37.6	Very low	44.3	Very low	69 Å²	69	116.9 Å²	116.9	71%	0.711	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-68.3	132.9	168.5	0	0	0	0	0	113.1
84	S	44.3	Very low	45	Very low	95 Å²	95	111.4 Å²	111.4	66%	0.664	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-59.1	125.7	-169.6	-176.9	0	0	0	0	114.9	A86	S84-A86 PolarHBondContact O-N 2.86Å
85	P	49.4	Very low	45.8	Very low	95 Å²	95	110.7 Å²	110.7	62%	0.617	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-18.5	177.9	-22.7	33.7	0	0	0	115.3	G87 L88 H89	P85-G87 VanDerWaalsContact C-N 3.27Å; P85-G87 PolarHBondContact O-N 3.2Å; P85-L88 PolarHBondContact O-N 2.84Å; P85-H89 PolarHBondContact O-N 3.42Å
86	A	50.6	Low	46.6	Very low	48 Å²	48	108.9 Å²	108.9	40%	0.397	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.1	-9.2	-164.1	0	0	0	0	0	115.5	S84 R90	S84-A86 PolarHBondContact O-N 2.86Å; A86-R90 PolarHBondContact O-NE 3.29Å; A86-R90 PolarHBondContact O-NH2 3.18Å; A86-R90 VanDerWaalsContact O-NH2 3.1Å
87	G	48	Very low	48.1	Very low	42 Å²	42	107.6 Å²	107.6	43%	0.433	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.5	-52.7	171	0	0	0	0	0	112.1	P85 H89 R90 L91	P85-G87 VanDerWaalsContact C-N 3.27Å; P85-G87 PolarHBondContact O-N 3.2Å; G87-H89 PolarHBondContact O-N 2.78Å; G87-R90 PolarHBondContact O-N 3.32Å; G87-L91 PolarHBondContact O-N 3.49Å; G87-L91 VanDerWaalsContact O-N 3.15Å
88	L	44.6	Very low	49.3	Very low	131 Å²	131	101.7 Å²	101.7	69%	0.686	61%	0.605	S	S	*	*	H	α-helix	trans	-59.5	-42.3	179.7	-90.9	166.1	0	0	0	112.5	P85 R90 L91 V92	P85-L88 PolarHBondContact O-N 2.84Å; L88-R90 PolarHBondContact O-N 3.5Å; L88-L91 PolarHBondContact O-N 2.94Å; L88-V92 WeakPolarHBondContact O-CG2 3.2Å; L88-V92 PolarHBondContact O-N 3.4Å
89	H	51.5	Low	49.8	Very low	118 Å²	118	100.5 Å²	100.5	55%	0.546	59%	0.587	S	S	.	*	H	α-helix	trans	-60.8	-45.1	179.8	-158.6	-72.8	0	0	0	112.2	P85 G87 L91 V92 E93	P85-H89 PolarHBondContact O-N 3.42Å; G87-H89 PolarHBondContact O-N 2.78Å; H89-L91 PolarHBondContact O-N 2.93Å; H89-V92 PolarHBondContact O-N 3.11Å; H89-E93 IonicContact CE1-OE1 3.76Å; H89-E93 IonicContact CE1-OE2 3.53Å; H89-E93 IonicContact ND1-OE1 3.86Å; H89-E93 IonicContact ND1-OE2 2.83Å; H89-E93 PolarHBondContact ND1-OE2 3.04Å; H89-E93 PolarHBondContact O-N 3.32Å
90	R	54.2	Low	51.5	Low	165 Å²	165	96.6 Å²	96.6	62%	0.623	57%	0.566	S	S	*	*	H	α-helix	trans	-66.1	-35	177.7	-81.7	-177.9	-74.5	178.5	-4.2	112.9	A86 G87 L88 S94	A86-R90 PolarHBondContact O-NE 3.29Å; A86-R90 PolarHBondContact O-NH2 3.18Å; A86-R90 VanDerWaalsContact O-NH2 3.1Å; G87-R90 PolarHBondContact O-N 3.32Å; L88-R90 PolarHBondContact O-N 3.5Å; R90-S94 VanDerWaalsContact O-CB 3.31Å; R90-S94 WeakPolarHBondContact O-CB 3.35Å; R90-S94 PolarHBondContact O-N 3.26Å; R90-S94 PolarHBondContact O-OG 3Å
91	L	52.1	Low	52.4	Low	93 Å²	93	95.6 Å²	95.6	49%	0.487	55%	0.549	S	S	.	.	H	α-helix	trans	-64.5	-42.9	171.9	-91.8	164.7	0	0	0	111.7	L60 G87 L88 H89 S94 L95	L60-L91 HydrophobicContact CD2-CD2 4.45Å; G87-L91 PolarHBondContact O-N 3.49Å; G87-L91 VanDerWaalsContact O-N 3.15Å; L88-L91 PolarHBondContact O-N 2.94Å; H89-L91 PolarHBondContact O-N 2.93Å; L91-S94 PolarHBondContact O-N 3Å; L91-L95 WeakPolarHBondContact O-CB 3.48Å; L91-L95 VanDerWaalsContact O-CG 3.29Å; L91-L95 WeakPolarHBondContact O-CG 3.46Å; L91-L95 PolarHBondContact O-N 3.16Å
92	V	55.6	Low	53.3	Low	69 Å²	69	94.9 Å²	94.9	42%	0.418	53%	0.534	S	S	.	.	H	α-helix	trans	-64.8	-46.3	177.3	169.9	0	0	0	0	111.4	L88 H89 S94 L95 Y96	L88-V92 WeakPolarHBondContact O-CG2 3.2Å; L88-V92 PolarHBondContact O-N 3.4Å; H89-V92 PolarHBondContact O-N 3.11Å; V92-S94 PolarHBondContact O-N 2.95Å; V92-L95 PolarHBondContact O-N 2.97Å; V92-Y96 HydrophobicContact CG1-CD2 3.76Å; V92-Y96 HydrophobicContact CG1-CE2 3.69Å; V92-Y96 VanDerWaalsContact O-CD2 3.32Å; V92-Y96 WeakPolarHBondContact O-CD2 3.39Å; V92-Y96 PolarHBondContact O-N 3.4Å
93	E	62	Low	53.9	Low	109 Å²	109	92.7 Å²	92.7	51%	0.509	52%	0.524	S	S	.	.	H	α-helix	trans	-61.2	-42.4	174.8	-72.6	173.4	116	0	0	112.4	H89 L95 Y96 G97	H89-E93 IonicContact CE1-OE1 3.76Å; H89-E93 IonicContact CE1-OE2 3.53Å; H89-E93 IonicContact ND1-OE1 3.86Å; H89-E93 IonicContact ND1-OE2 2.83Å; H89-E93 PolarHBondContact ND1-OE2 3.04Å; H89-E93 PolarHBondContact O-N 3.32Å; E93-L95 VanDerWaalsContact C-N 3.34Å; E93-L95 PolarHBondContact O-N 3.13Å; E93-Y96 PolarHBondContact O-N 2.99Å; E93-G97 PolarHBondContact O-N 3.18Å
94	S	60.5	Low	55.4	Low	64 Å²	64	96.6 Å²	96.6	45%	0.448	52%	0.521	S	S	.	.	H	α-helix	trans	-62	-40.7	175.3	-57.6	0	0	0	0	111.7	R90 L91 V92 G97 L98	R90-S94 VanDerWaalsContact O-CB 3.31Å; R90-S94 WeakPolarHBondContact O-CB 3.35Å; R90-S94 PolarHBondContact O-N 3.26Å; R90-S94 PolarHBondContact O-OG 3Å; L91-S94 PolarHBondContact O-N 3Å; V92-S94 PolarHBondContact O-N 2.95Å; S94-G97 PolarHBondContact O-N 3.18Å; S94-L98 WeakPolarHBondContact O-CB 3.4Å; S94-L98 VanDerWaalsContact O-CG 3.29Å; S94-L98 WeakPolarHBondContact O-CG 3.41Å; S94-L98 PolarHBondContact O-N 3Å
95	L	50.9	Low	56.1	Low	101 Å²	101	94.7 Å²	94.7	53%	0.529	50%	0.504	S	S	.	.	H	α-helix	trans	-65.6	-40.9	175.7	-76.7	166.8	0	0	0	112.1	L91 V92 E93 L98 Q99	L91-L95 WeakPolarHBondContact O-CB 3.48Å; L91-L95 VanDerWaalsContact O-CG 3.29Å; L91-L95 WeakPolarHBondContact O-CG 3.46Å; L91-L95 PolarHBondContact O-N 3.16Å; V92-L95 PolarHBondContact O-N 2.97Å; E93-L95 VanDerWaalsContact C-N 3.34Å; E93-L95 PolarHBondContact O-N 3.13Å; L95-L98 PolarHBondContact O-N 3.26Å; L95-Q99 WeakPolarHBondContact O-CB 3.36Å; L95-Q99 WeakPolarHBondContact O-CG 3.39Å; L95-Q99 PolarHBondContact O-N 3.39Å
96	Y	58.7	Low	56.3	Low	163 Å²	163	97.1 Å²	97.1	64%	0.639	50%	0.501	S	S	*	.	H	α-helix	trans	-64.4	-42.1	173.5	-86.2	-67.5	0	0	0	112.1	V92 E93 Q99 G100	V92-Y96 HydrophobicContact CG1-CD2 3.76Å; V92-Y96 HydrophobicContact CG1-CE2 3.69Å; V92-Y96 VanDerWaalsContact O-CD2 3.32Å; V92-Y96 WeakPolarHBondContact O-CD2 3.39Å; V92-Y96 PolarHBondContact O-N 3.4Å; E93-Y96 PolarHBondContact O-N 2.99Å; Y96-Q99 PolarHBondContact O-N 3.13Å; Y96-G100 PolarHBondContact O-N 2.86Å
97	G	68.1	Low	57.1	Low	44 Å²	44	96.4 Å²	96.4	45%	0.454	50%	0.497	S	S	.	.	H	α-helix	trans	-58.4	-47.6	173.4	0	0	0	0	0	112.4	E93 S94 Q99 G100 E101	E93-G97 PolarHBondContact O-N 3.18Å; S94-G97 PolarHBondContact O-N 3.18Å; G97-Q99 PolarHBondContact O-N 2.93Å; G97-G100 WeakPolarHBondContact O-CA 3.39Å; G97-G100 PolarHBondContact O-N 3.33Å; G97-G100 VanDerWaalsContact O-N 3.15Å; G97-E101 PolarHBondContact O-N 3.17Å
98	L	57.1	Low	58.1	Low	83 Å²	83	98 Å²	98	44%	0.435	49%	0.494	S	S	.	.	H	α-helix	trans	-65.6	-34.3	176.5	-71.5	168.6	0	0	0	112.8	S94 L95 R102	S94-L98 WeakPolarHBondContact O-CB 3.4Å; S94-L98 VanDerWaalsContact O-CG 3.29Å; S94-L98 WeakPolarHBondContact O-CG 3.41Å; S94-L98 PolarHBondContact O-N 3Å; L95-L98 PolarHBondContact O-N 3.26Å; L98-R102 VanDerWaalsContact O-CB 3.28Å; L98-R102 WeakPolarHBondContact O-CB 3.47Å; L98-R102 PolarHBondContact O-N 3.32Å
99	Q	49.2	Very low	58.4	Low	104 Å²	104	97.4 Å²	97.4	49%	0.486	49%	0.491	S	S	.	.	H	α-helix	trans	-67	-37.8	170.6	-75.9	-169.2	16.8	0	0	112.3	L95 Y96 G97 R102 S103	L95-Q99 WeakPolarHBondContact O-CB 3.36Å; L95-Q99 WeakPolarHBondContact O-CG 3.39Å; L95-Q99 PolarHBondContact O-N 3.39Å; Y96-Q99 PolarHBondContact O-N 3.13Å; G97-Q99 PolarHBondContact O-N 2.93Å; Q99-R102 PolarHBondContact O-N 3.4Å; Q99-S103 WeakPolarHBondContact O-CB 3.4Å; Q99-S103 PolarHBondContact O-N 3.42Å; Q99-S103 PolarHBondContact O-OG 3.42Å
100	G	65.6	Low	59	Low	41 Å²	41	100.3 Å²	100.3	42%	0.423	50%	0.497	S	S	.	.	H	α-helix	trans	-60.4	-51.2	172.5	0	0	0	0	0	112	Y96 G97 R102 S103 K104	Y96-G100 PolarHBondContact O-N 2.86Å; G97-G100 WeakPolarHBondContact O-CA 3.39Å; G97-G100 PolarHBondContact O-N 3.33Å; G97-G100 VanDerWaalsContact O-N 3.15Å; G100-R102 PolarHBondContact O-N 2.95Å; G100-S103 PolarHBondContact O-N 2.93Å; G100-K104 PolarHBondContact O-N 2.89Å
101	E	63.7	Low	59.8	Low	93 Å²	93	97.7 Å²	97.7	44%	0.435	50%	0.495	S	S	.	.	H	α-helix	trans	-57.2	-47.2	173.2	-77.3	-138.4	141.5	0	0	112.3	K53 G97 S103 K104 L105	K53-E101 WeakPolarHBondContact CE-OE2 3.43Å; K53-E101 IonicContact NZ-OE2 3.28Å; K53-E101 PolarHBondContact NZ-OE2 3.3Å; G97-E101 PolarHBondContact O-N 3.17Å; E101-S103 PolarHBondContact O-N 3.29Å; E101-K104 PolarHBondContact O-N 3.36Å; E101-L105 WeakPolarHBondContact O-CB 3.36Å; E101-L105 WeakPolarHBondContact O-CG 3.45Å; E101-L105 PolarHBondContact O-N 2.86Å
102	R	52.2	Low	60.4	Low	145 Å²	145	98.4 Å²	98.4	55%	0.547	50%	0.498	S	S	.	.	H	α-helix	trans	-59.9	-35.4	179.3	-168.3	177.4	78.9	161.7	1.2	111.5	L98 Q99 G100 R106	L98-R102 VanDerWaalsContact O-CB 3.28Å; L98-R102 WeakPolarHBondContact O-CB 3.47Å; L98-R102 PolarHBondContact O-N 3.32Å; Q99-R102 PolarHBondContact O-N 3.4Å; G100-R102 PolarHBondContact O-N 2.95Å; R102-R106 WeakPolarHBondContact O-CB 3.38Å; R102-R106 VanDerWaalsContact O-CG 3.31Å; R102-R106 WeakPolarHBondContact O-CG 3.41Å; R102-R106 PolarHBondContact O-N 3.29Å
103	S	56.9	Low	60.6	Low	74 Å²	74	100.8 Å²	100.8	52%	0.517	50%	0.504	S	S	.	.	H	α-helix	trans	-72.7	-41.8	177.1	-58.3	0	0	0	0	111.9	Q99 G100 E101 R106 G107	Q99-S103 WeakPolarHBondContact O-CB 3.4Å; Q99-S103 PolarHBondContact O-N 3.42Å; Q99-S103 PolarHBondContact O-OG 3.42Å; G100-S103 PolarHBondContact O-N 2.93Å; E101-S103 PolarHBondContact O-N 3.29Å; S103-R106 WeakPolarHBondContact O-CB 3.23Å; S103-R106 PolarHBondContact O-N 2.85Å; S103-G107 PolarHBondContact O-N 2.82Å
104	K	68.2	Low	60.9	Low	151 Å²	151	98.4 Å²	98.4	66%	0.657	50%	0.5	S	S	*	.	H	α-helix	trans	-64.1	-44.9	175.3	-167.5	171.7	-178.3	176.5	0	112.1	G100 E101 R106 G107 E108	G100-K104 PolarHBondContact O-N 2.89Å; E101-K104 PolarHBondContact O-N 3.36Å; K104-R106 PolarHBondContact O-N 2.8Å; K104-G107 CarbonylContact O-C 3.56Å; K104-G107 VanDerWaalsContact O-CA 3.32Å; K104-G107 WeakPolarHBondContact O-CA 3.46Å; K104-G107 PolarHBondContact O-N 2.93Å; K104-E108 PolarHBondContact O-N 2.74Å
105	L	59	Low	61.3	Low	56 Å²	56	100 Å²	100	29%	0.293	50%	0.501	S	S	.	.	H	α-helix	trans	-64.8	-35.2	174.1	-70.4	169.1	0	0	0	112.5	E101 G107 E108 L109	E101-L105 WeakPolarHBondContact O-CB 3.36Å; E101-L105 WeakPolarHBondContact O-CG 3.45Å; E101-L105 PolarHBondContact O-N 2.86Å; L105-G107 PolarHBondContact O-N 2.95Å; L105-E108 PolarHBondContact O-N 3.06Å; L105-L109 WeakPolarHBondContact O-CB 3.48Å; L105-L109 PolarHBondContact O-N 3.2Å
106	R	54	Low	61.6	Low	146 Å²	146	99.7 Å²	99.7	55%	0.551	50%	0.499	S	S	*	.	H	α-helix	trans	-67.2	-19.3	168.5	-82.2	179.3	170	-163.7	-3.4	113.4	R102 S103 K104 R110	R102-R106 WeakPolarHBondContact O-CB 3.38Å; R102-R106 VanDerWaalsContact O-CG 3.31Å; R102-R106 WeakPolarHBondContact O-CG 3.41Å; R102-R106 PolarHBondContact O-N 3.29Å; S103-R106 WeakPolarHBondContact O-CB 3.23Å; S103-R106 PolarHBondContact O-N 2.85Å; K104-R106 PolarHBondContact O-N 2.8Å; R106-R110 WeakPolarHBondContact O-CG 3.47Å; R106-R110 PolarHBondContact O-NE 3.36Å
107	G	68.2	Low	62	Low	32 Å²	32	95.7 Å²	95.7	33%	0.33	49%	0.486	S	S	.	.	H	α-helix	trans	-77.6	-54.2	168.6	0	0	0	0	0	111.4	S103 K104 L105 L109 R110 L111	S103-G107 PolarHBondContact O-N 2.82Å; K104-G107 CarbonylContact O-C 3.56Å; K104-G107 VanDerWaalsContact O-CA 3.32Å; K104-G107 WeakPolarHBondContact O-CA 3.46Å; K104-G107 PolarHBondContact O-N 2.93Å; L105-G107 PolarHBondContact O-N 2.95Å; G107-L109 VanDerWaalsContact C-N 3.3Å; G107-L109 PolarHBondContact O-N 3.44Å; G107-R110 PolarHBondContact O-N 3.45Å; G107-R110 VanDerWaalsContact O-N 3.1Å; G107-L111 PolarHBondContact O-N 3.24Å
108	E	67.8	Low	62.1	Low	77 Å²	77	98.9 Å²	98.9	36%	0.36	49%	0.489	S	S	.	.	H	α-helix	trans	-53.8	-44.3	176.7	-72.1	177.1	-156.7	0	0	111.8	R49 K104 L105 L111 L112	R49-E108 IonicContact NH1-OE2 3.44Å; R49-E108 PolarHBondContact NH1-OE2 3.4Å; K104-E108 PolarHBondContact O-N 2.74Å; L105-E108 PolarHBondContact O-N 3.06Å; E108-L111 PolarHBondContact O-N 3.5Å; E108-L112 WeakPolarHBondContact O-CB 3.34Å; E108-L112 PolarHBondContact O-N 2.98Å
109	L	52.1	Low	62.6	Low	118 Å²	118	101.8 Å²	101.8	62%	0.618	50%	0.498	S	S	*	.	H	α-helix	trans	-62.5	-41.8	176.2	-87.7	164.8	0	0	0	113.5	L105 G107 L112 H113	L105-L109 WeakPolarHBondContact O-CB 3.48Å; L105-L109 PolarHBondContact O-N 3.2Å; G107-L109 VanDerWaalsContact C-N 3.3Å; G107-L109 PolarHBondContact O-N 3.44Å; L109-L112 PolarHBondContact O-N 3.47Å; L109-H113 WeakPolarHBondContact O-CB 3.48Å; L109-H113 PolarHBondContact O-N 3.22Å
110	R	63.3	Low	63.1	Low	179 Å²	179	101.6 Å²	101.6	68%	0.675	50%	0.497	S	S	*	.	H	α-helix	trans	-67.3	-38.1	177.9	-83.1	-178.6	-77.2	175.6	-3	111.9	R106 G107 H113 S114	R106-R110 WeakPolarHBondContact O-CG 3.47Å; R106-R110 PolarHBondContact O-NE 3.36Å; G107-R110 PolarHBondContact O-N 3.45Å; G107-R110 VanDerWaalsContact O-N 3.1Å; R110-H113 PolarHBondContact O-N 3.09Å; R110-S114 PolarHBondContact O-N 3.01Å
111	L	71.8	Confident	63.4	Low	110 Å²	110	106.5 Å²	106.5	58%	0.576	50%	0.503	S	S	*	.	H	α-helix	trans	-64.5	-43.6	174.1	-173.7	65.9	0	0	0	111.5	G107 E108 S114 Q115	G107-L111 PolarHBondContact O-N 3.24Å; E108-L111 PolarHBondContact O-N 3.5Å; L111-S114 PolarHBondContact O-N 3.13Å; L111-Q115 WeakPolarHBondContact O-CG 3.32Å; L111-Q115 PolarHBondContact O-N 2.86Å
112	L	62.8	Low	63.7	Low	108 Å²	108	105.3 Å²	105.3	57%	0.565	50%	0.5	S	S	*	.	H	α-helix	trans	-63.6	-37.8	174.9	-98.4	147.5	0	0	0	112.9	E108 L109 Q115 L116	E108-L112 WeakPolarHBondContact O-CB 3.34Å; E108-L112 PolarHBondContact O-N 2.98Å; L109-L112 PolarHBondContact O-N 3.47Å; L112-Q115 PolarHBondContact O-N 3.11Å; L112-L116 WeakPolarHBondContact O-CB 3.19Å; L112-L116 PolarHBondContact O-N 2.99Å
113	H	59.7	Low	64.5	Low	118 Å²	118	104.6 Å²	104.6	55%	0.546	50%	0.497	S	S	.	.	H	α-helix	trans	-65.3	-47.7	175.9	-139.2	76	0	0	0	111.2	L109 R110 Q115 L116 E117	L109-H113 WeakPolarHBondContact O-CB 3.48Å; L109-H113 PolarHBondContact O-N 3.22Å; R110-H113 PolarHBondContact O-N 3.09Å; H113-Q115 VanDerWaalsContact C-N 3.33Å; H113-Q115 PolarHBondContact O-N 2.94Å; H113-L116 WeakPolarHBondContact O-CA 3.46Å; H113-L116 WeakPolarHBondContact O-CB 3.11Å; H113-L116 PolarHBondContact O-N 3.15Å; H113-E117 IonicContact CD2-OE1 2.68Å; H113-E117 PolarHBondContact O-N 2.77Å
114	S	68.8	Low	65.1	Low	59 Å²	59	105.6 Å²	105.6	41%	0.413	49%	0.493	S	S	.	.	H	α-helix	trans	-57.9	-42.8	175	-179.2	0	0	0	0	112.5	R110 L111 L116 E117 Q118	R110-S114 PolarHBondContact O-N 3.01Å; L111-S114 PolarHBondContact O-N 3.13Å; S114-L116 VanDerWaalsContact C-N 3.31Å; S114-L116 PolarHBondContact O-N 3Å; S114-E117 PolarHBondContact O-N 2.78Å; S114-Q118 WeakPolarHBondContact O-CB 3.24Å; S114-Q118 PolarHBondContact O-N 3.43Å
115	Q	68.6	Low	65.6	Low	99 Å²	99	102.2 Å²	102.2	46%	0.463	49%	0.485	S	S	.	.	H	α-helix	trans	-67.3	-26.9	174.6	-72.6	-179.4	10.3	0	0	113.9	L111 L112 H113 K119	L111-Q115 WeakPolarHBondContact O-CG 3.32Å; L111-Q115 PolarHBondContact O-N 2.86Å; L112-Q115 PolarHBondContact O-N 3.11Å; H113-Q115 VanDerWaalsContact C-N 3.33Å; H113-Q115 PolarHBondContact O-N 2.94Å; Q115-K119 WeakPolarHBondContact O-CG 3.22Å; Q115-K119 PolarHBondContact O-N 3.5Å
116	L	58.7	Low	66.2	Low	93 Å²	93	107.3 Å²	107.3	49%	0.487	50%	0.501	S	S	.	.	H	α-helix	trans	-74	-52.9	173.6	-167.9	78	0	0	0	110	L112 H113 S114 Q118 K119 E120	L112-L116 WeakPolarHBondContact O-CB 3.19Å; L112-L116 PolarHBondContact O-N 2.99Å; H113-L116 WeakPolarHBondContact O-CA 3.46Å; H113-L116 WeakPolarHBondContact O-CB 3.11Å; H113-L116 PolarHBondContact O-N 3.15Å; S114-L116 VanDerWaalsContact C-N 3.31Å; S114-L116 PolarHBondContact O-N 3Å; L116-Q118 VanDerWaalsContact C-N 3.29Å; L116-Q118 PolarHBondContact O-N 3.34Å; L116-K119 PolarHBondContact O-N 3.41Å; L116-K119 VanDerWaalsContact O-N 3.09Å; L116-E120 PolarHBondContact O-N 3.3Å
117	E	66.4	Low	66.7	Low	79 Å²	79	103.6 Å²	103.6	37%	0.369	49%	0.491	S	S	.	.	H	α-helix	trans	-54.3	-44.3	177	-73.3	-179.4	-132.7	0	0	111.9	H113 S114 K119 E120 R121	H113-E117 IonicContact CD2-OE1 2.68Å; H113-E117 PolarHBondContact O-N 2.77Å; S114-E117 PolarHBondContact O-N 2.78Å; E117-K119 PolarHBondContact O-N 3.46Å; E117-E120 PolarHBondContact O-N 2.89Å; E117-R121 VanDerWaalsContact O-CG 3.26Å; E117-R121 WeakPolarHBondContact O-CG 3.33Å; E117-R121 PolarHBondContact O-N 3.22Å; E117-R121 IonicContact OE2-CZ 3.25Å; E117-R121 IonicContact OE2-NH2 2.82Å; E117-R121 PolarHBondContact OE2-NH2 3.18Å
118	Q	70.6	Confident	67	Low	111 Å²	111	108 Å²	108	52%	0.519	50%	0.503	S	S	.	.	H	α-helix	trans	-65.4	-39.1	179.4	-171.1	161.8	-1.9	0	0	112	S114 L116 E120 R121 D122	S114-Q118 WeakPolarHBondContact O-CB 3.24Å; S114-Q118 PolarHBondContact O-N 3.43Å; L116-Q118 VanDerWaalsContact C-N 3.29Å; L116-Q118 PolarHBondContact O-N 3.34Å; Q118-E120 VanDerWaalsContact C-N 3.31Å; Q118-E120 PolarHBondContact O-N 3.4Å; Q118-R121 PolarHBondContact O-N 2.91Å; Q118-D122 WeakPolarHBondContact O-CB 3.32Å; Q118-D122 VanDerWaalsContact O-CG 3.24Å; Q118-D122 PolarHBondContact O-N 2.89Å
119	K	67.1	Low	67.4	Low	144 Å²	144	106.8 Å²	106.8	63%	0.626	51%	0.506	S	S	*	.	H	α-helix	trans	-67	-30.8	172.6	-76.4	175.7	-179.8	172.4	0	113.1	Q115 L116 E117 R123	Q115-K119 WeakPolarHBondContact O-CG 3.22Å; Q115-K119 PolarHBondContact O-N 3.5Å; L116-K119 PolarHBondContact O-N 3.41Å; L116-K119 VanDerWaalsContact O-N 3.09Å; E117-K119 PolarHBondContact O-N 3.46Å; K119-R123 WeakPolarHBondContact O-CB 3.26Å; K119-R123 PolarHBondContact O-N 3.29Å
120	E	60.4	Low	68.3	Low	100 Å²	100	106.3 Å²	106.3	47%	0.467	50%	0.499	S	S	.	.	H	α-helix	trans	-71.3	-41.6	172.8	-71.2	-172.6	167.9	0	0	111.3	L116 E117 Q118 R123 H124	L116-E120 PolarHBondContact O-N 3.3Å; E117-E120 PolarHBondContact O-N 2.89Å; Q118-E120 VanDerWaalsContact C-N 3.31Å; Q118-E120 PolarHBondContact O-N 3.4Å; E120-R123 WeakPolarHBondContact O-CB 3.44Å; E120-R123 PolarHBondContact O-N 3.01Å; E120-R123 VanDerWaalsContact O-N 3.13Å; E120-H124 PolarHBondContact O-N 3.22Å; E120-H124 PolarHBondContact O-ND1 3.44Å
121	R	71.4	Confident	68.6	Low	144 Å²	144	102.4 Å²	102.4	54%	0.543	49%	0.488	S	S	.	.	H	α-helix	trans	-59.4	-48.2	172.5	-65	168	-152.4	178.3	5	111	E117 Q118 R123 H124 T125	E117-R121 VanDerWaalsContact O-CG 3.26Å; E117-R121 WeakPolarHBondContact O-CG 3.33Å; E117-R121 PolarHBondContact O-N 3.22Å; E117-R121 IonicContact OE2-CZ 3.25Å; E117-R121 IonicContact OE2-NH2 2.82Å; E117-R121 PolarHBondContact OE2-NH2 3.18Å; Q118-R121 PolarHBondContact O-N 2.91Å; R121-R123 PolarHBondContact O-N 3.18Å; R121-H124 PolarHBondContact O-N 3.26Å; R121-H124 VanDerWaalsContact O-N 3.11Å; R121-T125 PolarHBondContact O-N 2.91Å; R121-T125 PolarHBondContact O-OG1 3.49Å
122	D	70.7	Confident	69	Low	69 Å²	69	103 Å²	103	37%	0.369	49%	0.488	S	S	.	.	H	α-helix	trans	-59	-27.9	174.3	-71.5	-10.7	0	0	0	113.3	Q118 T125 R126	Q118-D122 WeakPolarHBondContact O-CB 3.32Å; Q118-D122 VanDerWaalsContact O-CG 3.24Å; Q118-D122 PolarHBondContact O-N 2.89Å; D122-T125 PolarHBondContact O-OG1 3.05Å; D122-R126 VanDerWaalsContact O-CD 3.3Å; D122-R126 WeakPolarHBondContact O-CD 3.38Å; D122-R126 WeakPolarHBondContact O-CG 3.46Å; D122-R126 PolarHBondContact O-NE 3.22Å
123	R	68.3	Low	69.8	Low	130 Å²	130	102.8 Å²	102.8	49%	0.491	48%	0.484	S	S	.	.	H	α-helix	trans	-77.9	-42.6	174.9	-164.8	-169.5	72.5	135.3	3.9	111.3	K119 E120 R121 R126 I127	K119-R123 WeakPolarHBondContact O-CB 3.26Å; K119-R123 PolarHBondContact O-N 3.29Å; E120-R123 WeakPolarHBondContact O-CB 3.44Å; E120-R123 PolarHBondContact O-N 3.01Å; E120-R123 VanDerWaalsContact O-N 3.13Å; R121-R123 PolarHBondContact O-N 3.18Å; R123-R126 PolarHBondContact O-N 3.23Å; R123-I127 HydrophobicContact CG-CD1 4.04Å; R123-I127 VanDerWaalsContact O-CG1 3.29Å; R123-I127 WeakPolarHBondContact O-CG1 3.45Å; R123-I127 PolarHBondContact O-N 3.41Å
124	H	69.9	Low	70.1	Confident	94 Å²	94	98.3 Å²	98.3	44%	0.435	46%	0.464	S	S	.	.	H	α-helix	trans	-66.9	-41	-179.8	-70	102.1	0	0	0	112.1	E120 R121 R126 I127 Q128	E120-H124 PolarHBondContact O-N 3.22Å; E120-H124 PolarHBondContact O-ND1 3.44Å; R121-H124 PolarHBondContact O-N 3.26Å; R121-H124 VanDerWaalsContact O-N 3.11Å; H124-R126 VanDerWaalsContact C-N 3.34Å; H124-R126 PolarHBondContact O-N 2.89Å; H124-I127 PolarHBondContact O-N 3.49Å; H124-Q128 WeakPolarHBondContact O-CG 3.44Å; H124-Q128 PolarHBondContact O-N 3.48Å
125	T	76.9	Confident	70.5	Confident	80 Å²	80	99.5 Å²	99.5	49%	0.491	47%	0.466	S	S	.	.	H	α-helix	trans	-63.1	-38.5	175.3	51.3	0	0	0	0	112.5	R121 D122 Q128 A129	R121-T125 PolarHBondContact O-N 2.91Å; R121-T125 PolarHBondContact O-OG1 3.49Å; D122-T125 PolarHBondContact O-OG1 3.05Å; T125-Q128 PolarHBondContact O-N 2.9Å; T125-A129 WeakPolarHBondContact O-CB 3.32Å; T125-A129 PolarHBondContact O-N 3.38Å
126	R	71.9	Confident	71	Confident	164 Å²	164	99.7 Å²	99.7	62%	0.619	47%	0.467	S	S	*	.	H	α-helix	trans	-67.1	-38.1	173.5	-69.4	172.5	-164.1	-162.3	3.3	112.8	D122 R123 H124 A129 F130	D122-R126 VanDerWaalsContact O-CD 3.3Å; D122-R126 WeakPolarHBondContact O-CD 3.38Å; D122-R126 WeakPolarHBondContact O-CG 3.46Å; D122-R126 PolarHBondContact O-NE 3.22Å; R123-R126 PolarHBondContact O-N 3.23Å; H124-R126 VanDerWaalsContact C-N 3.34Å; H124-R126 PolarHBondContact O-N 2.89Å; R126-A129 PolarHBondContact O-N 3.03Å; R126-F130 WeakPolarHBondContact O-CD2 3.42Å; R126-F130 PolarHBondContact O-N 2.93Å
127	I	65.8	Low	71.7	Confident	68 Å²	68	97.9 Å²	97.9	35%	0.349	46%	0.457	S	S	.	.	H	α-helix	trans	-63.7	-45.4	174.7	-71.8	165.1	0	0	0	110.1	R123 H124 A129 F130 Q131	R123-I127 HydrophobicContact CG-CD1 4.04Å; R123-I127 VanDerWaalsContact O-CG1 3.29Å; R123-I127 WeakPolarHBondContact O-CG1 3.45Å; R123-I127 PolarHBondContact O-N 3.41Å; H124-I127 PolarHBondContact O-N 3.49Å; I127-A129 PolarHBondContact O-N 3.45Å; I127-F130 PolarHBondContact O-N 2.89Å; I127-Q131 WeakPolarHBondContact O-CG 3.32Å; I127-Q131 PolarHBondContact O-N 2.87Å
128	Q	74.6	Confident	72	Confident	125 Å²	125	98 Å²	98	58%	0.584	46%	0.457	S	S	*	.	H	α-helix	trans	-60.8	-43.9	175.5	-73.1	176.4	-50.4	0	0	112.3	H124 T125 F130 Q131 Q132	H124-Q128 WeakPolarHBondContact O-CG 3.44Å; H124-Q128 PolarHBondContact O-N 3.48Å; T125-Q128 PolarHBondContact O-N 2.9Å; Q128-F130 PolarHBondContact O-N 2.93Å; Q128-Q131 PolarHBondContact O-N 2.96Å; Q128-Q132 WeakPolarHBondContact O-CB 3.45Å; Q128-Q132 PolarHBondContact O-N 2.93Å
129	A	75	Confident	72.4	Confident	50 Å²	50	95.6 Å²	95.6	41%	0.413	45%	0.452	S	S	.	.	H	α-helix	trans	-60.4	-41.8	176.3	0	0	0	0	0	112.7	T125 R126 I127 Q132 Q133	T125-A129 WeakPolarHBondContact O-CB 3.32Å; T125-A129 PolarHBondContact O-N 3.38Å; R126-A129 PolarHBondContact O-N 3.03Å; I127-A129 PolarHBondContact O-N 3.45Å; A129-Q132 PolarHBondContact O-N 2.93Å; A129-Q133 WeakPolarHBondContact O-CG 3.31Å; A129-Q133 PolarHBondContact O-N 3.46Å
130	F	70.6	Confident	72.9	Confident	108 Å²	108	91.3 Å²	91.3	47%	0.474	44%	0.439	S	S	.	.	H	α-helix	trans	-70	-34	174.9	-71.1	-50.5	0	0	0	113.2	R126 I127 Q128 I134	R126-F130 WeakPolarHBondContact O-CD2 3.42Å; R126-F130 PolarHBondContact O-N 2.93Å; I127-F130 PolarHBondContact O-N 2.89Å; Q128-F130 PolarHBondContact O-N 2.93Å; F130-I134 WeakPolarHBondContact O-CB 3.5Å; F130-I134 WeakPolarHBondContact O-CD1 3.47Å; F130-I134 VanDerWaalsContact O-CG1 3.26Å; F130-I134 WeakPolarHBondContact O-CG1 3.27Å; F130-I134 PolarHBondContact O-N 3.46Å
131	Q	71.3	Confident	73.4	Confident	98 Å²	98	87.3 Å²	87.3	46%	0.458	42%	0.421	S	S	.	.	H	α-helix	trans	-65.5	-44.4	173.3	-72.2	-179.9	-88.3	0	0	111	I127 Q128 Q133 I134 D135	I127-Q131 WeakPolarHBondContact O-CG 3.32Å; I127-Q131 PolarHBondContact O-N 2.87Å; Q128-Q131 PolarHBondContact O-N 2.96Å; Q131-Q133 PolarHBondContact O-N 2.91Å; Q131-I134 PolarHBondContact O-N 3.42Å; Q131-I134 VanDerWaalsContact O-N 3.12Å; Q131-D135 PolarHBondContact O-N 3.28Å
132	Q	80.2	Confident	73.7	Confident	121 Å²	121	86.4 Å²	86.4	57%	0.565	42%	0.423	S	S	*	.	H	α-helix	trans	-59	-46.8	175.7	-174.5	179.7	-23.7	0	0	111.6	Q128 A129 I134 D135 E136	Q128-Q132 WeakPolarHBondContact O-CB 3.45Å; Q128-Q132 PolarHBondContact O-N 2.93Å; A129-Q132 PolarHBondContact O-N 2.93Å; Q132-I134 VanDerWaalsContact C-N 3.3Å; Q132-I134 PolarHBondContact O-N 3.43Å; Q132-D135 PolarHBondContact O-N 3Å; Q132-E136 HydrophobicContact CG-CG 4.46Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.39Å; Q132-E136 PolarHBondContact NE2-OE1 3.5Å; Q132-E136 WeakPolarHBondContact O-CB 3.3Å; Q132-E136 VanDerWaalsContact O-CG 3.31Å; Q132-E136 WeakPolarHBondContact O-CG 3.32Å; Q132-E136 PolarHBondContact O-N 2.98Å
133	Q	78.1	Confident	74	Confident	104 Å²	104	88.9 Å²	88.9	49%	0.486	43%	0.432	S	S	.	.	H	α-helix	trans	-60.9	-35.6	174.6	-74.6	-176.6	-31.8	0	0	113.4	A129 Q131 L137	A129-Q133 WeakPolarHBondContact O-CG 3.31Å; A129-Q133 PolarHBondContact O-N 3.46Å; Q131-Q133 PolarHBondContact O-N 2.91Å; Q133-L137 WeakPolarHBondContact O-CB 3.27Å; Q133-L137 VanDerWaalsContact O-CG 3.24Å; Q133-L137 WeakPolarHBondContact O-CG 3.33Å; Q133-L137 PolarHBondContact O-N 2.84Å
134	I	67.7	Low	74	Confident	24 Å²	24	87.3 Å²	87.3	12%	0.123	43%	0.426	C	S	.	.	H	α-helix	trans	-68.8	-38.4	176.1	-76.1	166.6	0	0	0	111.2	F130 Q131 Q132 L137 K138 L185	F130-I134 WeakPolarHBondContact O-CB 3.5Å; F130-I134 WeakPolarHBondContact O-CD1 3.47Å; F130-I134 VanDerWaalsContact O-CG1 3.26Å; F130-I134 WeakPolarHBondContact O-CG1 3.27Å; F130-I134 PolarHBondContact O-N 3.46Å; Q131-I134 PolarHBondContact O-N 3.42Å; Q131-I134 VanDerWaalsContact O-N 3.12Å; Q132-I134 VanDerWaalsContact C-N 3.3Å; Q132-I134 PolarHBondContact O-N 3.43Å; I134-L137 PolarHBondContact O-N 3.39Å; I134-K138 WeakPolarHBondContact O-CG 3.46Å; I134-K138 PolarHBondContact O-N 2.95Å; I134-L185 HydrophobicContact CD1-CD1 3.61Å
135	D	76.4	Confident	73.9	Confident	84 Å²	84	86.8 Å²	86.8	45%	0.449	42%	0.424	S	S	.	.	H	α-helix	trans	-76.8	-35.2	-179.8	-64.9	-28.5	0	0	0	111.8	Q131 Q132 K138 S139	Q131-D135 PolarHBondContact O-N 3.28Å; Q132-D135 PolarHBondContact O-N 3Å; D135-K138 PolarHBondContact O-N 3.33Å; D135-K138 IonicContact OD1-NZ 2.6Å; D135-K138 PolarHBondContact OD1-NZ 2.93Å; D135-S139 PolarHBondContact O-N 3.41Å; D135-S139 VanDerWaalsContact O-N 3.07Å
136	E	78.4	Confident	73.9	Confident	103 Å²	103	88.1 Å²	88.1	48%	0.481	43%	0.425	S	S	.	.	H	α-helix	trans	-58.8	-45.2	166.6	-73.4	166.8	-175.6	0	0	111.5	Q132 S139 C140	Q132-E136 HydrophobicContact CG-CG 4.46Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.39Å; Q132-E136 PolarHBondContact NE2-OE1 3.5Å; Q132-E136 WeakPolarHBondContact O-CB 3.3Å; Q132-E136 VanDerWaalsContact O-CG 3.31Å; Q132-E136 WeakPolarHBondContact O-CG 3.32Å; Q132-E136 PolarHBondContact O-N 2.98Å; E136-S139 PolarHBondContact O-N 3.07Å; E136-C140 WeakPolarHBondContact O-CB 3.48Å; E136-C140 PolarHBondContact O-N 3.03Å; E136-C140 VanDerWaalsContact O-N 3.08Å
137	L	73.1	Confident	73.8	Confident	56 Å²	56	82.9 Å²	82.9	29%	0.293	41%	0.407	S	S	.	.	H	α-helix	trans	-65.1	-37.3	176.5	-78.5	169.1	0	0	0	113.1	Q133 I134 C140 I141 L174	Q133-L137 WeakPolarHBondContact O-CB 3.27Å; Q133-L137 VanDerWaalsContact O-CG 3.24Å; Q133-L137 WeakPolarHBondContact O-CG 3.33Å; Q133-L137 PolarHBondContact O-N 2.84Å; I134-L137 PolarHBondContact O-N 3.39Å; L137-C140 PolarHBondContact O-N 2.88Å; L137-I141 WeakPolarHBondContact O-CG1 3.24Å; L137-I141 PolarHBondContact O-N 2.88Å; L137-L174 HydrophobicContact CD2-CD2 4.41Å
138	K	74.4	Confident	73.6	Confident	82 Å²	82	80 Å²	80	36%	0.357	39%	0.393	S	S	.	.	H	α-helix	trans	-62.3	-50.7	173.8	-72.6	168.5	-166.1	161.1	0	111.5	I134 D135 C140 I141 E142	I134-K138 WeakPolarHBondContact O-CG 3.46Å; I134-K138 PolarHBondContact O-N 2.95Å; D135-K138 PolarHBondContact O-N 3.33Å; D135-K138 IonicContact OD1-NZ 2.6Å; D135-K138 PolarHBondContact OD1-NZ 2.93Å; K138-C140 PolarHBondContact O-N 3.46Å; K138-I141 WeakPolarHBondContact O-CA 3.44Å; K138-I141 WeakPolarHBondContact O-CB 3.5Å; K138-I141 PolarHBondContact O-N 3.23Å; K138-E142 WeakPolarHBondContact O-CG 3.22Å; K138-E142 PolarHBondContact O-N 3.38Å
139	S	79	Confident	73.3	Confident	60 Å²	60	77.2 Å²	77.2	42%	0.42	39%	0.387	S	S	.	.	H	α-helix	trans	-57.8	-39.2	179.6	-165.2	0	0	0	0	111.4	D135 E136 E142 E143	D135-S139 PolarHBondContact O-N 3.41Å; D135-S139 VanDerWaalsContact O-N 3.07Å; E136-S139 PolarHBondContact O-N 3.07Å; S139-E142 PolarHBondContact O-N 2.84Å; S139-E143 WeakPolarHBondContact O-CG 3.39Å; S139-E143 PolarHBondContact O-N 2.69Å
140	C	77.3	Confident	73.1	Confident	53 Å²	53	82.7 Å²	82.7	36%	0.358	40%	0.397	S	S	.	.	H	α-helix	trans	-69.5	-30.7	176.6	-161.8	0	0	0	0	113.1	E136 L137 K138 R144	E136-C140 WeakPolarHBondContact O-CB 3.48Å; E136-C140 PolarHBondContact O-N 3.03Å; E136-C140 VanDerWaalsContact O-N 3.08Å; L137-C140 PolarHBondContact O-N 2.88Å; K138-C140 PolarHBondContact O-N 3.46Å; C140-R144 VanDerWaalsContact O-CG 3.24Å; C140-R144 WeakPolarHBondContact O-CG 3.44Å
141	I	70.9	Confident	72.7	Confident	17 Å²	17	79.8 Å²	79.8	9%	0.087	39%	0.386	C	S	.	.	H	α-helix	trans	-72	-46.2	170.9	-69.4	164.4	0	0	0	110.3	L137 K138 E143 R144 E145 L174 L178	L137-I141 WeakPolarHBondContact O-CG1 3.24Å; L137-I141 PolarHBondContact O-N 2.88Å; K138-I141 WeakPolarHBondContact O-CA 3.44Å; K138-I141 WeakPolarHBondContact O-CB 3.5Å; K138-I141 PolarHBondContact O-N 3.23Å; I141-E143 PolarHBondContact O-N 2.97Å; I141-R144 CarbonylContact O-C 3.58Å; I141-R144 PolarHBondContact O-N 3.12Å; I141-E145 HydrophobicContact CG2-CG 4.2Å; I141-E145 PolarHBondContact O-N 2.71Å; I141-L174 HydrophobicContact CD1-CB 4.31Å; I141-L174 HydrophobicContact CG1-CB 4.28Å; I141-L174 HydrophobicContact CG1-CD1 4.34Å; I141-L178 HydrophobicContact CD1-CD2 4.28Å
142	E	76.6	Confident	72.2	Confident	124 Å²	124	83.3 Å²	83.3	58%	0.579	40%	0.395	S	S	*	.	H	α-helix	trans	-59.7	-45.6	-179.2	-72	169.5	-173.3	0	0	111.7	K138 S139 R144 E145 E146	K138-E142 WeakPolarHBondContact O-CG 3.22Å; K138-E142 PolarHBondContact O-N 3.38Å; S139-E142 PolarHBondContact O-N 2.84Å; E142-R144 VanDerWaalsContact C-N 3.26Å; E142-R144 PolarHBondContact O-N 3.43Å; E142-E145 PolarHBondContact O-N 3.19Å; E142-E146 PolarHBondContact O-N 3.28Å
143	E	77.6	Confident	71.5	Confident	122 Å²	122	83.3 Å²	83.3	57%	0.57	40%	0.404	S	S	*	.	H	α-helix	trans	-57.1	-35.6	172.9	-77.3	-173.7	169.8	0	0	113.3	S139 I141 E147	S139-E143 WeakPolarHBondContact O-CG 3.39Å; S139-E143 PolarHBondContact O-N 2.69Å; I141-E143 PolarHBondContact O-N 2.97Å; E143-E147 PolarHBondContact O-N 2.97Å
144	R	68	Low	70.4	Confident	96 Å²	96	81.3 Å²	81.3	36%	0.362	41%	0.405	S	S	.	.	H	α-helix	trans	-88.7	-25.2	-176.9	-61.2	-60	171.3	92.2	6.2	113.5	C140 I141 E142 E146 E147 L148	C140-R144 VanDerWaalsContact O-CG 3.24Å; C140-R144 WeakPolarHBondContact O-CG 3.44Å; I141-R144 CarbonylContact O-C 3.58Å; I141-R144 PolarHBondContact O-N 3.12Å; E142-R144 VanDerWaalsContact C-N 3.26Å; E142-R144 PolarHBondContact O-N 3.43Å; R144-E146 VanDerWaalsContact C-N 3.32Å; R144-E147 VanDerWaalsContact CD-OE2 3.23Å; R144-E147 WeakPolarHBondContact CD-OE2 3.22Å; R144-E147 IonicContact NE-OE2 3.72Å; R144-E147 PolarHBondContact O-N 3.35Å; R144-L148 VanDerWaalsContact O-CB 3.27Å; R144-L148 WeakPolarHBondContact O-CB 3.47Å; R144-L148 WeakPolarHBondContact O-CG 3.39Å; R144-L148 PolarHBondContact O-N 2.87Å
145	E	67.9	Low	69.3	Low	83 Å²	83	85.6 Å²	85.6	39%	0.388	44%	0.444	S	S	.	.	H	α-helix	trans	-70.4	-31.3	165.4	-67.8	-162.7	147.4	0	0	110.9	I141 E142 S149 K175	I141-E145 HydrophobicContact CG2-CG 4.2Å; I141-E145 PolarHBondContact O-N 2.71Å; E142-E145 PolarHBondContact O-N 3.19Å; E145-S149 VanDerWaalsContact O-CB 3.31Å; E145-S149 WeakPolarHBondContact O-CB 3.49Å; E145-S149 PolarHBondContact O-N 3.06Å; E145-S149 PolarHBondContact O-OG 2.87Å; E145-K175 WeakPolarHBondContact OE1-CE 3.4Å; E145-K175 IonicContact OE1-NZ 2.72Å; E145-K175 PolarHBondContact OE1-NZ 3.32Å
146	E	76.1	Confident	68.1	Low	108 Å²	108	84.1 Å²	84.1	51%	0.505	45%	0.448	S	S	.	.	H	α-helix	trans	-65.9	-49.6	164.6	-83.3	-154.1	-149.2	0	0	113.1	E142 R144 L148 S149 R150	E142-E146 PolarHBondContact O-N 3.28Å; R144-E146 VanDerWaalsContact C-N 3.32Å; E146-L148 VanDerWaalsContact C-N 3.33Å; E146-L148 PolarHBondContact O-N 3.45Å; E146-S149 PolarHBondContact O-N 3.01Å; E146-S149 VanDerWaalsContact O-N 3.07Å; E146-R150 WeakPolarHBondContact O-CG 3.36Å; E146-R150 PolarHBondContact O-N 3.49Å; E146-R150 IonicContact OE2-CZ 3.78Å; E146-R150 IonicContact OE2-NE 2.77Å; E146-R150 IonicContact OE2-NH2 2.78Å; E146-R150 PolarHBondContact OE2-NH2 2.8Å
147	E	70.9	Confident	66.5	Low	54 Å²	54	83.1 Å²	83.1	25%	0.252	46%	0.458	S	S	.	.	H	α-helix	trans	-58.1	-45.3	178.1	-167.9	-173.3	169	0	0	111	E143 R144 S149 R150 L151 R163	E143-E147 PolarHBondContact O-N 2.97Å; R144-E147 VanDerWaalsContact CD-OE2 3.23Å; R144-E147 WeakPolarHBondContact CD-OE2 3.22Å; R144-E147 IonicContact NE-OE2 3.72Å; R144-E147 PolarHBondContact O-N 3.35Å; E147-S149 VanDerWaalsContact C-N 3.32Å; E147-S149 PolarHBondContact O-N 2.92Å; E147-R150 PolarHBondContact O-N 3.34Å; E147-L151 HydrophobicContact CG-CD1 4.16Å; E147-L151 WeakPolarHBondContact O-CB 3.49Å; E147-L151 WeakPolarHBondContact O-CG 3.45Å; E147-L151 PolarHBondContact O-N 3.42Å; E147-R163 IonicContact OE1-CZ 3.11Å; E147-R163 IonicContact OE1-NE 3.73Å; E147-R163 IonicContact OE1-NH2 3.42Å; E147-R163 PolarHBondContact OE1-NH2 3.49Å
148	L	61	Low	65.7	Low	9 Å²	9	84.8 Å²	84.8	5%	0.047	47%	0.47	C	S	.	.	H	α-helix	trans	-59.4	-39.4	173.4	-85.4	174.3	0	0	0	112.9	R144 E146 L151 R152 V164 L167	R144-L148 VanDerWaalsContact O-CB 3.27Å; R144-L148 WeakPolarHBondContact O-CB 3.47Å; R144-L148 WeakPolarHBondContact O-CG 3.39Å; R144-L148 PolarHBondContact O-N 2.87Å; E146-L148 VanDerWaalsContact C-N 3.33Å; E146-L148 PolarHBondContact O-N 3.45Å; L148-L151 PolarHBondContact O-N 3.37Å; L148-R152 WeakPolarHBondContact O-CB 3.35Å; L148-R152 VanDerWaalsContact O-CG 3.23Å; L148-R152 WeakPolarHBondContact O-CG 3.29Å; L148-R152 PolarHBondContact O-N 3.09Å; L148-V164 HydrophobicContact CD2-CB 4.23Å; L148-V164 HydrophobicContact CD2-CG1 4.06Å; L148-V164 HydrophobicContact CD2-CG2 4.05Å; L148-L167 HydrophobicContact CD1-CB 4.24Å; L148-L167 HydrophobicContact CD2-CB 3.61Å; L148-L167 HydrophobicContact CD2-CD1 4.02Å; L148-L167 HydrophobicContact CD2-CG 4.49Å; L148-L167 HydrophobicContact CG-CB 3.98Å; L148-L167 HydrophobicContact CG-CD1 4.33Å
149	S	68.8	Low	64.6	Low	65 Å²	65	85.9 Å²	85.9	46%	0.455	48%	0.48	S	S	.	.	H	α-helix	trans	-68.6	-40.1	179	-62.8	0	0	0	0	111.9	E145 E146 E147 R152 T153	E145-S149 VanDerWaalsContact O-CB 3.31Å; E145-S149 WeakPolarHBondContact O-CB 3.49Å; E145-S149 PolarHBondContact O-N 3.06Å; E145-S149 PolarHBondContact O-OG 2.87Å; E146-S149 PolarHBondContact O-N 3.01Å; E146-S149 VanDerWaalsContact O-N 3.07Å; E147-S149 VanDerWaalsContact C-N 3.32Å; E147-S149 PolarHBondContact O-N 2.92Å; S149-R152 PolarHBondContact O-N 3.04Å; S149-T153 PolarHBondContact O-N 3.48Å; S149-T153 PolarHBondContact O-OG1 3.39Å
150	R	69.9	Low	63.4	Low	166 Å²	166	84.8 Å²	84.8	63%	0.626	47%	0.472	S	S	*	.	H	α-helix	trans	-66.1	-39.3	173.7	-63.4	170.9	-166.1	-167.4	6.4	111.9	E146 E147 T153 A154	E146-R150 WeakPolarHBondContact O-CG 3.36Å; E146-R150 PolarHBondContact O-N 3.49Å; E146-R150 IonicContact OE2-CZ 3.78Å; E146-R150 IonicContact OE2-NE 2.77Å; E146-R150 IonicContact OE2-NH2 2.78Å; E146-R150 PolarHBondContact OE2-NH2 2.8Å; E147-R150 PolarHBondContact O-N 3.34Å; R150-T153 PolarHBondContact O-N 3.29Å; R150-T153 PolarHBondContact O-OG1 3.45Å; R150-A154 PolarHBondContact O-N 3.37Å
151	L	62.3	Low	62.4	Low	46 Å²	46	88.2 Å²	88.2	24%	0.241	48%	0.483	C	S	.	.	H	α-helix	trans	-67.8	-35.2	175.5	-72.6	170.2	0	0	0	112.3	E147 L148 T153 A154 V164 L167	E147-L151 HydrophobicContact CG-CD1 4.16Å; E147-L151 WeakPolarHBondContact O-CB 3.49Å; E147-L151 WeakPolarHBondContact O-CG 3.45Å; E147-L151 PolarHBondContact O-N 3.42Å; L148-L151 PolarHBondContact O-N 3.37Å; L151-T153 VanDerWaalsContact C-N 3.32Å; L151-T153 PolarHBondContact O-N 2.94Å; L151-A154 PolarHBondContact O-N 2.92Å; L151-V164 HydrophobicContact CB-CG2 4.11Å; L151-L167 HydrophobicContact CD1-CD1 3.84Å
152	R	61.9	Low	61.7	Low	172 Å²	172	93.6 Å²	93.6	65%	0.649	51%	0.506	S	S	*	.	H	α-helix	trans	-68.1	-25.3	175.7	-77.8	168.3	175.3	171.9	-1	114.1	L148 S149	L148-R152 WeakPolarHBondContact O-CB 3.35Å; L148-R152 VanDerWaalsContact O-CG 3.23Å; L148-R152 WeakPolarHBondContact O-CG 3.29Å; L148-R152 PolarHBondContact O-N 3.09Å; S149-R152 PolarHBondContact O-N 3.04Å
153	T	65.3	Low	61	Low	122 Å²	122	94.4 Å²	94.4	75%	0.748	50%	0.503	S	S	*	.	H	α-helix	trans	-87.4	-9.3	176.2	51.6	0	0	0	0	113.8	S149 R150 L151 A155	S149-T153 PolarHBondContact O-N 3.48Å; S149-T153 PolarHBondContact O-OG1 3.39Å; R150-T153 PolarHBondContact O-N 3.29Å; R150-T153 PolarHBondContact O-OG1 3.45Å; L151-T153 VanDerWaalsContact C-N 3.32Å; L151-T153 PolarHBondContact O-N 2.94Å; T153-A155 PolarHBondContact O-N 2.97Å
154	A	55.1	Low	60.3	Low	62 Å²	62	90 Å²	90	51%	0.512	49%	0.485	S	S	.	.			trans	-87.7	101	178.3	0	0	0	0	0	111.7	R150 L151 G156	R150-A154 PolarHBondContact O-N 3.37Å; L151-A154 PolarHBondContact O-N 2.92Å; A154-G156 PolarHBondContact O-N 3.41Å; A154-G156 VanDerWaalsContact O-N 3.11Å
155	A	45	Very low	59.9	Low	113 Å²	113	91 Å²	91	93%	0.934	50%	0.497	S	S	*	.			trans	-74.6	98	-179.9	0	0	0	0	0	112.5	T153	T153-A155 PolarHBondContact O-N 2.97Å
156	G	50.5	Low	59.7	Low	53 Å²	53	91 Å²	91	55%	0.546	51%	0.505	S	S	.	.			trans	174.7	119	171.9	0	0	0	0	0	116.8	A154 S160	A154-G156 PolarHBondContact O-N 3.41Å; A154-G156 VanDerWaalsContact O-N 3.11Å; G156-S160 PolarHBondContact O-OG 2.94Å
157	A	43.9	Very low	59.1	Low	82 Å²	82	86.3 Å²	86.3	68%	0.678	48%	0.484	S	S	*	.			trans	46.4	94.9	151.3	0	0	0	0	0	120.9	D159	A157-D159 PolarHBondContact O-N 2.94Å
158	T	56.3	Low	58.9	Low	92 Å²	92	85.9 Å²	85.9	56%	0.564	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	-48.7	137.9	52.3	0	0	0	0	121.9	K162	T158-K162 PolarHBondContact O-N 2.81Å
159	D	52.1	Low	59.2	Low	105 Å²	105	88.4 Å²	88.4	56%	0.561	51%	0.509	S	S	*	.	H	α-helix	trans	-84	-24.4	177.6	-90.3	-13.1	0	0	0	111.7	A157 E161 K162 R163	A157-D159 PolarHBondContact O-N 2.94Å; D159-E161 VanDerWaalsContact C-N 3.31Å; D159-K162 PolarHBondContact O-N 2.97Å; D159-K162 IonicContact OD1-NZ 3.78Å; D159-K162 PolarHBondContact OD1-NZ 3.43Å; D159-R163 WeakPolarHBondContact O-CB 3.39Å; D159-R163 PolarHBondContact O-N 3.48Å
160	S	53.3	Low	59.2	Low	36 Å²	36	90.4 Å²	90.4	25%	0.252	51%	0.511	S	S	.	.	H	α-helix	trans	-57.2	-43.3	164.2	47	0	0	0	0	111.4	G156 R163 V164	G156-S160 PolarHBondContact O-OG 2.94Å; S160-R163 PolarHBondContact O-N 3.41Å; S160-V164 WeakPolarHBondContact O-CB 3.44Å; S160-V164 VanDerWaalsContact O-CG2 3.32Å; S160-V164 WeakPolarHBondContact O-CG2 3.22Å; S160-V164 PolarHBondContact O-N 2.9Å
161	E	56.1	Low	59	Low	126 Å²	126	82.9 Å²	82.9	59%	0.589	48%	0.483	S	S	*	.	H	α-helix	trans	-65.8	-43.2	178.6	-61.6	178.7	130.5	0	0	112.4	D159 R163 V164 L165	D159-E161 VanDerWaalsContact C-N 3.31Å; E161-R163 PolarHBondContact O-N 2.91Å; E161-V164 PolarHBondContact O-N 3.47Å; E161-L165 WeakPolarHBondContact O-CB 3.46Å; E161-L165 WeakPolarHBondContact O-CG 3.39Å; E161-L165 PolarHBondContact O-N 3.16Å
162	K	56.8	Low	59.5	Low	129 Å²	129	85.6 Å²	85.6	56%	0.561	49%	0.494	S	S	*	.	H	α-helix	trans	-60.9	-43.5	172.1	-70.3	-177.2	-162	141.8	0	111.9	T158 D159 L165 C166	T158-K162 PolarHBondContact O-N 2.81Å; D159-K162 PolarHBondContact O-N 2.97Å; D159-K162 IonicContact OD1-NZ 3.78Å; D159-K162 PolarHBondContact OD1-NZ 3.43Å; K162-L165 WeakPolarHBondContact O-CB 3.45Å; K162-L165 PolarHBondContact O-N 2.83Å; K162-C166 PolarHBondContact O-N 3.38Å; K162-C166 PolarHBondContact O-SG 2.95Å
163	R	62.5	Low	59.9	Low	141 Å²	141	81 Å²	81	53%	0.532	49%	0.489	S	S	.	.	H	α-helix	trans	-67.1	-37.8	179.6	-172.5	168	171.6	145	-6.4	111.7	E147 D159 S160 E161 C166 L167	E147-R163 IonicContact OE1-CZ 3.11Å; E147-R163 IonicContact OE1-NE 3.73Å; E147-R163 IonicContact OE1-NH2 3.42Å; E147-R163 PolarHBondContact OE1-NH2 3.49Å; D159-R163 WeakPolarHBondContact O-CB 3.39Å; D159-R163 PolarHBondContact O-N 3.48Å; S160-R163 PolarHBondContact O-N 3.41Å; E161-R163 PolarHBondContact O-N 2.91Å; R163-C166 PolarHBondContact O-N 2.94Å; R163-L167 HydrophobicContact CG-CD1 4.07Å; R163-L167 VanDerWaalsContact O-CB 3.32Å; R163-L167 WeakPolarHBondContact O-CB 3.2Å; R163-L167 VanDerWaalsContact O-CG 3.3Å; R163-L167 WeakPolarHBondContact O-CG 3.29Å; R163-L167 PolarHBondContact O-N 3.35Å
164	V	61.6	Low	60.1	Low	31 Å²	31	77.9 Å²	77.9	19%	0.188	47%	0.467	C	S	.	.	H	α-helix	trans	-64.1	-40	171	167.3	0	0	0	0	111.3	L148 L151 S160 E161 S168	L148-V164 HydrophobicContact CD2-CB 4.23Å; L148-V164 HydrophobicContact CD2-CG1 4.06Å; L148-V164 HydrophobicContact CD2-CG2 4.05Å; L151-V164 HydrophobicContact CB-CG2 4.11Å; S160-V164 WeakPolarHBondContact O-CB 3.44Å; S160-V164 VanDerWaalsContact O-CG2 3.32Å; S160-V164 WeakPolarHBondContact O-CG2 3.22Å; S160-V164 PolarHBondContact O-N 2.9Å; E161-V164 PolarHBondContact O-N 3.47Å; V164-S168 VanDerWaalsContact O-CB 3.27Å; V164-S168 WeakPolarHBondContact O-CB 3.33Å; V164-S168 PolarHBondContact O-N 3Å; V164-S168 PolarHBondContact O-OG 2.85Å
165	L	60.3	Low	61	Low	117 Å²	117	78.7 Å²	78.7	61%	0.613	46%	0.459	S	S	*	.	H	α-helix	trans	-63.2	-48.5	173.9	-80.6	165.4	0	0	0	111.9	E161 K162 S168 A169	E161-L165 WeakPolarHBondContact O-CB 3.46Å; E161-L165 WeakPolarHBondContact O-CG 3.39Å; E161-L165 PolarHBondContact O-N 3.16Å; K162-L165 WeakPolarHBondContact O-CB 3.45Å; K162-L165 PolarHBondContact O-N 2.83Å; L165-S168 WeakPolarHBondContact CA-OG 3.41Å; L165-S168 PolarHBondContact O-N 2.88Å; L165-S168 PolarHBondContact O-OG 2.82Å; L165-A169 PolarHBondContact O-N 3.5Å
166	C	64.3	Low	62.4	Low	81 Å²	81	78.9 Å²	78.9	55%	0.547	44%	0.441	S	S	.	.	H	α-helix	trans	-58.3	-50.6	174.8	-70.3	0	0	0	0	112	K162 R163 S168 A169 E170	K162-C166 PolarHBondContact O-N 3.38Å; K162-C166 PolarHBondContact O-SG 2.95Å; R163-C166 PolarHBondContact O-N 2.94Å; C166-S168 PolarHBondContact O-N 2.67Å; C166-A169 PolarHBondContact O-N 2.85Å; C166-A169 VanDerWaalsContact O-N 3.12Å; C166-E170 PolarHBondContact O-N 3.44Å
167	L	62	Low	63.3	Low	11 Å²	11	79 Å²	79	6%	0.058	43%	0.433	C	S	.	.	H	α-helix	trans	-63	-28.4	177.1	-73.2	170.1	0	0	0	112.6	L148 L151 R163 N171	L148-L167 HydrophobicContact CD1-CB 4.24Å; L148-L167 HydrophobicContact CD2-CB 3.61Å; L148-L167 HydrophobicContact CD2-CD1 4.02Å; L148-L167 HydrophobicContact CD2-CG 4.49Å; L148-L167 HydrophobicContact CG-CB 3.98Å; L148-L167 HydrophobicContact CG-CD1 4.33Å; L151-L167 HydrophobicContact CD1-CD1 3.84Å; R163-L167 HydrophobicContact CG-CD1 4.07Å; R163-L167 VanDerWaalsContact O-CB 3.32Å; R163-L167 WeakPolarHBondContact O-CB 3.2Å; R163-L167 VanDerWaalsContact O-CG 3.3Å; R163-L167 WeakPolarHBondContact O-CG 3.29Å; R163-L167 PolarHBondContact O-N 3.35Å; L167-N171 VanDerWaalsContact O-CB 3.29Å; L167-N171 WeakPolarHBondContact O-CB 3.5Å; L167-N171 PolarHBondContact O-N 3.23Å; L167-N171 PolarHBondContact O-ND2 2.9Å
168	S	68.6	Low	64.5	Low	45 Å²	45	76.6 Å²	76.6	32%	0.315	41%	0.409	S	S	.	.	H	α-helix	trans	-72.9	-38.3	173.2	75.9	0	0	0	0	112.6	V164 L165 C166 N171 E172	V164-S168 VanDerWaalsContact O-CB 3.27Å; V164-S168 WeakPolarHBondContact O-CB 3.33Å; V164-S168 PolarHBondContact O-N 3Å; V164-S168 PolarHBondContact O-OG 2.85Å; L165-S168 WeakPolarHBondContact CA-OG 3.41Å; L165-S168 PolarHBondContact O-N 2.88Å; L165-S168 PolarHBondContact O-OG 2.82Å; C166-S168 PolarHBondContact O-N 2.67Å; S168-N171 PolarHBondContact O-N 2.93Å; S168-E172 PolarHBondContact O-N 3.33Å
169	A	67.1	Low	65.5	Low	62 Å²	62	75.9 Å²	75.9	51%	0.512	41%	0.407	S	S	.	.	H	α-helix	trans	-70.5	-37.8	175.5	0	0	0	0	0	112	L165 C166 E172 S173	L165-A169 PolarHBondContact O-N 3.5Å; C166-A169 PolarHBondContact O-N 2.85Å; C166-A169 VanDerWaalsContact O-N 3.12Å; A169-E172 PolarHBondContact O-N 3.28Å; A169-S173 WeakPolarHBondContact O-CB 3.29Å; A169-S173 PolarHBondContact O-N 3.5Å
170	E	68.6	Low	66.6	Low	107 Å²	107	75.2 Å²	75.2	50%	0.5	41%	0.407	S	S	.	.	H	α-helix	trans	-65.3	-40.4	169.9	-72.2	-177.5	162.6	0	0	111.5	C166 S173 L174	C166-E170 PolarHBondContact O-N 3.44Å; E170-S173 WeakPolarHBondContact O-CB 3.3Å; E170-S173 PolarHBondContact O-N 3.42Å; E170-L174 WeakPolarHBondContact O-CB 3.44Å; E170-L174 WeakPolarHBondContact O-CG 3.37Å; E170-L174 PolarHBondContact O-N 2.8Å
171	N	65.3	Low	67.2	Low	8 Å²	8	75.5 Å²	75.5	4%	0.043	41%	0.407	C	S	.	.	H	α-helix	trans	-64.1	-39.3	173.9	-94.6	-85.1	0	0	0	112.8	L167 S168 L174 K175	L167-N171 VanDerWaalsContact O-CB 3.29Å; L167-N171 WeakPolarHBondContact O-CB 3.5Å; L167-N171 PolarHBondContact O-N 3.23Å; L167-N171 PolarHBondContact O-ND2 2.9Å; S168-N171 PolarHBondContact O-N 2.93Å; N171-L174 PolarHBondContact O-N 3.41Å; N171-K175 VanDerWaalsContact O-CB 3.29Å; N171-K175 WeakPolarHBondContact O-CB 3.28Å; N171-K175 WeakPolarHBondContact O-CG 3.48Å; N171-K175 PolarHBondContact O-N 3.27Å
172	E	73	Confident	67.9	Low	103 Å²	103	74.3 Å²	74.3	48%	0.481	40%	0.402	S	S	.	.	H	α-helix	trans	-65.3	-40.1	171.9	-82.4	-59.2	128	0	0	111.9	S168 A169 L174 K175 Q176	S168-E172 PolarHBondContact O-N 3.33Å; A169-E172 PolarHBondContact O-N 3.28Å; E172-L174 PolarHBondContact O-N 2.88Å; E172-K175 PolarHBondContact O-N 3.29Å; E172-Q176 WeakPolarHBondContact O-CB 3.26Å; E172-Q176 WeakPolarHBondContact O-CG 3.22Å; E172-Q176 PolarHBondContact O-N 3.45Å
173	S	70.1	Confident	68.6	Low	76 Å²	76	69.3 Å²	69.3	53%	0.531	39%	0.387	S	S	.	.	H	α-helix	trans	-62.1	-42.6	173.9	-168.6	0	0	0	0	112.2	A169 E170 Q176 S177	A169-S173 WeakPolarHBondContact O-CB 3.29Å; A169-S173 PolarHBondContact O-N 3.5Å; E170-S173 WeakPolarHBondContact O-CB 3.3Å; E170-S173 PolarHBondContact O-N 3.42Å; S173-Q176 PolarHBondContact O-N 2.9Å; S173-S177 WeakPolarHBondContact O-CB 3.38Å; S173-S177 PolarHBondContact O-N 2.96Å
174	L	69.9	Low	68.9	Low	55 Å²	55	67 Å²	67	29%	0.288	38%	0.384	S	S	.	.	H	α-helix	trans	-68.2	-38.2	175.4	-72.6	171.4	0	0	0	112.1	L137 I141 E170 N171 E172 S177 L178	L137-L174 HydrophobicContact CD2-CD2 4.41Å; I141-L174 HydrophobicContact CD1-CB 4.31Å; I141-L174 HydrophobicContact CG1-CB 4.28Å; I141-L174 HydrophobicContact CG1-CD1 4.34Å; E170-L174 WeakPolarHBondContact O-CB 3.44Å; E170-L174 WeakPolarHBondContact O-CG 3.37Å; E170-L174 PolarHBondContact O-N 2.8Å; N171-L174 PolarHBondContact O-N 3.41Å; E172-L174 PolarHBondContact O-N 2.88Å; L174-S177 PolarHBondContact O-N 3.39Å; L174-L178 VanDerWaalsContact O-CB 3.28Å; L174-L178 WeakPolarHBondContact O-CB 3.22Å; L174-L178 PolarHBondContact O-N 3.29Å
175	K	74.1	Confident	68.9	Low	80 Å²	80	69.1 Å²	69.1	35%	0.348	39%	0.394	S	S	.	.	H	α-helix	trans	-67.8	-35.5	174.6	-74.8	167.8	-174.7	179.7	0	111.8	E145 N171 E172 S179	E145-K175 WeakPolarHBondContact OE1-CE 3.4Å; E145-K175 IonicContact OE1-NZ 2.72Å; E145-K175 PolarHBondContact OE1-NZ 3.32Å; N171-K175 VanDerWaalsContact O-CB 3.29Å; N171-K175 WeakPolarHBondContact O-CB 3.28Å; N171-K175 WeakPolarHBondContact O-CG 3.48Å; N171-K175 PolarHBondContact O-N 3.27Å; E172-K175 PolarHBondContact O-N 3.29Å; K175-S179 WeakPolarHBondContact O-CB 3.48Å; K175-S179 PolarHBondContact O-N 2.82Å
176	Q	74	Confident	69	Low	117 Å²	117	70.1 Å²	70.1	55%	0.547	40%	0.396	S	S	.	.	H	α-helix	trans	-67.7	-42.4	170.4	-70.9	168.9	33.9	0	0	111.6	E172 S173 S179 V180	E172-Q176 WeakPolarHBondContact O-CB 3.26Å; E172-Q176 WeakPolarHBondContact O-CG 3.22Å; E172-Q176 PolarHBondContact O-N 3.45Å; S173-Q176 PolarHBondContact O-N 2.9Å; Q176-S179 WeakPolarHBondContact O-CB 3.29Å; Q176-S179 PolarHBondContact O-N 2.89Å; Q176-V180 WeakPolarHBondContact O-CB 3.31Å; Q176-V180 WeakPolarHBondContact O-CG2 3.13Å; Q176-V180 PolarHBondContact O-N 3.32Å
177	S	69.9	Low	68.8	Low	55 Å²	55	72.5 Å²	72.5	39%	0.385	40%	0.399	S	S	.	.	H	α-helix	trans	-62.5	-41.8	173.8	-171.9	0	0	0	0	112.4	S173 L174 V180 T181	S173-S177 WeakPolarHBondContact O-CB 3.38Å; S173-S177 PolarHBondContact O-N 2.96Å; L174-S177 PolarHBondContact O-N 3.39Å; S177-V180 PolarHBondContact O-N 2.99Å; S177-T181 WeakPolarHBondContact O-CB 3.46Å; S177-T181 WeakPolarHBondContact O-CG2 3.46Å; S177-T181 PolarHBondContact O-N 3.49Å; S177-T181 PolarHBondContact O-OG1 3.17Å
178	L	69.3	Low	68.4	Low	32 Å²	32	77 Å²	77	17%	0.168	42%	0.422	C	S	.	.	H	α-helix	trans	-63.5	-42.7	173.3	-170.7	69.9	0	0	0	111	I141 L174 V180 T181 Q182	I141-L178 HydrophobicContact CD1-CD2 4.28Å; L174-L178 VanDerWaalsContact O-CB 3.28Å; L174-L178 WeakPolarHBondContact O-CB 3.22Å; L174-L178 PolarHBondContact O-N 3.29Å; L178-V180 PolarHBondContact O-N 2.84Å; L178-T181 WeakPolarHBondContact CA-OG1 3.35Å; L178-T181 PolarHBondContact O-N 3.28Å; L178-T181 PolarHBondContact O-OG1 3.1Å; L178-T181 VanDerWaalsContact O-OG1 3.07Å; L178-Q182 HydrophobicContact CG-CG 4.48Å; L178-Q182 VanDerWaalsContact O-CB 3.23Å; L178-Q182 WeakPolarHBondContact O-CB 3.23Å; L178-Q182 WeakPolarHBondContact O-CG 3.24Å; L178-Q182 PolarHBondContact O-N 3.37Å
179	S	76.4	Confident	67.6	Low	77 Å²	77	78.5 Å²	78.5	54%	0.538	43%	0.433	S	S	.	.	H	α-helix	trans	-63.5	-39.4	174.5	-175.4	0	0	0	0	112.4	K175 Q176 G183	K175-S179 WeakPolarHBondContact O-CB 3.48Å; K175-S179 PolarHBondContact O-N 2.82Å; Q176-S179 WeakPolarHBondContact O-CB 3.29Å; Q176-S179 PolarHBondContact O-N 2.89Å; S179-G183 PolarHBondContact O-N 2.79Å
180	V	74.6	Confident	66.8	Low	90 Å²	90	77.1 Å²	77.1	55%	0.545	42%	0.421	S	S	.	.	H	α-helix	trans	-69.3	-44	177.4	167.2	0	0	0	0	110.9	Q176 S177 L178 G183 L184	Q176-V180 WeakPolarHBondContact O-CB 3.31Å; Q176-V180 WeakPolarHBondContact O-CG2 3.13Å; Q176-V180 PolarHBondContact O-N 3.32Å; S177-V180 PolarHBondContact O-N 2.99Å; L178-V180 PolarHBondContact O-N 2.84Å; V180-G183 PolarHBondContact O-N 3.39Å; V180-L184 HydrophobicContact CG1-CD1 4.01Å; V180-L184 WeakPolarHBondContact O-CB 3.32Å; V180-L184 VanDerWaalsContact O-CG 3.29Å; V180-L184 WeakPolarHBondContact O-CG 3.5Å; V180-L184 PolarHBondContact O-N 2.59Å
181	T	67.8	Low	66	Low	43 Å²	43	76.9 Å²	76.9	26%	0.264	42%	0.423	S	S	.	.	H	α-helix	trans	-68.7	-40.2	177.5	47.9	0	0	0	0	112.4	S177 L178 L184 L185	S177-T181 WeakPolarHBondContact O-CB 3.46Å; S177-T181 WeakPolarHBondContact O-CG2 3.46Å; S177-T181 PolarHBondContact O-N 3.49Å; S177-T181 PolarHBondContact O-OG1 3.17Å; L178-T181 WeakPolarHBondContact CA-OG1 3.35Å; L178-T181 PolarHBondContact O-N 3.28Å; L178-T181 PolarHBondContact O-OG1 3.1Å; L178-T181 VanDerWaalsContact O-OG1 3.07Å; T181-L184 PolarHBondContact O-N 3.49Å; T181-L185 WeakPolarHBondContact O-CB 3.49Å; T181-L185 PolarHBondContact O-N 3.13Å
182	Q	70.6	Confident	65.2	Low	101 Å²	101	79.2 Å²	79.2	47%	0.472	44%	0.438	S	S	.	.	H	α-helix	trans	-62.1	-41	169.7	-73.8	178.1	9	0	0	111.8	L178 L185 Q186	L178-Q182 HydrophobicContact CG-CG 4.48Å; L178-Q182 VanDerWaalsContact O-CB 3.23Å; L178-Q182 WeakPolarHBondContact O-CB 3.23Å; L178-Q182 WeakPolarHBondContact O-CG 3.24Å; L178-Q182 PolarHBondContact O-N 3.37Å; Q182-L185 PolarHBondContact O-N 3.08Å; Q182-Q186 WeakPolarHBondContact O-CB 3.35Å; Q182-Q186 PolarHBondContact O-N 3.01Å
183	G	70.7	Confident	63.8	Low	24 Å²	24	77.7 Å²	77.7	25%	0.247	44%	0.439	C	S	.	.	H	α-helix	trans	-64.2	-41.3	175.4	0	0	0	0	0	113	S179 V180 Q186 Q187	S179-G183 PolarHBondContact O-N 2.79Å; V180-G183 PolarHBondContact O-N 3.39Å; G183-Q186 PolarHBondContact O-N 3.46Å; G183-Q187 WeakPolarHBondContact O-CG 3.43Å; G183-Q187 PolarHBondContact O-N 2.98Å
184	L	68.2	Low	62.6	Low	91 Å²	91	79.7 Å²	79.7	48%	0.476	44%	0.44	S	S	.	.	H	α-helix	trans	-65.2	-40	172.9	-73.7	167.7	0	0	0	111.7	V180 T181 Q187 L188	V180-L184 HydrophobicContact CG1-CD1 4.01Å; V180-L184 WeakPolarHBondContact O-CB 3.32Å; V180-L184 VanDerWaalsContact O-CG 3.29Å; V180-L184 WeakPolarHBondContact O-CG 3.5Å; V180-L184 PolarHBondContact O-N 2.59Å; T181-L184 PolarHBondContact O-N 3.49Å; L184-Q187 PolarHBondContact O-N 3.33Å; L184-L188 WeakPolarHBondContact O-CB 3.47Å; L184-L188 VanDerWaalsContact O-CG 3.3Å; L184-L188 WeakPolarHBondContact O-CG 3.49Å; L184-L188 PolarHBondContact O-N 2.96Å
185	L	61.9	Low	61.5	Low	76 Å²	76	79.7 Å²	79.7	40%	0.398	45%	0.445	S	S	.	.	H	α-helix	trans	-68.6	-38.6	176.1	-166.9	147.5	0	0	0	111.6	I134 T181 Q182 L188 S189	I134-L185 HydrophobicContact CD1-CD1 3.61Å; T181-L185 WeakPolarHBondContact O-CB 3.49Å; T181-L185 PolarHBondContact O-N 3.13Å; Q182-L185 PolarHBondContact O-N 3.08Å; L185-L188 PolarHBondContact O-N 2.91Å; L185-S189 WeakPolarHBondContact O-CB 3.42Å; L185-S189 PolarHBondContact O-N 2.86Å; L185-S189 PolarHBondContact O-OG 3Å
186	Q	63.1	Low	60.2	Low	139 Å²	139	80.6 Å²	80.6	65%	0.65	45%	0.453	S	S	*	.	H	α-helix	trans	-59.5	-48.8	168.7	-88.3	-170.3	-9	0	0	111.1	Q182 G183 L188 S189 A190	Q182-Q186 WeakPolarHBondContact O-CB 3.35Å; Q182-Q186 PolarHBondContact O-N 3.01Å; G183-Q186 PolarHBondContact O-N 3.46Å; Q186-L188 VanDerWaalsContact C-N 3.33Å; Q186-L188 PolarHBondContact O-N 2.95Å; Q186-S189 WeakPolarHBondContact CA-OG 3.28Å; Q186-S189 CarbonylContact O-C 3.57Å; Q186-S189 WeakPolarHBondContact O-CA 3.32Å; Q186-S189 PolarHBondContact O-N 3.36Å; Q186-S189 PolarHBondContact O-OG 3.01Å; Q186-A190 WeakPolarHBondContact O-CB 3.33Å; Q186-A190 PolarHBondContact O-N 2.92Å
187	Q	58.8	Low	59.1	Low	130 Å²	130	79 Å²	79	61%	0.607	45%	0.451	S	S	*	.	H	α-helix	trans	-59	-42.6	176.4	-73.5	178.4	19.8	0	0	112.1	G183 L184 S189 A190 I191	G183-Q187 WeakPolarHBondContact O-CG 3.43Å; G183-Q187 PolarHBondContact O-N 2.98Å; L184-Q187 PolarHBondContact O-N 3.33Å; Q187-S189 VanDerWaalsContact C-N 3.31Å; Q187-S189 PolarHBondContact O-N 2.6Å; Q187-A190 PolarHBondContact O-N 2.66Å; Q187-I191 WeakPolarHBondContact O-CG1 3.44Å; Q187-I191 PolarHBondContact O-N 3Å; Q187-I191 VanDerWaalsContact O-N 3.1Å
188	L	53.7	Low	58.3	Low	105 Å²	105	82.1 Å²	82.1	55%	0.55	46%	0.461	S	S	.	.	H	α-helix	trans	-62.6	-34.7	174.2	-73.2	166.6	0	0	0	112.7	L184 L185 Q186 P192	L184-L188 WeakPolarHBondContact O-CB 3.47Å; L184-L188 VanDerWaalsContact O-CG 3.3Å; L184-L188 WeakPolarHBondContact O-CG 3.49Å; L184-L188 PolarHBondContact O-N 2.96Å; L185-L188 PolarHBondContact O-N 2.91Å; Q186-L188 VanDerWaalsContact C-N 3.33Å; Q186-L188 PolarHBondContact O-N 2.95Å; L188-P192 WeakPolarHBondContact O-CD 3.43Å
189	S	51.9	Low	57.6	Low	77 Å²	77	84.2 Å²	84.2	54%	0.538	47%	0.472	S	S	.	.	H	α-helix	trans	-78.3	-19.2	174	76.8	0	0	0	0	114.8	L185 Q186 Q187 P192	L185-S189 WeakPolarHBondContact O-CB 3.42Å; L185-S189 PolarHBondContact O-N 2.86Å; L185-S189 PolarHBondContact O-OG 3Å; Q186-S189 WeakPolarHBondContact CA-OG 3.28Å; Q186-S189 CarbonylContact O-C 3.57Å; Q186-S189 WeakPolarHBondContact O-CA 3.32Å; Q186-S189 PolarHBondContact O-N 3.36Å; Q186-S189 PolarHBondContact O-OG 3.01Å; Q187-S189 VanDerWaalsContact C-N 3.31Å; Q187-S189 PolarHBondContact O-N 2.6Å; S189-P192 WeakPolarHBondContact O-CD 3.23Å
190	A	50.5	Low	56.9	Low	33 Å²	33	85 Å²	85	27%	0.273	47%	0.47	S	S	.	.	H	α-helix	trans	-91	-23.1	179.6	0	0	0	0	0	113.2	Q186 Q187 P192 S193 Q194	Q186-A190 WeakPolarHBondContact O-CB 3.33Å; Q186-A190 PolarHBondContact O-N 2.92Å; Q187-A190 PolarHBondContact O-N 2.66Å; A190-P192 VanDerWaalsContact C-CD 3.49Å; A190-S193 PolarHBondContact O-N 3.41Å; A190-S193 PolarHBondContact O-OG 3.05Å; A190-S193 VanDerWaalsContact O-OG 3.06Å; A190-Q194 PolarHBondContact O-N 2.99Å
191	I	52.3	Low	56.5	Low	103 Å²	103	88 Å²	88	53%	0.528	48%	0.475	S	S	.	.	H	α-helix	trans	-53.4	-43.1	173.8	-76.4	165.1	0	0	0	113	Q187 S193 S195	Q187-I191 WeakPolarHBondContact O-CG1 3.44Å; Q187-I191 PolarHBondContact O-N 3Å; Q187-I191 VanDerWaalsContact O-N 3.1Å; I191-S193 PolarHBondContact O-N 2.85Å; I191-S195 WeakPolarHBondContact O-CA 3.49Å; I191-S195 WeakPolarHBondContact O-CB 3.5Å; I191-S195 PolarHBondContact O-N 2.86Å
192	P	48.8	Very low	56.2	Low	56 Å²	56	90.9 Å²	90.9	36%	0.364	49%	0.486	S	S	.	.	H	α-helix	trans	-62.2	-39.2	177.7	-24.1	34.1	0	0	0	114.5	L188 S189 A190 N196	L188-P192 WeakPolarHBondContact O-CD 3.43Å; S189-P192 WeakPolarHBondContact O-CD 3.23Å; A190-P192 VanDerWaalsContact C-CD 3.49Å; P192-N196 WeakPolarHBondContact O-CB 3.36Å; P192-N196 PolarHBondContact O-N 3.46Å; P192-N196 PolarHBondContact O-ND2 3.27Å
193	S	44.3	Very low	55.5	Low	72 Å²	72	90.2 Å²	90.2	50%	0.503	49%	0.485	S	S	.	.	H	α-helix	trans	-80.3	-48	-176	53.9	0	0	0	0	111.5	A190 I191 T197	A190-S193 PolarHBondContact O-N 3.41Å; A190-S193 PolarHBondContact O-OG 3.05Å; A190-S193 VanDerWaalsContact O-OG 3.06Å; I191-S193 PolarHBondContact O-N 2.85Å; S193-T197 PolarHBondContact O-N 2.98Å; S193-T197 PolarHBondContact O-OG1 3.44Å
194	Q	44.4	Very low	55.4	Low	118 Å²	118	94.4 Å²	94.4	55%	0.551	50%	0.499	S	S	*	.	H	α-helix	trans	-69.7	-43.4	177.5	-71.5	-169.5	-6.7	0	0	112.4	A190 N196 T197 M198	A190-Q194 PolarHBondContact O-N 2.99Å; Q194-N196 PolarHBondContact O-N 3.04Å; Q194-T197 PolarHBondContact O-OG1 2.85Å; Q194-M198 VanDerWaalsContact O-CB 3.29Å; Q194-M198 WeakPolarHBondContact O-CB 3.31Å; Q194-M198 VanDerWaalsContact O-CG 3.29Å; Q194-M198 WeakPolarHBondContact O-CG 3.39Å; Q194-M198 PolarHBondContact O-N 3.26Å
195	S	46.6	Very low	55.5	Low	55 Å²	55	94.7 Å²	94.7	39%	0.385	50%	0.501	S	S	.	.	H	α-helix	trans	-70.1	-33.8	-176.8	-164.7	0	0	0	0	112.7	I191 L199	I191-S195 WeakPolarHBondContact O-CA 3.49Å; I191-S195 WeakPolarHBondContact O-CB 3.5Å; I191-S195 PolarHBondContact O-N 2.86Å; S195-L199 VanDerWaalsContact O-CB 3.23Å; S195-L199 WeakPolarHBondContact O-CB 3.48Å; S195-L199 WeakPolarHBondContact O-CD1 3.47Å; S195-L199 WeakPolarHBondContact O-CG 3.42Å; S195-L199 PolarHBondContact O-N 3.31Å
196	N	46.2	Very low	55.6	Low	99 Å²	99	94.5 Å²	94.5	53%	0.529	50%	0.5	S	S	.	.	H	α-helix	trans	-73.8	-42.8	175.7	-77.1	-25.5	0	0	0	112	P192 Q194 M198 L199 I200	P192-N196 WeakPolarHBondContact O-CB 3.36Å; P192-N196 PolarHBondContact O-N 3.46Å; P192-N196 PolarHBondContact O-ND2 3.27Å; Q194-N196 PolarHBondContact O-N 3.04Å; N196-M198 PolarHBondContact O-N 2.78Å; N196-L199 PolarHBondContact O-N 2.82Å; N196-I200 WeakPolarHBondContact O-CB 3.19Å; N196-I200 WeakPolarHBondContact O-CD1 3.23Å; N196-I200 VanDerWaalsContact O-CG1 3.23Å; N196-I200 WeakPolarHBondContact O-CG1 3.1Å; N196-I200 PolarHBondContact O-N 3.41Å
197	T	51.6	Low	55.8	Low	82 Å²	82	97 Å²	97	50%	0.503	50%	0.503	S	S	.	.	H	α-helix	trans	-66.2	-36.5	175.8	50	0	0	0	0	112.6	S193 Q194 K201	S193-T197 PolarHBondContact O-N 2.98Å; S193-T197 PolarHBondContact O-OG1 3.44Å; Q194-T197 PolarHBondContact O-OG1 2.85Å; T197-K201 WeakPolarHBondContact O-CB 3.38Å; T197-K201 WeakPolarHBondContact O-CG 3.28Å; T197-K201 PolarHBondContact O-N 3.22Å
198	M	52.4	Low	56.6	Low	121 Å²	121	92.2 Å²	92.2	60%	0.596	49%	0.489	S	S	*	.	H	α-helix	trans	-65.8	-42.5	169.5	-73.4	-170.8	-161	0	0	112.2	Q194 N196 K201 E202	Q194-M198 VanDerWaalsContact O-CB 3.29Å; Q194-M198 WeakPolarHBondContact O-CB 3.31Å; Q194-M198 VanDerWaalsContact O-CG 3.29Å; Q194-M198 WeakPolarHBondContact O-CG 3.39Å; Q194-M198 PolarHBondContact O-N 3.26Å; N196-M198 PolarHBondContact O-N 2.78Å; M198-K201 PolarHBondContact O-N 3.3Å; M198-E202 WeakPolarHBondContact O-CB 3.4Å; M198-E202 PolarHBondContact O-N 2.87Å
199	L	55.2	Low	57.4	Low	76 Å²	76	93.9 Å²	93.9	40%	0.398	49%	0.488	S	S	.	.	H	α-helix	trans	-69.6	-31.1	178.4	-76.7	168.9	0	0	0	112.8	S195 N196 N203	S195-L199 VanDerWaalsContact O-CB 3.23Å; S195-L199 WeakPolarHBondContact O-CB 3.48Å; S195-L199 WeakPolarHBondContact O-CD1 3.47Å; S195-L199 WeakPolarHBondContact O-CG 3.42Å; S195-L199 PolarHBondContact O-N 3.31Å; N196-L199 PolarHBondContact O-N 2.82Å; L199-N203 WeakPolarHBondContact O-CB 3.33Å; L199-N203 PolarHBondContact O-N 2.85Å; L199-N203 PolarHBondContact O-ND2 3.39Å
200	I	61.9	Low	57.9	Low	94 Å²	94	93.6 Å²	93.6	48%	0.482	48%	0.483	S	S	.	.	H	α-helix	trans	-68	-53.8	172.3	-70.2	163.5	0	0	0	109.2	N196 E202 N203 E204	N196-I200 WeakPolarHBondContact O-CB 3.19Å; N196-I200 WeakPolarHBondContact O-CD1 3.23Å; N196-I200 VanDerWaalsContact O-CG1 3.23Å; N196-I200 WeakPolarHBondContact O-CG1 3.1Å; N196-I200 PolarHBondContact O-N 3.41Å; I200-E202 VanDerWaalsContact C-N 3.29Å; I200-E202 PolarHBondContact O-N 3.33Å; I200-N203 CarbonylContact O-C 3.34Å; I200-N203 WeakPolarHBondContact O-CA 3.32Å; I200-N203 WeakPolarHBondContact O-CB 3.43Å; I200-N203 PolarHBondContact O-N 3Å; I200-E204 WeakPolarHBondContact O-CG 3.47Å; I200-E204 PolarHBondContact O-N 3.31Å
201	K	65.4	Low	58.8	Low	152 Å²	152	98.7 Å²	98.7	66%	0.661	50%	0.501	S	S	*	.	H	α-helix	trans	-61.6	-33	176.2	-74	-171.8	173.5	-173	0	113.3	T197 M198 N205	T197-K201 WeakPolarHBondContact O-CB 3.38Å; T197-K201 WeakPolarHBondContact O-CG 3.28Å; T197-K201 PolarHBondContact O-N 3.22Å; M198-K201 PolarHBondContact O-N 3.3Å; K201-N205 WeakPolarHBondContact O-CB 3.47Å; K201-N205 PolarHBondContact O-N 2.92Å
202	E	60.9	Low	59.8	Low	105 Å²	105	100.1 Å²	100.1	49%	0.491	51%	0.505	S	S	.	.	H	α-helix	trans	-70.8	-36.4	173.4	-170	178.5	-160.1	0	0	110.8	M198 I200 L206	M198-E202 WeakPolarHBondContact O-CB 3.4Å; M198-E202 PolarHBondContact O-N 2.87Å; I200-E202 VanDerWaalsContact C-N 3.29Å; I200-E202 PolarHBondContact O-N 3.33Å; E202-L206 HydrophobicContact CG-CD1 3.99Å; E202-L206 HydrophobicContact CG-CG 4.36Å; E202-L206 WeakPolarHBondContact O-CB 3.26Å; E202-L206 WeakPolarHBondContact O-CD1 3.45Å; E202-L206 WeakPolarHBondContact O-CG 3.4Å; E202-L206 PolarHBondContact O-N 2.91Å
203	N	57.5	Low	60.5	Low	86 Å²	86	102.9 Å²	102.9	46%	0.46	52%	0.516	S	S	.	.	H	α-helix	trans	-68.3	-40.1	171.9	-87.3	-79.9	0	0	0	112.6	L199 I200 L206 R207	L199-N203 WeakPolarHBondContact O-CB 3.33Å; L199-N203 PolarHBondContact O-N 2.85Å; L199-N203 PolarHBondContact O-ND2 3.39Å; I200-N203 CarbonylContact O-C 3.34Å; I200-N203 WeakPolarHBondContact O-CA 3.32Å; I200-N203 WeakPolarHBondContact O-CB 3.43Å; I200-N203 PolarHBondContact O-N 3Å; N203-L206 PolarHBondContact O-N 2.88Å; N203-R207 WeakPolarHBondContact O-CB 3.43Å; N203-R207 VanDerWaalsContact O-CG 3.27Å; N203-R207 WeakPolarHBondContact O-CG 3.29Å; N203-R207 PolarHBondContact O-N 3.48Å
204	E	68.4	Low	61.3	Low	113 Å²	113	104.9 Å²	104.9	53%	0.528	52%	0.518	S	S	.	.	H	α-helix	trans	-66.9	-46.1	176.2	-69.8	166.5	162.3	0	0	111.1	I200 L206 R207 G208	I200-E204 WeakPolarHBondContact O-CG 3.47Å; I200-E204 PolarHBondContact O-N 3.31Å; E204-L206 PolarHBondContact O-N 2.83Å; E204-R207 PolarHBondContact O-N 3.49Å; E204-G208 PolarHBondContact O-N 3.26Å
205	N	69.3	Low	62.5	Low	97 Å²	97	102.5 Å²	102.5	52%	0.519	51%	0.514	S	S	.	.	H	α-helix	trans	-63.5	-39.7	174.2	-169	-70.4	0	0	0	111.4	K201 G208 R209	K201-N205 WeakPolarHBondContact O-CB 3.47Å; K201-N205 PolarHBondContact O-N 2.92Å; N205-G208 PolarHBondContact O-N 3.3Å; N205-R209 VanDerWaalsContact O-CB 3.22Å; N205-R209 WeakPolarHBondContact O-CB 3.42Å; N205-R209 WeakPolarHBondContact O-CG 3.35Å; N205-R209 PolarHBondContact O-N 2.58Å; N205-R209 WeakPolarHBondContact OD1-CD 3.28Å
206	L	64.3	Low	63.5	Low	72 Å²	72	102 Å²	102	38%	0.377	51%	0.511	S	S	.	.	H	α-helix	trans	-66.8	-36.3	173.2	-76.3	169.8	0	0	0	112.4	E202 N203 E204 V210	E202-L206 HydrophobicContact CG-CD1 3.99Å; E202-L206 HydrophobicContact CG-CG 4.36Å; E202-L206 WeakPolarHBondContact O-CB 3.26Å; E202-L206 WeakPolarHBondContact O-CD1 3.45Å; E202-L206 WeakPolarHBondContact O-CG 3.4Å; E202-L206 PolarHBondContact O-N 2.91Å; N203-L206 PolarHBondContact O-N 2.88Å; E204-L206 PolarHBondContact O-N 2.83Å; L206-V210 WeakPolarHBondContact O-CB 3.34Å; L206-V210 WeakPolarHBondContact O-CG2 3.38Å; L206-V210 PolarHBondContact O-N 3.46Å
207	R	67.7	Low	64.2	Low	191 Å²	191	103.3 Å²	103.3	72%	0.721	52%	0.517	S	S	*	.	H	α-helix	trans	-64.2	-50.7	172.7	-78.3	170.3	177.6	-118.1	3.4	111.1	N203 E204 R209 V210 Q211	N203-R207 WeakPolarHBondContact O-CB 3.43Å; N203-R207 VanDerWaalsContact O-CG 3.27Å; N203-R207 WeakPolarHBondContact O-CG 3.29Å; N203-R207 PolarHBondContact O-N 3.48Å; E204-R207 PolarHBondContact O-N 3.49Å; R207-R209 VanDerWaalsContact C-N 3.31Å; R207-R209 PolarHBondContact O-N 2.84Å; R207-V210 PolarHBondContact O-N 2.71Å; R207-V210 VanDerWaalsContact O-N 3.16Å; R207-Q211 PolarHBondContact O-N 2.78Å
208	G	75.4	Confident	65	Low	30 Å²	30	105.7 Å²	105.7	31%	0.309	52%	0.523	S	S	.	.	H	α-helix	trans	-60.4	-38.9	176.1	0	0	0	0	0	112.7	E204 N205 Q211 Q212	E204-G208 PolarHBondContact O-N 3.26Å; N205-G208 PolarHBondContact O-N 3.3Å; G208-Q211 PolarHBondContact O-N 3.29Å; G208-Q212 WeakPolarHBondContact O-CB 3.02Å; G208-Q212 WeakPolarHBondContact O-CG 3.29Å; G208-Q212 PolarHBondContact O-N 2.82Å
209	R	70.1	Confident	66	Low	139 Å²	139	105.3 Å²	105.3	53%	0.525	52%	0.519	S	S	.	.	H	α-helix	trans	-72	-31.3	174.6	-74.8	179.8	66.9	179.6	3.2	113.7	N205 R207 L213	N205-R209 VanDerWaalsContact O-CB 3.22Å; N205-R209 WeakPolarHBondContact O-CB 3.42Å; N205-R209 WeakPolarHBondContact O-CG 3.35Å; N205-R209 PolarHBondContact O-N 2.58Å; N205-R209 WeakPolarHBondContact OD1-CD 3.28Å; R207-R209 VanDerWaalsContact C-N 3.31Å; R207-R209 PolarHBondContact O-N 2.84Å; R209-L213 VanDerWaalsContact O-CB 3.24Å; R209-L213 WeakPolarHBondContact O-CB 3.45Å; R209-L213 WeakPolarHBondContact O-CD1 3.24Å; R209-L213 WeakPolarHBondContact O-CG 3.43Å; R209-L213 PolarHBondContact O-N 2.86Å
210	V	62.4	Low	66.3	Low	71 Å²	71	109.4 Å²	109.4	43%	0.43	53%	0.529	S	S	.	.	H	α-helix	trans	-64.6	-49.5	169.9	161.9	0	0	0	0	108.9	L206 R207 Q212 L213 E214	L206-V210 WeakPolarHBondContact O-CB 3.34Å; L206-V210 WeakPolarHBondContact O-CG2 3.38Å; L206-V210 PolarHBondContact O-N 3.46Å; R207-V210 PolarHBondContact O-N 2.71Å; R207-V210 VanDerWaalsContact O-N 3.16Å; V210-Q212 VanDerWaalsContact C-N 3.35Å; V210-Q212 PolarHBondContact O-N 3.46Å; V210-L213 CarbonylContact O-C 3.58Å; V210-L213 PolarHBondContact O-N 3.42Å; V210-E214 VanDerWaalsContact CG1-CD 3.49Å; V210-E214 HydrophobicContact CG1-CG 4.33Å; V210-E214 WeakPolarHBondContact CG1-OE1 3.35Å; V210-E214 WeakPolarHBondContact O-CB 3.44Å; V210-E214 VanDerWaalsContact O-CG 3.3Å; V210-E214 WeakPolarHBondContact O-CG 3.41Å; V210-E214 PolarHBondContact O-N 3.1Å
211	Q	69.6	Low	66.1	Low	140 Å²	140	107.5 Å²	107.5	65%	0.654	53%	0.527	S	S	*	.	H	α-helix	trans	-62	-37.5	178.2	-164.3	175.2	8.4	0	0	113.2	R207 G208 S215	R207-Q211 PolarHBondContact O-N 2.78Å; G208-Q211 PolarHBondContact O-N 3.29Å; Q211-S215 PolarHBondContact O-N 2.78Å; Q211-S215 PolarHBondContact O-OG 2.79Å
212	Q	72.8	Confident	66.4	Low	134 Å²	134	106 Å²	106	63%	0.626	52%	0.523	S	S	*	.	H	α-helix	trans	-70.4	-34	171.8	-77.4	-179.4	-24.2	0	0	113.4	G208 V210 S215 S216	G208-Q212 WeakPolarHBondContact O-CB 3.02Å; G208-Q212 WeakPolarHBondContact O-CG 3.29Å; G208-Q212 PolarHBondContact O-N 2.82Å; V210-Q212 VanDerWaalsContact C-N 3.35Å; V210-Q212 PolarHBondContact O-N 3.46Å; Q212-S215 PolarHBondContact O-OG 2.8Å; Q212-S216 WeakPolarHBondContact O-CB 3.33Å; Q212-S216 PolarHBondContact O-N 2.93Å
213	L	64	Low	66.9	Low	113 Å²	113	105.5 Å²	105.5	59%	0.592	52%	0.521	S	S	*	.	H	α-helix	trans	-74.1	-34.3	175	-76.6	168.5	0	0	0	111.3	R209 V210 L217	R209-L213 VanDerWaalsContact O-CB 3.24Å; R209-L213 WeakPolarHBondContact O-CB 3.45Å; R209-L213 WeakPolarHBondContact O-CD1 3.24Å; R209-L213 WeakPolarHBondContact O-CG 3.43Å; R209-L213 PolarHBondContact O-N 2.86Å; V210-L213 CarbonylContact O-C 3.58Å; V210-L213 PolarHBondContact O-N 3.42Å; L213-L217 WeakPolarHBondContact O-CB 3.19Å; L213-L217 PolarHBondContact O-N 2.96Å
214	E	60.8	Low	67	Low	114 Å²	114	106 Å²	106	53%	0.533	52%	0.523	S	S	.	.	H	α-helix	trans	-64.6	-51.2	173.3	-74.4	163.5	167.8	0	0	110.4	V210 S216 L217 Q218	V210-E214 VanDerWaalsContact CG1-CD 3.49Å; V210-E214 HydrophobicContact CG1-CG 4.33Å; V210-E214 WeakPolarHBondContact CG1-OE1 3.35Å; V210-E214 WeakPolarHBondContact O-CB 3.44Å; V210-E214 VanDerWaalsContact O-CG 3.3Å; V210-E214 WeakPolarHBondContact O-CG 3.41Å; V210-E214 PolarHBondContact O-N 3.1Å; E214-S216 PolarHBondContact O-N 2.95Å; E214-L217 PolarHBondContact O-N 3.43Å; E214-Q218 WeakPolarHBondContact O-CB 3.4Å; E214-Q218 PolarHBondContact O-N 3.31Å
215	S	70.2	Confident	66.9	Low	69 Å²	69	102.3 Å²	102.3	48%	0.483	51%	0.509	S	S	.	.	H	α-helix	trans	-65.1	-38.6	176.7	66	0	0	0	0	113	Q211 Q212 Q218 Q219	Q211-S215 PolarHBondContact O-N 2.78Å; Q211-S215 PolarHBondContact O-OG 2.79Å; Q212-S215 PolarHBondContact O-OG 2.8Å; S215-Q218 PolarHBondContact O-N 3.28Å; S215-Q219 WeakPolarHBondContact O-CB 3.47Å; S215-Q219 PolarHBondContact O-N 2.88Å
216	S	67.4	Low	67	Low	44 Å²	44	102.6 Å²	102.6	31%	0.308	51%	0.508	S	S	.	.	H	α-helix	trans	-69.9	-32.7	175.4	-171.4	0	0	0	0	112.8	Q212 E214 R220	Q212-S216 WeakPolarHBondContact O-CB 3.33Å; Q212-S216 PolarHBondContact O-N 2.93Å; E214-S216 PolarHBondContact O-N 2.95Å; S216-R220 VanDerWaalsContact O-CB 3.3Å; S216-R220 WeakPolarHBondContact O-CB 3.41Å; S216-R220 VanDerWaalsContact O-CG 3.25Å; S216-R220 WeakPolarHBondContact O-CG 3.35Å; S216-R220 PolarHBondContact O-N 3.39Å
217	L	61.3	Low	67.1	Low	127 Å²	127	103.8 Å²	103.8	67%	0.665	51%	0.514	S	S	*	.	H	α-helix	trans	-73.6	-37.4	174.9	-174.7	143.3	0	0	0	111.3	L213 E214 R220 A221	L213-L217 WeakPolarHBondContact O-CB 3.19Å; L213-L217 PolarHBondContact O-N 2.96Å; E214-L217 PolarHBondContact O-N 3.43Å; L217-R220 PolarHBondContact O-N 3.42Å; L217-A221 WeakPolarHBondContact O-CB 3.1Å; L217-A221 PolarHBondContact O-N 2.98Å
218	Q	68.3	Low	66.8	Low	132 Å²	132	99.7 Å²	99.7	62%	0.617	50%	0.503	S	S	*	.	H	α-helix	trans	-63.7	-48.7	172.6	-170.5	167.8	-2.2	0	0	111	E214 S215 R220 A221 E222	E214-Q218 WeakPolarHBondContact O-CB 3.4Å; E214-Q218 PolarHBondContact O-N 3.31Å; S215-Q218 PolarHBondContact O-N 3.28Å; Q218-R220 VanDerWaalsContact C-N 3.29Å; Q218-R220 PolarHBondContact O-N 3.44Å; Q218-A221 WeakPolarHBondContact O-CB 3.37Å; Q218-A221 PolarHBondContact O-N 2.87Å; Q218-A221 VanDerWaalsContact O-N 3.11Å; Q218-E222 PolarHBondContact O-N 2.96Å
219	Q	72.5	Confident	66.7	Low	113 Å²	113	106 Å²	106	53%	0.528	52%	0.517	S	S	.	.	H	α-helix	trans	-60.6	-36.4	174.1	-169.7	-178.1	42	0	0	112.4	S215 Q223	S215-Q219 WeakPolarHBondContact O-CB 3.47Å; S215-Q219 PolarHBondContact O-N 2.88Å; Q219-Q223 VanDerWaalsContact O-CG 3.3Å; Q219-Q223 WeakPolarHBondContact O-CG 3.47Å; Q219-Q223 PolarHBondContact O-N 3.45Å
220	R	62.7	Low	66.8	Low	162 Å²	162	104.6 Å²	104.6	61%	0.611	52%	0.515	S	S	*	.	H	α-helix	trans	-71.2	-33.8	174.1	-80.4	177.2	173.9	-164	-1.3	113.2	S216 L217 Q218 Q223 L224	S216-R220 VanDerWaalsContact O-CB 3.3Å; S216-R220 WeakPolarHBondContact O-CB 3.41Å; S216-R220 VanDerWaalsContact O-CG 3.25Å; S216-R220 WeakPolarHBondContact O-CG 3.35Å; S216-R220 PolarHBondContact O-N 3.39Å; L217-R220 PolarHBondContact O-N 3.42Å; Q218-R220 VanDerWaalsContact C-N 3.29Å; Q218-R220 PolarHBondContact O-N 3.44Å; R220-Q223 PolarHBondContact O-N 3.2Å; R220-L224 WeakPolarHBondContact O-CB 3.38Å; R220-L224 VanDerWaalsContact O-CG 3.31Å; R220-L224 WeakPolarHBondContact O-CG 3.34Å; R220-L224 PolarHBondContact O-N 2.66Å
221	A	57.7	Low	66.8	Low	53 Å²	53	103.1 Å²	103.1	44%	0.438	51%	0.507	S	S	.	.	H	α-helix	trans	-65.3	-40.5	173.7	0	0	0	0	0	111	L217 Q218 L224 S225	L217-A221 WeakPolarHBondContact O-CB 3.1Å; L217-A221 PolarHBondContact O-N 2.98Å; Q218-A221 WeakPolarHBondContact O-CB 3.37Å; Q218-A221 PolarHBondContact O-N 2.87Å; Q218-A221 VanDerWaalsContact O-N 3.11Å; A221-L224 PolarHBondContact O-N 3.05Å; A221-S225 WeakPolarHBondContact O-CB 3.48Å; A221-S225 PolarHBondContact O-N 3.07Å
222	E	71.9	Confident	66.8	Low	120 Å²	120	102.3 Å²	102.3	56%	0.561	50%	0.504	S	S	*	.	H	α-helix	trans	-66.2	-41.2	172.9	-67.6	179.3	133.5	0	0	112.2	Q218 S225 Q226	Q218-E222 PolarHBondContact O-N 2.96Å; E222-S225 PolarHBondContact O-N 3.44Å; E222-Q226 WeakPolarHBondContact O-CB 3.34Å; E222-Q226 WeakPolarHBondContact O-CG 3.49Å; E222-Q226 PolarHBondContact O-N 2.97Å
223	Q	69.8	Low	66.9	Low	96 Å²	96	100.5 Å²	100.5	45%	0.449	50%	0.495	S	S	.	.	H	α-helix	trans	-63.2	-39.9	173.5	-74.9	174.4	-1.8	0	0	112.4	Q219 R220 Q226 L227	Q219-Q223 VanDerWaalsContact O-CG 3.3Å; Q219-Q223 WeakPolarHBondContact O-CG 3.47Å; Q219-Q223 PolarHBondContact O-N 3.45Å; R220-Q223 PolarHBondContact O-N 3.2Å; Q223-Q226 PolarHBondContact O-N 3.05Å; Q223-L227 WeakPolarHBondContact O-CB 3.36Å; Q223-L227 VanDerWaalsContact O-CG 3.25Å; Q223-L227 WeakPolarHBondContact O-CG 3.29Å; Q223-L227 PolarHBondContact O-N 2.92Å
224	L	59.5	Low	67.3	Low	97 Å²	97	101.3 Å²	101.3	51%	0.508	49%	0.49	S	S	.	.	H	α-helix	trans	-63.4	-50.1	174.2	-78.3	165.5	0	0	0	110.8	R220 A221 Q226 L227 E228	R220-L224 WeakPolarHBondContact O-CB 3.38Å; R220-L224 VanDerWaalsContact O-CG 3.31Å; R220-L224 WeakPolarHBondContact O-CG 3.34Å; R220-L224 PolarHBondContact O-N 2.66Å; A221-L224 PolarHBondContact O-N 3.05Å; L224-Q226 PolarHBondContact O-N 3.27Å; L224-L227 CarbonylContact O-C 3.53Å; L224-L227 WeakPolarHBondContact O-CA 3.47Å; L224-L227 PolarHBondContact O-N 3.47Å; L224-E228 WeakPolarHBondContact O-CB 3.12Å; L224-E228 VanDerWaalsContact O-CG 3.32Å; L224-E228 WeakPolarHBondContact O-CG 3.42Å; L224-E228 PolarHBondContact O-N 3.08Å
225	S	66.5	Low	67.4	Low	35 Å²	35	100.8 Å²	100.8	25%	0.245	49%	0.488	C	S	.	.	H	α-helix	trans	-59.5	-34.3	177	-168.8	0	0	0	0	113	A221 E222 E228 R229	A221-S225 WeakPolarHBondContact O-CB 3.48Å; A221-S225 PolarHBondContact O-N 3.07Å; E222-S225 PolarHBondContact O-N 3.44Å; S225-E228 WeakPolarHBondContact CA-OE2 3.45Å; S225-R229 WeakPolarHBondContact O-CD 3.21Å; S225-R229 VanDerWaalsContact O-CG 3.27Å; S225-R229 WeakPolarHBondContact O-CG 3.39Å; S225-R229 PolarHBondContact O-N 3.01Å; S225-R229 PolarHBondContact OG-NH2 3.47Å
226	Q	71.8	Confident	67.7	Low	103 Å²	103	105.4 Å²	105.4	48%	0.481	50%	0.495	S	S	.	.	H	α-helix	trans	-71.6	-31.2	171.1	-72.6	-175.1	30.3	0	0	113.8	E222 Q223 L224 K230	E222-Q226 WeakPolarHBondContact O-CB 3.34Å; E222-Q226 WeakPolarHBondContact O-CG 3.49Å; E222-Q226 PolarHBondContact O-N 2.97Å; Q223-Q226 PolarHBondContact O-N 3.05Å; L224-Q226 PolarHBondContact O-N 3.27Å; Q226-K230 WeakPolarHBondContact O-CB 3.32Å; Q226-K230 VanDerWaalsContact O-CD 3.23Å; Q226-K230 WeakPolarHBondContact O-CD 3.34Å; Q226-K230 WeakPolarHBondContact O-CG 3.19Å; Q226-K230 PolarHBondContact O-N 3.35Å
227	L	66.5	Low	68	Low	96 Å²	96	109.7 Å²	109.7	50%	0.503	50%	0.504	S	S	.	.	H	α-helix	trans	-80.6	-34.9	179	-77.1	169.1	0	0	0	112.5	Q223 L224 K230 S231	Q223-L227 WeakPolarHBondContact O-CB 3.36Å; Q223-L227 VanDerWaalsContact O-CG 3.25Å; Q223-L227 WeakPolarHBondContact O-CG 3.29Å; Q223-L227 PolarHBondContact O-N 2.92Å; L224-L227 CarbonylContact O-C 3.53Å; L224-L227 WeakPolarHBondContact O-CA 3.47Å; L224-L227 PolarHBondContact O-N 3.47Å; L227-K230 CarbonylContact O-C 3.54Å; L227-K230 PolarHBondContact O-N 3.01Å; L227-S231 PolarHBondContact O-N 3.41Å
228	E	61.3	Low	68.4	Low	105 Å²	105	110.7 Å²	110.7	49%	0.491	50%	0.499	S	S	.	.	H	α-helix	trans	-60.1	-55.4	172.9	-73.2	161.2	171.9	0	0	109.8	L224 S225 K230 S231 E232	L224-E228 WeakPolarHBondContact O-CB 3.12Å; L224-E228 VanDerWaalsContact O-CG 3.32Å; L224-E228 WeakPolarHBondContact O-CG 3.42Å; L224-E228 PolarHBondContact O-N 3.08Å; S225-E228 WeakPolarHBondContact CA-OE2 3.45Å; E228-K230 PolarHBondContact O-N 2.65Å; E228-K230 VanDerWaalsContact O-N 3.14Å; E228-S231 CarbonylContact O-C 3.53Å; E228-S231 WeakPolarHBondContact O-CA 3.3Å; E228-S231 WeakPolarHBondContact O-CB 3.45Å; E228-S231 PolarHBondContact O-N 3.27Å; E228-E232 WeakPolarHBondContact O-CG 3.45Å; E228-E232 PolarHBondContact O-N 2.84Å
229	R	73.4	Confident	68.5	Low	163 Å²	163	106.2 Å²	106.2	62%	0.615	49%	0.489	S	S	*	.	H	α-helix	trans	-54.5	-34.6	172.8	-67.9	170	-173.6	160.5	5.4	113.1	S225 E232 H233	S225-R229 WeakPolarHBondContact O-CD 3.21Å; S225-R229 VanDerWaalsContact O-CG 3.27Å; S225-R229 WeakPolarHBondContact O-CG 3.39Å; S225-R229 PolarHBondContact O-N 3.01Å; S225-R229 PolarHBondContact OG-NH2 3.47Å; R229-E232 WeakPolarHBondContact CA-OE2 3.38Å; R229-H233 WeakPolarHBondContact O-CB 3.44Å; R229-H233 PolarHBondContact O-N 2.91Å
230	K	73.2	Confident	68.6	Low	110 Å²	110	105.1 Å²	105.1	48%	0.478	48%	0.483	S	S	.	.	H	α-helix	trans	-77.4	-22.8	174.3	-73.1	167.5	-170.6	165.7	0	112.8	Q226 L227 E228 R234	Q226-K230 WeakPolarHBondContact O-CB 3.32Å; Q226-K230 VanDerWaalsContact O-CD 3.23Å; Q226-K230 WeakPolarHBondContact O-CD 3.34Å; Q226-K230 WeakPolarHBondContact O-CG 3.19Å; Q226-K230 PolarHBondContact O-N 3.35Å; L227-K230 CarbonylContact O-C 3.54Å; L227-K230 PolarHBondContact O-N 3.01Å; E228-K230 PolarHBondContact O-N 2.65Å; E228-K230 VanDerWaalsContact O-N 3.14Å; K230-R234 WeakPolarHBondContact O-CB 3.41Å; K230-R234 VanDerWaalsContact O-CG 3.31Å; K230-R234 WeakPolarHBondContact O-CG 3.37Å; K230-R234 PolarHBondContact O-N 3.07Å; K230-R234 PolarHBondContact O-NE 2.92Å
231	S	61.3	Low	68.9	Low	39 Å²	39	101.8 Å²	101.8	27%	0.273	48%	0.475	S	S	.	.	H	α-helix	trans	-79.5	-50.8	173.7	-146.1	0	0	0	0	110.6	L227 E228 H233 R234 E235	L227-S231 PolarHBondContact O-N 3.41Å; E228-S231 CarbonylContact O-C 3.53Å; E228-S231 WeakPolarHBondContact O-CA 3.3Å; E228-S231 WeakPolarHBondContact O-CB 3.45Å; E228-S231 PolarHBondContact O-N 3.27Å; S231-H233 VanDerWaalsContact C-N 3.28Å; S231-H233 PolarHBondContact O-N 3.31Å; S231-R234 CarbonylContact O-C 3.22Å; S231-R234 WeakPolarHBondContact O-CA 3.31Å; S231-R234 PolarHBondContact O-N 2.87Å; S231-E235 WeakPolarHBondContact CB-OE1 3.46Å; S231-E235 PolarHBondContact O-N 3.38Å; S231-E235 PolarHBondContact OG-OE1 3.03Å
232	E	70.1	Confident	69.5	Low	123 Å²	123	104.1 Å²	104.1	58%	0.575	48%	0.479	S	S	*	.	H	α-helix	trans	-47.6	-50.5	173.8	-67.1	168.2	162.8	0	0	111	E228 R229 R234 E235 W236	E228-E232 WeakPolarHBondContact O-CG 3.45Å; E228-E232 PolarHBondContact O-N 2.84Å; R229-E232 WeakPolarHBondContact CA-OE2 3.38Å; E232-R234 VanDerWaalsContact C-N 3.31Å; E232-R234 PolarHBondContact O-N 3.01Å; E232-E235 PolarHBondContact O-N 3.3Å; E232-W236 WeakPolarHBondContact O-CB 3.43Å; E232-W236 PolarHBondContact O-N 3.32Å
233	H	75.1	Confident	69.5	Low	96 Å²	96	107 Å²	107	44%	0.444	49%	0.485	S	S	.	.	H	α-helix	trans	-68.9	-22.4	178.9	-173.9	74.5	0	0	0	114.6	R229 S231 R237	R229-H233 WeakPolarHBondContact O-CB 3.44Å; R229-H233 PolarHBondContact O-N 2.91Å; S231-H233 VanDerWaalsContact C-N 3.28Å; S231-H233 PolarHBondContact O-N 3.31Å; H233-R237 PolarHBondContact CD2-NH2 3.43Å; H233-R237 VanDerWaalsContact CD2-NH2 3.34Å; H233-R237 PolarHBondContact NE2-NE 2.86Å; H233-R237 PolarHBondContact NE2-NH2 2.71Å; H233-R237 PolarHBondContact O-N 2.79Å
234	R	71.4	Confident	69.7	Low	130 Å²	130	108.5 Å²	108.5	49%	0.491	49%	0.49	S	S	.	.	H	α-helix	trans	-89	-22.4	173.4	-78.2	179.8	-66	179.5	2.6	113.2	K230 S231 E232 R238	K230-R234 WeakPolarHBondContact O-CB 3.41Å; K230-R234 VanDerWaalsContact O-CG 3.31Å; K230-R234 WeakPolarHBondContact O-CG 3.37Å; K230-R234 PolarHBondContact O-N 3.07Å; K230-R234 PolarHBondContact O-NE 2.92Å; S231-R234 CarbonylContact O-C 3.22Å; S231-R234 WeakPolarHBondContact O-CA 3.31Å; S231-R234 PolarHBondContact O-N 2.87Å; E232-R234 VanDerWaalsContact C-N 3.31Å; E232-R234 PolarHBondContact O-N 3.01Å; R234-R238 WeakPolarHBondContact O-CB 3.45Å; R234-R238 WeakPolarHBondContact O-CG 3.26Å; R234-R238 PolarHBondContact O-N 3.33Å; R234-R238 PolarHBondContact O-NE 3.21Å
235	E	63.8	Low	70.1	Confident	104 Å²	104	110.6 Å²	110.6	49%	0.486	49%	0.491	S	S	.	.	H	α-helix	trans	-79.7	-42.7	172.4	-76.4	156.3	-137	0	0	110.1	S231 E232 R237 R238 G239	S231-E235 WeakPolarHBondContact CB-OE1 3.46Å; S231-E235 PolarHBondContact O-N 3.38Å; S231-E235 PolarHBondContact OG-OE1 3.03Å; E232-E235 PolarHBondContact O-N 3.3Å; E235-R237 PolarHBondContact O-N 3.44Å; E235-R238 CarbonylContact O-C 3.43Å; E235-R238 PolarHBondContact O-N 3.06Å; E235-R238 VanDerWaalsContact O-N 3.13Å; E235-G239 PolarHBondContact O-N 3.39Å
236	W	76.3	Confident	70.3	Confident	165 Å²	165	113.5 Å²	113.5	63%	0.625	50%	0.501	S	S	*	.	H	α-helix	trans	-53.4	-49.8	169.5	-174	89.1	0	0	0	112	E232 R238 G239 E240	E232-W236 WeakPolarHBondContact O-CB 3.43Å; E232-W236 PolarHBondContact O-N 3.32Å; W236-R238 PolarHBondContact O-N 3.05Å; W236-G239 PolarHBondContact O-N 2.86Å; W236-E240 HydrophobicContact CH2-CG 4.47Å; W236-E240 PolarHBondContact O-N 2.9Å
237	R	73.5	Confident	70.3	Confident	135 Å²	135	113.1 Å²	113.1	51%	0.509	50%	0.502	S	S	.	.	H	α-helix	trans	-63.4	-38.6	175.4	-98.4	-167.3	-91.5	177.6	-13.2	113.5	H233 E235 G239 E240 E241	H233-R237 PolarHBondContact CD2-NH2 3.43Å; H233-R237 VanDerWaalsContact CD2-NH2 3.34Å; H233-R237 PolarHBondContact NE2-NE 2.86Å; H233-R237 PolarHBondContact NE2-NH2 2.71Å; H233-R237 PolarHBondContact O-N 2.79Å; E235-R237 PolarHBondContact O-N 3.44Å; R237-G239 VanDerWaalsContact C-N 3.31Å; R237-G239 PolarHBondContact O-N 2.68Å; R237-E240 PolarHBondContact O-N 3.31Å; R237-E241 PolarHBondContact O-N 2.9Å; R237-E241 VanDerWaalsContact O-N 3.11Å
238	R	69.1	Low	70.3	Confident	148 Å²	148	116.2 Å²	116.2	56%	0.558	51%	0.507	S	S	*	.	H	α-helix	trans	-67.6	-30.9	174.8	-82.8	-177	-71.9	176.6	2.9	112.6	R234 E235 W236 E241 L242	R234-R238 WeakPolarHBondContact O-CB 3.45Å; R234-R238 WeakPolarHBondContact O-CG 3.26Å; R234-R238 PolarHBondContact O-N 3.33Å; R234-R238 PolarHBondContact O-NE 3.21Å; E235-R238 CarbonylContact O-C 3.43Å; E235-R238 PolarHBondContact O-N 3.06Å; E235-R238 VanDerWaalsContact O-N 3.13Å; W236-R238 PolarHBondContact O-N 3.05Å; R238-E241 PolarHBondContact O-N 3.46Å; R238-L242 WeakPolarHBondContact O-CB 3.47Å; R238-L242 PolarHBondContact O-N 2.9Å
239	G	70.5	Confident	70.4	Confident	38 Å²	38	114.8 Å²	114.8	39%	0.392	51%	0.506	S	S	.	.	H	α-helix	trans	-63.5	-42.1	172.8	0	0	0	0	0	113.4	E235 W236 R237 R243	E235-G239 PolarHBondContact O-N 3.39Å; W236-G239 PolarHBondContact O-N 2.86Å; R237-G239 VanDerWaalsContact C-N 3.31Å; R237-G239 PolarHBondContact O-N 2.68Å; G239-R243 PolarHBondContact O-N 2.93Å
240	E	75.6	Confident	70	Confident	90 Å²	90	114.2 Å²	114.2	42%	0.421	50%	0.503	S	S	.	.	H	α-helix	trans	-62.8	-43.6	170.4	-77.5	-147.8	122.9	0	0	112.5	W236 R237 L242 K244	W236-E240 HydrophobicContact CH2-CG 4.47Å; W236-E240 PolarHBondContact O-N 2.9Å; R237-E240 PolarHBondContact O-N 3.31Å; E240-L242 VanDerWaalsContact C-N 3.31Å; E240-L242 PolarHBondContact O-N 3.05Å; E240-K244 WeakPolarHBondContact O-CG 3.47Å; E240-K244 PolarHBondContact O-N 3.42Å; E240-K244 IonicContact OE1-NZ 3.25Å; E240-K244 IonicContact OE2-NZ 3.76Å; E240-K244 PolarHBondContact OE2-NZ 2.87Å
241	E	68.8	Low	69.4	Low	92 Å²	92	114.6 Å²	114.6	43%	0.43	51%	0.507	S	S	.	.	H	α-helix	trans	-69.9	-24.6	-178.5	-102.5	-164	-113.3	0	0	113.8	R237 R238 R245	R237-E241 PolarHBondContact O-N 2.9Å; R237-E241 VanDerWaalsContact O-N 3.11Å; R238-E241 PolarHBondContact O-N 3.46Å; E241-R245 WeakPolarHBondContact O-CG 3.3Å; E241-R245 PolarHBondContact O-NH1 3.24Å; E241-R245 IonicContact OE2-CZ 2.68Å; E241-R245 VanDerWaalsContact OE2-CZ 3.25Å; E241-R245 IonicContact OE2-NH1 2.75Å; E241-R245 PolarHBondContact OE2-NH1 3.18Å; E241-R245 IonicContact OE2-NH2 2.67Å; E241-R245 PolarHBondContact OE2-NH2 2.86Å
242	L	69.4	Low	69.3	Low	101 Å²	101	117.2 Å²	117.2	53%	0.529	52%	0.517	S	S	.	.	H	α-helix	trans	-74.9	-49.6	176	-144.6	76.6	0	0	0	110.7	R238 E240 K244 R245 E246	R238-L242 WeakPolarHBondContact O-CB 3.47Å; R238-L242 PolarHBondContact O-N 2.9Å; E240-L242 VanDerWaalsContact C-N 3.31Å; E240-L242 PolarHBondContact O-N 3.05Å; L242-K244 VanDerWaalsContact C-N 3.3Å; L242-K244 PolarHBondContact O-N 2.95Å; L242-R245 CarbonylContact O-C 3.56Å; L242-R245 WeakPolarHBondContact O-CA 3.17Å; L242-R245 PolarHBondContact O-N 3.47Å; L242-E246 WeakPolarHBondContact O-CG 3.43Å; L242-E246 PolarHBondContact O-N 2.86Å
243	R	72.6	Confident	68.6	Low	182 Å²	182	117 Å²	117	69%	0.687	52%	0.516	S	S	*	.	H	α-helix	trans	-52.3	-48.3	175.7	-73.3	178.6	170.2	178.1	-3.6	111.8	G239 R245 E246 D247	G239-R243 PolarHBondContact O-N 2.93Å; R243-R245 PolarHBondContact O-N 2.93Å; R243-R245 VanDerWaalsContact O-N 3.12Å; R243-E246 PolarHBondContact O-N 2.89Å; R243-D247 PolarHBondContact O-N 3.44Å
244	K	73.7	Confident	67.6	Low	127 Å²	127	118.9 Å²	118.9	55%	0.552	53%	0.529	S	S	*	.	H	α-helix	trans	-61.9	-18.1	177.2	-69.9	166.8	-174.9	160.3	0	114.1	E240 L242	E240-K244 WeakPolarHBondContact O-CG 3.47Å; E240-K244 PolarHBondContact O-N 3.42Å; E240-K244 IonicContact OE1-NZ 3.25Å; E240-K244 IonicContact OE2-NZ 3.76Å; E240-K244 PolarHBondContact OE2-NZ 2.87Å; L242-K244 VanDerWaalsContact C-N 3.3Å; L242-K244 PolarHBondContact O-N 2.95Å
245	R	69.1	Low	66.7	Low	140 Å²	140	118.9 Å²	118.9	53%	0.528	54%	0.535	S	S	.	.	H	α-helix	trans	-96.5	-35.2	173.2	-71.8	-175.6	-177.7	89.9	-5.7	112.6	E241 L242 R243 D247 R248 V249	E241-R245 WeakPolarHBondContact O-CG 3.3Å; E241-R245 PolarHBondContact O-NH1 3.24Å; E241-R245 IonicContact OE2-CZ 2.68Å; E241-R245 VanDerWaalsContact OE2-CZ 3.25Å; E241-R245 IonicContact OE2-NH1 2.75Å; E241-R245 PolarHBondContact OE2-NH1 3.18Å; E241-R245 IonicContact OE2-NH2 2.67Å; E241-R245 PolarHBondContact OE2-NH2 2.86Å; L242-R245 CarbonylContact O-C 3.56Å; L242-R245 WeakPolarHBondContact O-CA 3.17Å; L242-R245 PolarHBondContact O-N 3.47Å; R243-R245 PolarHBondContact O-N 2.93Å; R243-R245 VanDerWaalsContact O-N 3.12Å; R245-D247 VanDerWaalsContact C-N 3.27Å; R245-D247 PolarHBondContact O-N 2.89Å; R245-R248 WeakPolarHBondContact O-CA 3.45Å; R245-R248 WeakPolarHBondContact O-CB 3.44Å; R245-R248 PolarHBondContact O-N 2.84Å; R245-V249 WeakPolarHBondContact O-CG2 3.35Å; R245-V249 PolarHBondContact O-N 2.67Å
246	E	69.9	Low	66	Low	97 Å²	97	120.9 Å²	120.9	45%	0.453	55%	0.548	S	S	.	.	H	α-helix	trans	-62	-35.2	174.2	-69.7	166.2	166.5	0	0	112	L242 R243 R248 R250	L242-E246 WeakPolarHBondContact O-CG 3.43Å; L242-E246 PolarHBondContact O-N 2.86Å; R243-E246 PolarHBondContact O-N 2.89Å; E246-R248 VanDerWaalsContact C-N 3.35Å; E246-R250 PolarHBondContact O-NE 3.17Å
247	D	71.3	Confident	64.8	Low	95 Å²	95	120 Å²	120	51%	0.508	56%	0.555	S	S	.	*	H	α-helix	trans	-68.9	-33.8	171.4	-64.3	-27.7	0	0	0	112.2	R243 R245 R250	R243-D247 PolarHBondContact O-N 3.44Å; R245-D247 VanDerWaalsContact C-N 3.27Å; R245-D247 PolarHBondContact O-N 2.89Å; D247-R250 IonicContact OD1-CZ 3.13Å; D247-R250 IonicContact OD1-NH2 2.76Å; D247-R250 PolarHBondContact OD1-NH2 3.32Å
248	R	68.3	Low	63.6	Low	161 Å²	161	121.7 Å²	121.7	61%	0.608	57%	0.566	S	S	*	*	H	α-helix	trans	-76.8	-31.9	-179	-157.2	71.2	172.7	-114.3	-2.5	113.6	R245 E246 E251 L252	R245-R248 WeakPolarHBondContact O-CA 3.45Å; R245-R248 WeakPolarHBondContact O-CB 3.44Å; R245-R248 PolarHBondContact O-N 2.84Å; E246-R248 VanDerWaalsContact C-N 3.35Å; R248-E251 WeakPolarHBondContact CD-OE2 3.33Å; R248-E251 IonicContact NE-OE2 2.68Å; R248-E251 WeakPolarHBondContact O-CB 3.33Å; R248-E251 PolarHBondContact O-N 2.96Å; R248-L252 PolarHBondContact O-N 3.34Å
249	V	63.3	Low	62.6	Low	75 Å²	75	122.7 Å²	122.7	46%	0.455	58%	0.577	S	S	.	*	H	α-helix	trans	-69.1	-41.7	176.8	171	0	0	0	0	110.6	R245 E251 L252 E253	R245-V249 WeakPolarHBondContact O-CG2 3.35Å; R245-V249 PolarHBondContact O-N 2.67Å; V249-E251 PolarHBondContact O-N 3.05Å; V249-L252 PolarHBondContact O-N 2.85Å; V249-L252 VanDerWaalsContact O-N 3.11Å; V249-E253 HydrophobicContact CG1-CG 4.29Å; V249-E253 WeakPolarHBondContact O-CG 3.38Å; V249-E253 PolarHBondContact O-N 3.4Å; V249-E253 VanDerWaalsContact O-N 3.09Å
250	R	63.7	Low	61	Low	151 Å²	151	133 Å²	133	57%	0.57	60%	0.604	S	S	*	*	H	α-helix	trans	-62.4	-24.1	176.4	-70.6	-176.2	-78.6	-165.9	0.5	113.8	E246 D247	E246-R250 PolarHBondContact O-NE 3.17Å; D247-R250 IonicContact OD1-CZ 3.13Å; D247-R250 IonicContact OD1-NH2 2.76Å; D247-R250 PolarHBondContact OD1-NH2 3.32Å
251	E	60.7	Low	59.4	Low	117 Å²	117	132 Å²	132	55%	0.547	62%	0.618	S	S	.	*	H	α-helix	trans	-73.6	-44.7	173.2	-167.4	172.6	-131.1	0	0	111.4	R248 V249 L254	R248-E251 WeakPolarHBondContact CD-OE2 3.33Å; R248-E251 IonicContact NE-OE2 2.68Å; R248-E251 WeakPolarHBondContact O-CB 3.33Å; R248-E251 PolarHBondContact O-N 2.96Å; V249-E251 PolarHBondContact O-N 3.05Å; E251-L254 PolarHBondContact O-N 3.11Å
252	L	58.8	Low	57.8	Low	95 Å²	95	138 Å²	138	50%	0.497	64%	0.643	S	S	.	*	H	α-helix	trans	-76	-29	-176	-67	167.4	0	0	0	114	R248 V249 L254 E255 L256	R248-L252 PolarHBondContact O-N 3.34Å; V249-L252 PolarHBondContact O-N 2.85Å; V249-L252 VanDerWaalsContact O-N 3.11Å; L252-L254 PolarHBondContact O-N 3.17Å; L252-E255 PolarHBondContact O-N 3.36Å; L252-E255 VanDerWaalsContact O-N 3.11Å; L252-L256 PolarHBondContact O-N 2.85Å
253	E	55.2	Low	56	Low	118 Å²	118	142 Å²	142	55%	0.551	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-22.2	176.5	-72	176.5	154.9	0	0	113	V249 N257	V249-E253 HydrophobicContact CG1-CG 4.29Å; V249-E253 WeakPolarHBondContact O-CG 3.38Å; V249-E253 PolarHBondContact O-N 3.4Å; V249-E253 VanDerWaalsContact O-N 3.09Å; E253-N257 PolarHBondContact O-ND2 3.28Å; E253-N257 VanDerWaalsContact O-ND2 3.08Å
254	L	54.3	Low	54.9	Low	136 Å²	136	138.3 Å²	138.3	71%	0.712	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-23.6	172.7	-78.8	161.8	0	0	0	113.3	E251 L252	E251-L254 PolarHBondContact O-N 3.11Å; L252-L254 PolarHBondContact O-N 3.17Å
255	E	54.3	Low	53	Low	130 Å²	130	138.3 Å²	138.3	61%	0.607	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-40.9	179.8	-59.8	-166.7	128	0	0	112.1	L252 N257 K258	L252-E255 PolarHBondContact O-N 3.36Å; L252-E255 VanDerWaalsContact O-N 3.11Å; E255-N257 PolarHBondContact O-N 3.17Å; E255-N257 VanDerWaalsContact O-N 3.09Å; E255-K258 PolarHBondContact O-N 3.38Å
256	L	47.6	Very low	51.2	Low	145 Å²	145	137.6 Å²	137.6	76%	0.759	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-61.7	-24.4	-171.6	-163.4	69.3	0	0	0	114.1	L252 K258	L252-L256 PolarHBondContact O-N 2.85Å; L256-K258 PolarHBondContact O-N 2.72Å
257	N	51.3	Low	49.2	Very low	147 Å²	147	142.7 Å²	142.7	79%	0.786	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-75.4	-0	-178.3	-78.1	-57.8	0	0	0	114.9	E253 E255	E253-N257 PolarHBondContact O-ND2 3.28Å; E253-N257 VanDerWaalsContact O-ND2 3.08Å; E255-N257 PolarHBondContact O-N 3.17Å; E255-N257 VanDerWaalsContact O-N 3.09Å
258	K	49.3	Very low	47.2	Very low	171 Å²	171	148 Å²	148	74%	0.743	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-93.8	-26.6	179.4	-72.3	177.5	178.6	170.2	0	115.3	E255 L256	E255-K258 PolarHBondContact O-N 3.38Å; L256-K258 PolarHBondContact O-N 2.72Å
259	E	47.8	Very low	45.6	Very low	169 Å²	169	146.4 Å²	146.4	79%	0.79	72%	0.723	S	S	*	*			trans	-114.9	60.1	-157.4	-73.3	-63.3	154	0	0	114.4
260	R	37.5	Very low	44.4	Very low	253 Å²	253	148 Å²	148	96%	0.955	73%	0.732	S	S	*	*			trans	-141.6	106.9	172.3	-86.8	-168.2	162.8	-163.7	-5.5	115.1
261	G	41.6	Very low	42.9	Very low	69 Å²	69	149.5 Å²	149.5	71%	0.711	75%	0.746	S	S	*	*			trans	156	115.2	150	0	0	0	0	0	116.8
262	K	33.9	Very low	41.7	Very low	220 Å²	220	149.7 Å²	149.7	96%	0.957	76%	0.756	S	S	*	*			trans	170.7	169.1	143.3	-91.8	153.9	-169.2	175.9	0	113
263	E	32.3	Very low	40.8	Very low	184 Å²	184	151.5 Å²	151.5	86%	0.86	77%	0.77	S	S	*	*			trans	-146.8	-173.2	-168.3	-87.9	-167.1	149.5	0	0	109.5
264	P	50.1	Low	40	Very low	105 Å²	105	154.1 Å²	154.1	68%	0.682	78%	0.782	S	S	*	*			cis	-142.1	-161.4	-47.5	41	-21.8	0	0	0	115.4
265	V	32.7	Very low	39.4	Very low	127 Å²	127	153.3 Å²	153.3	77%	0.77	78%	0.783	S	S	*	*			trans	95.3	114.8	142.4	158.4	0	0	0	0	127
266	V	30.7	Very low	38.8	Very low	124 Å²	124	154.6 Å²	154.6	75%	0.752	79%	0.789	S	S	*	*				47.1	149	129.8	-168.3	0	0	0	0	126.9
267	K	28.3	Very low	38.6	Very low	204 Å²	204	152.1 Å²	152.1	89%	0.887	78%	0.784	S	S	*	*			trans	-164.8	160.1	155.6	-122.9	70.6	173.2	-176.6	0	116.5
268	Y	30.2	Very low	39.1	Very low	206 Å²	206	151.2 Å²	151.2	81%	0.808	79%	0.786	S	S	*	*			trans	-171	162.3	174.7	-172.7	74.3	0	0	0	116.7	T270	Y268-T270 HydrophobicContact CE2-CG2 3.82Å; Y268-T270 WeakPolarHBondContact OH-CG2 3.35Å
269	V	33.8	Very low	39	Very low	129 Å²	129	147.8 Å²	147.8	78%	0.782	79%	0.789	S	S	*	*			trans	-168.7	165	172.6	73.7	0	0	0	0	117.3
270	T	38.4	Very low	38.9	Very low	107 Å²	107	146.4 Å²	146.4	66%	0.656	79%	0.793	S	S	*	*			trans	-151.2	178.3	-175.9	51.1	0	0	0	0	118.6	Y268	Y268-T270 HydrophobicContact CE2-CG2 3.82Å; Y268-T270 WeakPolarHBondContact OH-CG2 3.35Å
271	Q	33.1	Very low	39.4	Very low	183 Å²	183	140.3 Å²	140.3	86%	0.855	78%	0.783	S	S	*	*			trans	-155.3	177.2	-168.1	-78.8	178.3	-33.3	0	0	112.9
272	T	35.7	Very low	39.9	Very low	122 Å²	122	146.7 Å²	146.7	75%	0.748	79%	0.791	S	S	*	*			cis	-179.5	176.3	-13.1	35.9	0	0	0	0	109.8
273	V	39.2	Very low	40.6	Very low	133 Å²	133	145 Å²	145	81%	0.806	79%	0.787	S	S	*	*			cis	-178	143.6	-27.7	151.8	0	0	0	0	110.9
274	E	39	Very low	41.3	Very low	172 Å²	172	142.4 Å²	142.4	80%	0.804	78%	0.778	S	S	*	*			trans	-171.8	172.5	164	-160.7	45	-79.1	0	0	117.2
275	V	41.7	Very low	41.4	Very low	119 Å²	119	142.7 Å²	142.7	72%	0.721	78%	0.778	S	S	*	*			trans	-147.3	-173.2	-178.3	-115	0	0	0	0	115.8
276	E	41.1	Very low	42.1	Very low	158 Å²	158	145.4 Å²	145.4	74%	0.738	78%	0.78	S	S	*	*			cis	-156.6	-155.2	7.1	-132.3	-48	-78.9	0	0	115.2
277	S	42.4	Very low	42.8	Very low	93 Å²	93	144.5 Å²	144.5	65%	0.65	79%	0.785	S	S	*	*			trans	-146.1	175.3	-157.4	76.3	0	0	0	0	122.9
278	P	62.8	Low	43.3	Very low	128 Å²	128	145.8 Å²	145.8	83%	0.831	79%	0.785	S	S	*	*			trans	-140.1	-179.2	-172.6	43.2	-24.3	0	0	0	121.5
279	A	46.3	Very low	43.8	Very low	98 Å²	98	143.4 Å²	143.4	81%	0.81	78%	0.781	S	S	*	*			trans	-155	-173	179.3	0	0	0	0	0	114.9
280	T	46.2	Very low	43.6	Very low	141 Å²	141	149.2 Å²	149.2	87%	0.865	79%	0.789	S	S	*	*			cis	-167.7	156.3	16.1	-48.5	0	0	0	0	113.7
281	V	49.1	Very low	43.5	Very low	125 Å²	125	151.8 Å²	151.8	76%	0.758	80%	0.798	S	S	*	*			trans	-172	155	173.6	61.5	0	0	0	0	118.8
282	K	51.4	Low	43.4	Very low	202 Å²	202	151.5 Å²	151.5	88%	0.878	80%	0.797	S	S	*	*			trans	158.6	157.7	148	-84.8	150.4	-167	164.6	0	119.8
283	Q	48.5	Very low	43.5	Very low	185 Å²	185	152 Å²	152	86%	0.864	80%	0.8	S	S	*	*			trans	-171.9	164.7	170.8	-106.3	-64.9	2.3	0	0	117.4
284	L	46	Very low	43.7	Very low	130 Å²	130	154 Å²	154	68%	0.681	81%	0.805	S	S	*	*			trans	-170.5	125.1	-178.6	-144.7	68.5	0	0	0	125.3	K286	L284-K286 PolarHBondContact O-NZ 2.87Å
285	T	51.9	Low	44	Very low	110 Å²	110	150.6 Å²	150.6	68%	0.675	80%	0.8	S	S	*	*			trans	49.4	171.1	144	66.9	0	0	0	0	129
286	K	48.7	Very low	44.4	Very low	185 Å²	185	154.3 Å²	154.3	80%	0.804	81%	0.81	S	S	*	*			trans	137.6	137.6	143	-69.2	160.1	-133.7	84.3	0	120.7	L284	L284-K286 PolarHBondContact O-NZ 2.87Å
287	A	44.3	Very low	45.4	Very low	105 Å²	105	157.9 Å²	157.9	87%	0.868	82%	0.816	S	S	*	*			trans	-179	162.5	167.9	0	0	0	0	0	119.3
288	R	40.3	Very low	46.1	Very low	231 Å²	231	158.9 Å²	158.9	87%	0.872	81%	0.814	S	S	*	*			trans	-179.7	144.7	165.5	-113.9	-175.4	-168.7	-121.1	5.7	123.6
289	Q	39.8	Very low	45.6	Very low	156 Å²	156	157.9 Å²	157.9	73%	0.729	81%	0.81	S	S	*	*			trans	66.7	132.5	130.3	-171.5	177.2	-14.9	0	0	130.6
290	R	29.7	Very low	46	Very low	251 Å²	251	156.4 Å²	156.4	95%	0.947	80%	0.804	S	S	*	*			trans	-175	165.8	149.8	-113.6	178.5	-179.8	160.1	1.6	116.8
291	N	36.4	Very low	46.6	Very low	160 Å²	160	155.3 Å²	155.3	86%	0.856	79%	0.789	S	S	*	*			trans	-168.4	172.4	-173.8	-160.6	14.7	0	0	0	119.2
292	E	30.3	Very low	47.2	Very low	177 Å²	177	154.4 Å²	154.4	83%	0.827	78%	0.78	S	S	*	*			trans	137.7	158	147.5	-79	-167.5	160.7	0	0	123.5
293	V	38.4	Very low	47.5	Very low	134 Å²	134	151.2 Å²	151.2	81%	0.812	77%	0.768	S	S	*	*			trans	104.5	132.8	165.1	-175.7	0	0	0	0	122
294	L	43.8	Very low	47.9	Very low	173 Å²	173	152 Å²	152	91%	0.906	76%	0.763	S	S	*	*			trans	135.7	137.1	152.5	-78.2	176.1	0	0	0	115.1
295	S	44.3	Very low	48.6	Very low	101 Å²	101	148.6 Å²	148.6	71%	0.706	75%	0.749	S	S	*	*			trans	-147	-31.6	-174.2	-161	0	0	0	0	120.5	R297	S295-R297 PolarHBondContact O-N 3.25Å
296	E	50.7	Low	49.2	Very low	198 Å²	198	151.4 Å²	151.4	93%	0.925	75%	0.748	S	S	*	*			trans	-70	3.5	-163.8	-65.8	-175.3	126.7	0	0	117.9	L298	E296-L298 PolarHBondContact O-N 3.43Å
297	R	62.6	Low	49.7	Very low	233 Å²	233	150.2 Å²	150.2	88%	0.879	75%	0.745	S	S	*	*			trans	-78.5	11.8	-166	-142	175.3	-165.5	163.8	4.4	115.6	S295	S295-R297 PolarHBondContact O-N 3.25Å
298	L	55.8	Low	50.4	Low	114 Å²	114	149.9 Å²	149.9	60%	0.597	73%	0.728	S	S	*	*			trans	-91.1	-41	-151.7	-130.1	75.2	0	0	0	116.2	E296 G300 Q301	E296-L298 PolarHBondContact O-N 3.43Å; L298-G300 PolarHBondContact O-N 3.05Å; L298-Q301 PolarHBondContact O-N 2.94Å; L298-Q301 VanDerWaalsContact O-N 3.14Å
299	S	53.3	Low	51.4	Low	106 Å²	106	144.8 Å²	144.8	74%	0.741	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-63.3	-39.3	-163.6	57.8	0	0	0	0	114	Q301 N302	S299-Q301 PolarHBondContact O-N 3.16Å; S299-N302 PolarHBondContact O-N 3.28Å
300	G	54.2	Low	52.6	Low	67 Å²	67	142.4 Å²	142.4	69%	0.691	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-72.2	-4.7	179.2	0	0	0	0	0	115.6	L298	L298-G300 PolarHBondContact O-N 3.05Å
301	Q	59.5	Low	54	Low	118 Å²	118	137.2 Å²	137.2	55%	0.551	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-80.3	-29.1	174.6	-72.2	-170.6	-89.8	0	0	113	L298 S299 E303 R304	L298-Q301 PolarHBondContact O-N 2.94Å; L298-Q301 VanDerWaalsContact O-N 3.14Å; S299-Q301 PolarHBondContact O-N 3.16Å; Q301-E303 PolarHBondContact O-N 3.38Å; Q301-R304 WeakPolarHBondContact O-CB 3.37Å; Q301-R304 PolarHBondContact O-N 2.93Å; Q301-R304 VanDerWaalsContact O-N 3.09Å
302	N	60.8	Low	55.2	Low	106 Å²	106	134.1 Å²	134.1	57%	0.567	67%	0.672	S	S	*	*	H	α-helix	trans	-62.8	-37.8	-163.9	-75.1	-12.8	0	0	0	114.5	S299 R304 C305	S299-N302 PolarHBondContact O-N 3.28Å; N302-R304 PolarHBondContact O-N 3.27Å; N302-C305 WeakPolarHBondContact O-CB 3.44Å; N302-C305 PolarHBondContact O-N 2.86Å; N302-C305 VanDerWaalsContact O-N 3.08Å
303	E	57.1	Low	57	Low	135 Å²	135	133.1 Å²	133.1	63%	0.631	66%	0.66	S	S	*	*	H	α-helix	trans	-69.4	-19.6	-179.4	-138	65.3	-119.6	0	0	113.1	Q301 R306	Q301-E303 PolarHBondContact O-N 3.38Å; E303-R306 IonicContact OE1-NH1 3.62Å; E303-R306 PolarHBondContact OE1-NH1 3.08Å
304	R	58.6	Low	58.1	Low	203 Å²	203	133.3 Å²	133.3	77%	0.766	65%	0.65	S	S	*	*	H	α-helix	trans	-77.7	-22.9	171.9	-81.2	-179.6	167.1	149.9	-3.2	113.2	Q301 N302	Q301-R304 WeakPolarHBondContact O-CB 3.37Å; Q301-R304 PolarHBondContact O-N 2.93Å; Q301-R304 VanDerWaalsContact O-N 3.09Å; N302-R304 PolarHBondContact O-N 3.27Å
305	C	59.1	Low	58.8	Low	57 Å²	57	128.4 Å²	128.4	39%	0.385	63%	0.631	S	S	.	*	H	α-helix	trans	-65.9	-44	-177	-62	0	0	0	0	111.8	N302 Q307 L308 E309	N302-C305 WeakPolarHBondContact O-CB 3.44Å; N302-C305 PolarHBondContact O-N 2.86Å; N302-C305 VanDerWaalsContact O-N 3.08Å; C305-Q307 VanDerWaalsContact C-N 3.29Å; C305-Q307 PolarHBondContact O-N 2.86Å; C305-L308 WeakPolarHBondContact O-CB 3Å; C305-L308 PolarHBondContact O-N 3.18Å; C305-E309 PolarHBondContact O-N 2.93Å
306	R	65.3	Low	59.8	Low	170 Å²	170	128 Å²	128	64%	0.642	62%	0.621	S	S	*	*	H	α-helix	trans	-58.2	-33.8	-176.4	-77.2	178.6	169.8	146.9	-6.3	114.9	E303 L308 E309	E303-R306 IonicContact OE1-NH1 3.62Å; E303-R306 PolarHBondContact OE1-NH1 3.08Å; R306-L308 VanDerWaalsContact C-N 3.28Å; R306-L308 PolarHBondContact O-N 3.35Å; R306-E309 WeakPolarHBondContact CA-OE2 3.36Å
307	Q	58.7	Low	60.4	Low	159 Å²	159	125.4 Å²	125.4	74%	0.743	61%	0.609	S	S	*	*	H	α-helix	trans	-76.1	-17.3	179	-69.2	-173.1	-11.8	0	0	113.2	C305	C305-Q307 VanDerWaalsContact C-N 3.29Å; C305-Q307 PolarHBondContact O-N 2.86Å
308	L	60.2	Low	60.4	Low	98 Å²	98	122.5 Å²	122.5	51%	0.513	60%	0.599	S	S	.	*	H	α-helix	trans	-85.9	-33.8	176.1	-65.1	166.6	0	0	0	111.7	C305 R306 E310 Q311 I312	C305-L308 WeakPolarHBondContact O-CB 3Å; C305-L308 PolarHBondContact O-N 3.18Å; R306-L308 VanDerWaalsContact C-N 3.28Å; R306-L308 PolarHBondContact O-N 3.35Å; L308-E310 VanDerWaalsContact C-N 3.35Å; L308-E310 PolarHBondContact O-N 3.03Å; L308-Q311 PolarHBondContact O-N 3.47Å; L308-Q311 VanDerWaalsContact O-N 3.1Å; L308-I312 WeakPolarHBondContact O-CG1 3.48Å; L308-I312 PolarHBondContact O-N 3.42Å; L308-I312 VanDerWaalsContact O-N 3.13Å
309	E	61.4	Low	60.6	Low	125 Å²	125	119.5 Å²	119.5	58%	0.584	59%	0.587	S	S	*	*	H	α-helix	trans	-56.6	-43.2	-179.8	-68.2	171.6	153.5	0	0	112.7	C305 R306 Q311 I312 R313	C305-E309 PolarHBondContact O-N 2.93Å; R306-E309 WeakPolarHBondContact CA-OE2 3.36Å; E309-Q311 VanDerWaalsContact C-N 3.3Å; E309-Q311 PolarHBondContact O-N 3.03Å; E309-I312 PolarHBondContact O-N 2.92Å; E309-R313 PolarHBondContact O-N 3.12Å
310	E	64.1	Low	61.3	Low	105 Å²	105	117.6 Å²	117.6	49%	0.491	57%	0.573	S	S	.	*	H	α-helix	trans	-69.1	-24.1	179.2	-168.2	66.8	-135.4	0	0	113.2	L308 R313	L308-E310 VanDerWaalsContact C-N 3.35Å; L308-E310 PolarHBondContact O-N 3.03Å; E310-R313 IonicContact OE1-NH1 2.65Å
311	Q	59.3	Low	62	Low	142 Å²	142	119.8 Å²	119.8	66%	0.664	57%	0.569	S	S	*	*	H	α-helix	trans	-79.9	-40	174.6	-67.3	-168	-9.2	0	0	111.8	L308 E309 R313 K314	L308-Q311 PolarHBondContact O-N 3.47Å; L308-Q311 VanDerWaalsContact O-N 3.1Å; E309-Q311 VanDerWaalsContact C-N 3.3Å; E309-Q311 PolarHBondContact O-N 3.03Å; Q311-R313 PolarHBondContact O-N 2.94Å; Q311-K314 PolarHBondContact O-N 3.21Å
312	I	61.5	Low	62.3	Low	95 Å²	95	118.2 Å²	118.2	49%	0.487	56%	0.564	S	S	.	*	H	α-helix	trans	-58.5	-46.8	-179.6	-68.7	164.2	0	0	0	110.6	L308 E309 K314 S315 D316	L308-I312 WeakPolarHBondContact O-CG1 3.48Å; L308-I312 PolarHBondContact O-N 3.42Å; L308-I312 VanDerWaalsContact O-N 3.13Å; E309-I312 PolarHBondContact O-N 2.92Å; I312-K314 PolarHBondContact O-N 3.14Å; I312-S315 WeakPolarHBondContact O-CA 3.44Å; I312-S315 VanDerWaalsContact O-CB 3.3Å; I312-S315 WeakPolarHBondContact O-CB 3.23Å; I312-S315 PolarHBondContact O-N 3.21Å; I312-D316 PolarHBondContact O-N 3.1Å; I312-D316 VanDerWaalsContact O-N 3.14Å
313	R	68.7	Low	62.6	Low	156 Å²	156	119.3 Å²	119.3	59%	0.589	57%	0.566	S	S	*	*	H	α-helix	trans	-56	-32	-176.5	-154.5	-171.9	85.6	-157	4.3	114.2	E309 E310 Q311	E309-R313 PolarHBondContact O-N 3.12Å; E310-R313 IonicContact OE1-NH1 2.65Å; Q311-R313 PolarHBondContact O-N 2.94Å
314	K	62.2	Low	63.4	Low	138 Å²	138	119.6 Å²	119.6	60%	0.6	57%	0.567	S	S	*	*	H	α-helix	trans	-80	-22.5	177.6	-67.6	177.1	-177.8	170.7	0	113	Q311 I312	Q311-K314 PolarHBondContact O-N 3.21Å; I312-K314 PolarHBondContact O-N 3.14Å
315	S	57.9	Low	64.1	Low	71 Å²	71	116.9 Å²	116.9	50%	0.497	56%	0.56	S	S	.	*	H	α-helix	trans	-77.2	-36.5	173.8	-169.5	0	0	0	0	111.9	I312 Y318 S319	I312-S315 WeakPolarHBondContact O-CA 3.44Å; I312-S315 VanDerWaalsContact O-CB 3.3Å; I312-S315 WeakPolarHBondContact O-CB 3.23Å; I312-S315 PolarHBondContact O-N 3.21Å; S315-Y318 PolarHBondContact O-N 2.89Å; S315-S319 PolarHBondContact O-N 3.31Å; S315-S319 VanDerWaalsContact O-N 3.1Å; S315-S319 PolarHBondContact O-OG 2.94Å
316	D	65.4	Low	64.5	Low	93 Å²	93	118.5 Å²	118.5	50%	0.497	56%	0.564	S	S	.	*	H	α-helix	trans	-66.2	-42.6	-179.8	-62.2	-33.1	0	0	0	112	I312 Y318 S319 C320	I312-D316 PolarHBondContact O-N 3.1Å; I312-D316 VanDerWaalsContact O-N 3.14Å; D316-Y318 VanDerWaalsContact C-N 3.3Å; D316-Y318 PolarHBondContact O-N 3.35Å; D316-S319 WeakPolarHBondContact O-CB 3.41Å; D316-S319 PolarHBondContact O-N 3.43Å; D316-S319 VanDerWaalsContact O-N 3.1Å; D316-C320 PolarHBondContact O-N 3.44Å; D316-C320 VanDerWaalsContact O-N 3.08Å
317	E	62.3	Low	64.9	Low	143 Å²	143	112.2 Å²	112.2	67%	0.668	55%	0.549	S	S	*	.	H	α-helix	trans	-63.3	-33.8	-179.6	-162.7	166.6	-134.8	0	0	112.4
318	Y	64.2	Low	65.6	Low	172 Å²	172	106.7 Å²	106.7	68%	0.675	53%	0.531	S	S	*	.	H	α-helix	trans	-74	-38.6	172.4	-165.4	-100.5	0	0	0	112.3	S315 D316 C320 N321 L322	S315-Y318 PolarHBondContact O-N 2.89Å; D316-Y318 VanDerWaalsContact C-N 3.3Å; D316-Y318 PolarHBondContact O-N 3.35Å; Y318-C320 PolarHBondContact O-N 2.88Å; Y318-N321 PolarHBondContact O-N 3.38Å; Y318-L322 HydrophobicContact CD1-CD1 3.86Å; Y318-L322 HydrophobicContact CE1-CD1 3.57Å; Y318-L322 WeakPolarHBondContact O-CD1 3.5Å; Y318-L322 PolarHBondContact O-N 2.87Å
319	S	58.8	Low	66.4	Low	51 Å²	51	109.1 Å²	109.1	36%	0.357	53%	0.534	S	S	.	.	H	α-helix	trans	-64.2	-40.8	-178.2	-60.2	0	0	0	0	112.7	S315 D316 N321 L322 Q323	S315-S319 PolarHBondContact O-N 3.31Å; S315-S319 VanDerWaalsContact O-N 3.1Å; S315-S319 PolarHBondContact O-OG 2.94Å; D316-S319 WeakPolarHBondContact O-CB 3.41Å; D316-S319 PolarHBondContact O-N 3.43Å; D316-S319 VanDerWaalsContact O-N 3.1Å; S319-N321 VanDerWaalsContact C-N 3.27Å; S319-N321 PolarHBondContact O-N 3.36Å; S319-L322 PolarHBondContact O-N 2.89Å; S319-Q323 WeakPolarHBondContact O-CG 3.01Å; S319-Q323 PolarHBondContact O-N 2.8Å; S319-Q323 VanDerWaalsContact O-N 3.17Å
320	C	67.9	Low	67	Low	65 Å²	65	108.6 Å²	108.6	44%	0.439	53%	0.532	S	S	.	.	H	α-helix	trans	-58.7	-36.7	177.1	-174.8	0	0	0	0	112.9	D316 Y318 Q323 H324	D316-C320 PolarHBondContact O-N 3.44Å; D316-C320 VanDerWaalsContact O-N 3.08Å; Y318-C320 PolarHBondContact O-N 2.88Å; C320-Q323 PolarHBondContact O-N 3.1Å; C320-H324 PolarHBondContact O-N 2.97Å
321	N	68.8	Low	67.7	Low	113 Å²	113	112 Å²	112	60%	0.604	54%	0.54	S	S	*	.	H	α-helix	trans	-70.2	-33.3	178.9	-109	-61.2	0	0	0	113.2	Y318 S319	Y318-N321 PolarHBondContact O-N 3.38Å; S319-N321 VanDerWaalsContact C-N 3.27Å; S319-N321 PolarHBondContact O-N 3.36Å
322	L	66.1	Low	68.6	Low	86 Å²	86	110.9 Å²	110.9	45%	0.45	54%	0.535	S	S	.	.	H	α-helix	trans	-70.8	-41.7	173.2	-88.3	80.7	0	0	0	111.5	Y318 S319 H324 K325 I326	Y318-L322 HydrophobicContact CD1-CD1 3.86Å; Y318-L322 HydrophobicContact CE1-CD1 3.57Å; Y318-L322 WeakPolarHBondContact O-CD1 3.5Å; Y318-L322 PolarHBondContact O-N 2.87Å; S319-L322 PolarHBondContact O-N 2.89Å; L322-H324 VanDerWaalsContact C-N 3.3Å; L322-H324 PolarHBondContact O-N 3.17Å; L322-K325 PolarHBondContact O-N 3.42Å; L322-K325 VanDerWaalsContact O-N 3.07Å; L322-I326 WeakPolarHBondContact O-CG1 3.49Å; L322-I326 PolarHBondContact O-N 3.44Å
323	Q	67	Low	69.2	Low	128 Å²	128	110.7 Å²	110.7	60%	0.598	53%	0.534	S	S	*	.	H	α-helix	trans	-57	-41.9	179.5	-72.1	172.9	-13.6	0	0	112.2	S319 C320 K325 I326 A327	S319-Q323 WeakPolarHBondContact O-CG 3.01Å; S319-Q323 PolarHBondContact O-N 2.8Å; S319-Q323 VanDerWaalsContact O-N 3.17Å; C320-Q323 PolarHBondContact O-N 3.1Å; Q323-K325 VanDerWaalsContact C-N 3.32Å; Q323-K325 PolarHBondContact O-N 2.99Å; Q323-I326 PolarHBondContact O-N 2.78Å; Q323-A327 WeakPolarHBondContact O-CB 3.5Å; Q323-A327 PolarHBondContact O-N 3.19Å
324	H	73.6	Confident	69.5	Low	142 Å²	142	106.6 Å²	106.6	66%	0.657	53%	0.529	S	S	*	.	H	α-helix	trans	-61.9	-34.3	176.3	-95.7	81.5	0	0	0	113.9	C320 L322 A328	C320-H324 PolarHBondContact O-N 2.97Å; L322-H324 VanDerWaalsContact C-N 3.3Å; L322-H324 PolarHBondContact O-N 3.17Å; H324-A328 PolarHBondContact O-N 2.71Å
325	K	72.9	Confident	70.5	Confident	145 Å²	145	105.5 Å²	105.5	63%	0.63	53%	0.526	S	S	*	.	H	α-helix	trans	-76.1	-39.2	176.7	-70.6	-174.6	177.7	-179.2	0	112.3	L322 Q323 A328 Y329	L322-K325 PolarHBondContact O-N 3.42Å; L322-K325 VanDerWaalsContact O-N 3.07Å; Q323-K325 VanDerWaalsContact C-N 3.32Å; Q323-K325 PolarHBondContact O-N 2.99Å; K325-A328 WeakPolarHBondContact O-CB 3.36Å; K325-A328 PolarHBondContact O-N 3.11Å; K325-Y329 WeakPolarHBondContact O-CD2 3.41Å; K325-Y329 PolarHBondContact O-N 3.48Å
326	I	68.9	Low	71.5	Confident	91 Å²	91	107.1 Å²	107.1	47%	0.467	53%	0.528	S	S	.	.	H	α-helix	trans	-59.7	-51.4	175.5	-67.3	165.1	0	0	0	109.7	L322 Q323 A328 Y329 E330	L322-I326 WeakPolarHBondContact O-CG1 3.49Å; L322-I326 PolarHBondContact O-N 3.44Å; Q323-I326 PolarHBondContact O-N 2.78Å; I326-A328 PolarHBondContact O-N 2.92Å; I326-Y329 PolarHBondContact O-N 2.92Å; I326-Y329 VanDerWaalsContact O-N 3.17Å; I326-E330 HydrophobicContact CG2-CG 4.21Å; I326-E330 WeakPolarHBondContact O-CG 3.29Å; I326-E330 PolarHBondContact O-N 2.95Å
327	A	72.7	Confident	71.9	Confident	38 Å²	38	110.8 Å²	110.8	31%	0.314	54%	0.535	S	S	.	.	H	α-helix	trans	-64.2	-11.6	179.5	0	0	0	0	0	114.4	Q323 R331	Q323-A327 WeakPolarHBondContact O-CB 3.5Å; Q323-A327 PolarHBondContact O-N 3.19Å; A327-R331 PolarHBondContact O-NE 2.74Å; A327-R331 PolarHBondContact O-NH2 3.22Å
328	A	73.2	Confident	72.8	Confident	44 Å²	44	109.3 Å²	109.3	36%	0.364	53%	0.528	S	S	.	.	H	α-helix	trans	-83.3	-53	170.9	0	0	0	0	0	111.2	H324 K325 I326 E330 R331 E332	H324-A328 PolarHBondContact O-N 2.71Å; K325-A328 WeakPolarHBondContact O-CB 3.36Å; K325-A328 PolarHBondContact O-N 3.11Å; I326-A328 PolarHBondContact O-N 2.92Å; A328-E330 VanDerWaalsContact C-N 3.3Å; A328-E330 PolarHBondContact O-N 3.05Å; A328-R331 PolarHBondContact O-N 3.06Å; A328-R331 VanDerWaalsContact O-N 3.17Å; A328-E332 PolarHBondContact O-N 3.27Å
329	Y	77.6	Confident	73.7	Confident	149 Å²	149	106 Å²	106	58%	0.584	52%	0.519	S	S	*	.	H	α-helix	trans	-63.7	-32.6	178.8	-66.4	-53.7	0	0	0	112.9	K325 I326 R331 E332 I333	K325-Y329 WeakPolarHBondContact O-CD2 3.41Å; K325-Y329 PolarHBondContact O-N 3.48Å; I326-Y329 PolarHBondContact O-N 2.92Å; I326-Y329 VanDerWaalsContact O-N 3.17Å; Y329-R331 VanDerWaalsContact C-N 3.26Å; Y329-R331 PolarHBondContact O-N 2.75Å; Y329-E332 PolarHBondContact O-N 2.7Å; Y329-I333 WeakPolarHBondContact O-CB 3.47Å; Y329-I333 VanDerWaalsContact O-CG1 3.3Å; Y329-I333 WeakPolarHBondContact O-CG1 3.46Å; Y329-I333 PolarHBondContact O-N 3.2Å
330	E	74.5	Confident	74.7	Confident	114 Å²	114	108.6 Å²	108.6	53%	0.533	53%	0.528	S	S	.	.	H	α-helix	trans	-60.5	-33.7	175.6	-74.1	175.6	150.2	0	0	113	I326 A328 S334	I326-E330 HydrophobicContact CG2-CG 4.21Å; I326-E330 WeakPolarHBondContact O-CG 3.29Å; I326-E330 PolarHBondContact O-N 2.95Å; A328-E330 VanDerWaalsContact C-N 3.3Å; A328-E330 PolarHBondContact O-N 3.05Å; E330-S334 WeakPolarHBondContact O-CB 3.29Å; E330-S334 PolarHBondContact O-N 2.88Å; E330-S334 VanDerWaalsContact O-N 3.14Å; E330-S334 PolarHBondContact O-OG 2.84Å
331	R	78.1	Confident	75.3	Confident	175 Å²	175	111.3 Å²	111.3	66%	0.66	54%	0.538	S	S	*	.	H	α-helix	trans	-71.9	-42.1	175	-82.9	173.5	-82.6	153.2	-7.1	111.9	A327 A328 Y329 S334 H335	A327-R331 PolarHBondContact O-NE 2.74Å; A327-R331 PolarHBondContact O-NH2 3.22Å; A328-R331 PolarHBondContact O-N 3.06Å; A328-R331 VanDerWaalsContact O-N 3.17Å; Y329-R331 VanDerWaalsContact C-N 3.26Å; Y329-R331 PolarHBondContact O-N 2.75Å; R331-S334 WeakPolarHBondContact O-CB 3.38Å; R331-S334 PolarHBondContact O-N 3.49Å; R331-H335 PolarHBondContact O-N 2.87Å
332	E	79.4	Confident	76	Confident	119 Å²	119	111.9 Å²	111.9	56%	0.556	54%	0.535	S	S	*	.	H	α-helix	trans	-66.1	-43.7	179.8	-164	166.3	-132	0	0	111.8	A328 Y329 S334 H335 L336	A328-E332 PolarHBondContact O-N 3.27Å; Y329-E332 PolarHBondContact O-N 2.7Å; E332-S334 VanDerWaalsContact C-N 3.29Å; E332-S334 PolarHBondContact O-N 3.47Å; E332-H335 PolarHBondContact O-N 2.87Å; E332-L336 PolarHBondContact O-N 3.48Å; E332-L336 VanDerWaalsContact O-N 3.14Å
333	I	73.2	Confident	76.7	Confident	92 Å²	92	113.7 Å²	113.7	47%	0.472	54%	0.541	S	S	.	.	H	α-helix	trans	-61.6	-37	172.3	-68.6	166.1	0	0	0	111.6	Y329 R337	Y329-I333 WeakPolarHBondContact O-CB 3.47Å; Y329-I333 VanDerWaalsContact O-CG1 3.3Å; Y329-I333 WeakPolarHBondContact O-CG1 3.46Å; Y329-I333 PolarHBondContact O-N 3.2Å; I333-R337 WeakPolarHBondContact O-CG 3.34Å; I333-R337 PolarHBondContact O-N 2.98Å
334	S	75.4	Confident	77.2	Confident	70 Å²	70	111.2 Å²	111.2	49%	0.49	53%	0.531	S	S	.	.	H	α-helix	trans	-68	-40.3	178	-61.6	0	0	0	0	111.9	E330 R331 E332 R337 E338	E330-S334 WeakPolarHBondContact O-CB 3.29Å; E330-S334 PolarHBondContact O-N 2.88Å; E330-S334 VanDerWaalsContact O-N 3.14Å; E330-S334 PolarHBondContact O-OG 2.84Å; R331-S334 WeakPolarHBondContact O-CB 3.38Å; R331-S334 PolarHBondContact O-N 3.49Å; E332-S334 VanDerWaalsContact C-N 3.29Å; E332-S334 PolarHBondContact O-N 3.47Å; S334-R337 PolarHBondContact O-N 3.1Å; S334-E338 PolarHBondContact O-N 2.81Å
335	H	82	Confident	77.5	Confident	114 Å²	114	106.1 Å²	106.1	53%	0.528	52%	0.517	S	S	.	.	H	α-helix	trans	-65.1	-49.4	178.3	-170.8	26.6	0	0	0	112	R331 E332 R337 E338 E339	R331-H335 PolarHBondContact O-N 2.87Å; E332-H335 PolarHBondContact O-N 2.87Å; H335-R337 VanDerWaalsContact C-N 3.28Å; H335-R337 PolarHBondContact O-N 3.11Å; H335-E338 WeakPolarHBondContact O-CB 3.44Å; H335-E338 PolarHBondContact O-N 3.24Å; H335-E339 PolarHBondContact O-N 2.73Å; H335-E339 VanDerWaalsContact O-N 3.14Å
336	L	78.6	Confident	77.9	Confident	106 Å²	106	103.5 Å²	103.5	56%	0.555	51%	0.507	S	S	*	.	H	α-helix	trans	-61.5	-33.7	178.8	-72	168.2	0	0	0	113.1	E332 E338 L340	E332-L336 PolarHBondContact O-N 3.48Å; E332-L336 VanDerWaalsContact O-N 3.14Å; L336-E338 VanDerWaalsContact C-N 3.33Å; L336-L340 WeakPolarHBondContact O-CB 3.04Å; L336-L340 PolarHBondContact O-N 2.81Å; L336-L340 VanDerWaalsContact O-N 3.08Å
337	R	75.5	Confident	78.4	Confident	170 Å²	170	104.2 Å²	104.2	64%	0.642	51%	0.511	S	S	*	.	H	α-helix	trans	-64.1	-38	172.2	-81.7	175.5	167.8	177.4	-2.8	112.5	I333 S334 H335 L341	I333-R337 WeakPolarHBondContact O-CG 3.34Å; I333-R337 PolarHBondContact O-N 2.98Å; S334-R337 PolarHBondContact O-N 3.1Å; H335-R337 VanDerWaalsContact C-N 3.28Å; H335-R337 PolarHBondContact O-N 3.11Å; R337-L341 VanDerWaalsContact O-CG 3.32Å; R337-L341 WeakPolarHBondContact O-CG 3.39Å; R337-L341 PolarHBondContact O-N 3.3Å; R337-L341 VanDerWaalsContact O-N 3.12Å
338	E	81.3	Confident	78.6	Confident	112 Å²	112	107.9 Å²	107.9	52%	0.523	52%	0.522	S	S	.	.	H	α-helix	trans	-74.5	-29.9	-178	-151.2	-166.8	-115.7	0	0	112.5	S334 H335 L336 K342	S334-E338 PolarHBondContact O-N 2.81Å; H335-E338 WeakPolarHBondContact O-CB 3.44Å; H335-E338 PolarHBondContact O-N 3.24Å; L336-E338 VanDerWaalsContact C-N 3.33Å; E338-K342 VanDerWaalsContact O-CD 3.27Å; E338-K342 WeakPolarHBondContact O-CD 3.48Å; E338-K342 WeakPolarHBondContact O-CE 3.42Å; E338-K342 VanDerWaalsContact O-CG 3.3Å; E338-K342 WeakPolarHBondContact O-CG 3.35Å; E338-K342 IonicContact OE2-NZ 2.94Å; E338-K342 PolarHBondContact OE2-NZ 2.99Å
339	E	82.3	Confident	79	Confident	103 Å²	103	112 Å²	112	48%	0.481	53%	0.533	S	S	.	.	H	α-helix	trans	-70.1	-49.1	169.4	-64.8	-168.2	127	0	0	111.6	H335 L341 K342 E343	H335-E339 PolarHBondContact O-N 2.73Å; H335-E339 VanDerWaalsContact O-N 3.14Å; E339-L341 VanDerWaalsContact C-N 3.28Å; E339-L341 PolarHBondContact O-N 3.29Å; E339-K342 WeakPolarHBondContact O-CB 3.15Å; E339-K342 PolarHBondContact O-N 3.05Å; E339-E343 PolarHBondContact O-N 2.85Å; E339-E343 VanDerWaalsContact O-N 3.1Å
340	L	79	Confident	79.1	Confident	104 Å²	104	110.1 Å²	110.1	55%	0.545	53%	0.528	S	S	.	.	H	α-helix	trans	-58.7	-38.7	-179.2	-172.6	68.5	0	0	0	112.4	L336 E343 I344	L336-L340 WeakPolarHBondContact O-CB 3.04Å; L336-L340 PolarHBondContact O-N 2.81Å; L336-L340 VanDerWaalsContact O-N 3.08Å; L340-E343 PolarHBondContact O-N 3.36Å; L340-I344 HydrophobicContact CG-CD1 4Å; L340-I344 VanDerWaalsContact O-CG1 3.27Å; L340-I344 WeakPolarHBondContact O-CG1 3.21Å; L340-I344 PolarHBondContact O-N 3.49Å
341	L	82.2	Confident	79.4	Confident	122 Å²	122	110.9 Å²	110.9	64%	0.639	53%	0.53	S	S	*	.	H	α-helix	trans	-65.3	-35.4	176.2	-75.9	168.9	0	0	0	113.1	R337 E339 G345	R337-L341 VanDerWaalsContact O-CG 3.32Å; R337-L341 WeakPolarHBondContact O-CG 3.39Å; R337-L341 PolarHBondContact O-N 3.3Å; R337-L341 VanDerWaalsContact O-N 3.12Å; E339-L341 VanDerWaalsContact C-N 3.28Å; E339-L341 PolarHBondContact O-N 3.29Å; L341-G345 PolarHBondContact O-N 3.49Å
342	K	81.7	Confident	79.4	Confident	126 Å²	126	106.9 Å²	106.9	55%	0.548	52%	0.518	S	S	.	.	H	α-helix	trans	-68.5	-41.4	176.2	-68.4	161.7	-168	157.7	0	111	E338 E339 G345 H346	E338-K342 VanDerWaalsContact O-CD 3.27Å; E338-K342 WeakPolarHBondContact O-CD 3.48Å; E338-K342 WeakPolarHBondContact O-CE 3.42Å; E338-K342 VanDerWaalsContact O-CG 3.3Å; E338-K342 WeakPolarHBondContact O-CG 3.35Å; E338-K342 IonicContact OE2-NZ 2.94Å; E338-K342 PolarHBondContact OE2-NZ 2.99Å; E339-K342 WeakPolarHBondContact O-CB 3.15Å; E339-K342 PolarHBondContact O-N 3.05Å; K342-G345 PolarHBondContact O-N 3.49Å; K342-H346 PolarHBondContact O-N 3.44Å
343	E	81.7	Confident	79.5	Confident	123 Å²	123	107.6 Å²	107.6	58%	0.575	52%	0.522	S	S	*	.	H	α-helix	trans	-70.2	-38.7	179	-170.2	161.7	-146.3	0	0	112.5	E339 L340 H346 L347	E339-E343 PolarHBondContact O-N 2.85Å; E339-E343 VanDerWaalsContact O-N 3.1Å; L340-E343 PolarHBondContact O-N 3.36Å; E343-H346 PolarHBondContact O-N 2.97Å; E343-L347 HydrophobicContact CG-CD1 4.33Å; E343-L347 WeakPolarHBondContact O-CG 3.23Å; E343-L347 PolarHBondContact O-N 3.32Å
344	I	76.6	Confident	79.7	Confident	76 Å²	76	106.1 Å²	106.1	39%	0.39	52%	0.523	S	S	.	.	H	α-helix	trans	-58.1	-50.3	172.1	-71.4	165.9	0	0	0	110.9	L340 H346 L347 E348	L340-I344 HydrophobicContact CG-CD1 4Å; L340-I344 VanDerWaalsContact O-CG1 3.27Å; L340-I344 WeakPolarHBondContact O-CG1 3.21Å; L340-I344 PolarHBondContact O-N 3.49Å; I344-H346 VanDerWaalsContact C-N 3.34Å; I344-H346 PolarHBondContact O-N 3.16Å; I344-L347 PolarHBondContact O-N 3.4Å; I344-L347 VanDerWaalsContact O-N 3.1Å; I344-E348 HydrophobicContact CG2-CG 4.41Å; I344-E348 PolarHBondContact O-N 3.03Å
345	G	80.6	Confident	79.9	Confident	35 Å²	35	106.8 Å²	106.8	36%	0.361	52%	0.524	S	S	.	.	H	α-helix	trans	-59.2	-42	-179.1	0	0	0	0	0	113.4	L341 K342 L347 E348 E349	L341-G345 PolarHBondContact O-N 3.49Å; K342-G345 PolarHBondContact O-N 3.49Å; G345-L347 VanDerWaalsContact C-N 3.33Å; G345-L347 PolarHBondContact O-N 2.96Å; G345-E348 PolarHBondContact O-N 2.91Å; G345-E349 PolarHBondContact O-N 3.14Å
346	H	81.9	Confident	79.8	Confident	91 Å²	91	107.2 Å²	107.2	42%	0.421	53%	0.525	S	S	.	.	H	α-helix	trans	-67.9	-28.1	176.6	172	-131.8	0	0	0	113.5	K342 E343 I344 K350	K342-H346 PolarHBondContact O-N 3.44Å; E343-H346 PolarHBondContact O-N 2.97Å; I344-H346 VanDerWaalsContact C-N 3.34Å; I344-H346 PolarHBondContact O-N 3.16Å; H346-K350 PolarHBondContact CE1-NZ 2.73Å; H346-K350 VanDerWaalsContact NE2-CE 3.31Å; H346-K350 WeakPolarHBondContact NE2-CE 3.47Å; H346-K350 PolarHBondContact NE2-NZ 2.75Å; H346-K350 WeakPolarHBondContact O-CG 3.4Å; H346-K350 PolarHBondContact O-N 3.19Å
347	L	78.4	Confident	79.8	Confident	106 Å²	106	105.2 Å²	105.2	56%	0.555	52%	0.523	S	S	*	.	H	α-helix	trans	-76.6	-36.2	171.3	-71.4	170.4	0	0	0	112.3	E343 I344 G345 K351	E343-L347 HydrophobicContact CG-CD1 4.33Å; E343-L347 WeakPolarHBondContact O-CG 3.23Å; E343-L347 PolarHBondContact O-N 3.32Å; I344-L347 PolarHBondContact O-N 3.4Å; I344-L347 VanDerWaalsContact O-N 3.1Å; G345-L347 VanDerWaalsContact C-N 3.33Å; G345-L347 PolarHBondContact O-N 2.96Å; L347-K351 WeakPolarHBondContact O-CB 3.42Å; L347-K351 PolarHBondContact O-N 3.06Å
348	E	76.5	Confident	79.7	Confident	114 Å²	114	100.2 Å²	100.2	53%	0.533	52%	0.518	S	S	.	.	H	α-helix	trans	-67.5	-41	175.2	-69.4	-165	129.2	0	0	112.3	I344 G345 K351 E352	I344-E348 HydrophobicContact CG2-CG 4.41Å; I344-E348 PolarHBondContact O-N 3.03Å; G345-E348 PolarHBondContact O-N 2.91Å; E348-K351 WeakPolarHBondContact O-CB 3.19Å; E348-K351 PolarHBondContact O-N 2.81Å; E348-E352 WeakPolarHBondContact O-CB 3.4Å; E348-E352 PolarHBondContact O-N 3.31Å
349	E	82.8	Confident	79.4	Confident	131 Å²	131	97.8 Å²	97.8	61%	0.612	52%	0.517	S	S	*	.	H	α-helix	trans	-59.9	-48.8	175.1	-173.4	168.7	-135.9	0	0	111.6	G345 K351 E352 E353	G345-E349 PolarHBondContact O-N 3.14Å; E349-K351 PolarHBondContact O-N 2.89Å; E349-E352 WeakPolarHBondContact O-CB 3.38Å; E349-E352 PolarHBondContact O-N 3.04Å; E349-E352 VanDerWaalsContact O-N 3.14Å; E349-E353 PolarHBondContact O-N 2.86Å
350	K	79.6	Confident	79.2	Confident	109 Å²	109	96.2 Å²	96.2	47%	0.474	52%	0.518	S	S	.	.	H	α-helix	trans	-63.3	-36.8	177	-78.4	176	168.6	168.2	0	113.8	H346 A354	H346-K350 PolarHBondContact CE1-NZ 2.73Å; H346-K350 VanDerWaalsContact NE2-CE 3.31Å; H346-K350 WeakPolarHBondContact NE2-CE 3.47Å; H346-K350 PolarHBondContact NE2-NZ 2.75Å; H346-K350 WeakPolarHBondContact O-CG 3.4Å; H346-K350 PolarHBondContact O-N 3.19Å; K350-A354 WeakPolarHBondContact O-CB 3.5Å; K350-A354 PolarHBondContact O-N 2.87Å
351	K	80.6	Confident	79.3	Confident	131 Å²	131	95.2 Å²	95.2	57%	0.57	52%	0.519	S	S	*	.	H	α-helix	trans	-62.1	-45.1	172.7	167	-164.6	161.8	-155.2	0	110.6	L347 E348 E349 A354 V355	L347-K351 WeakPolarHBondContact O-CB 3.42Å; L347-K351 PolarHBondContact O-N 3.06Å; E348-K351 WeakPolarHBondContact O-CB 3.19Å; E348-K351 PolarHBondContact O-N 2.81Å; E349-K351 PolarHBondContact O-N 2.89Å; K351-A354 PolarHBondContact O-N 2.7Å; K351-V355 VanDerWaalsContact O-CG2 3.32Å; K351-V355 WeakPolarHBondContact O-CG2 3.25Å; K351-V355 PolarHBondContact O-N 3.02Å
352	E	78.9	Confident	78.7	Confident	90 Å²	90	93.2 Å²	93.2	42%	0.421	52%	0.515	S	S	.	.	H	α-helix	trans	-67	-39.1	-178	-176.3	65.9	-169.2	0	0	112.1	E348 E349 K356	E348-E352 WeakPolarHBondContact O-CB 3.4Å; E348-E352 PolarHBondContact O-N 3.31Å; E349-E352 WeakPolarHBondContact O-CB 3.38Å; E349-E352 PolarHBondContact O-N 3.04Å; E349-E352 VanDerWaalsContact O-N 3.14Å; E352-K356 HydrophobicContact CG-CD 4.48Å; E352-K356 WeakPolarHBondContact O-CG 3.08Å; E352-K356 PolarHBondContact O-N 2.76Å; E352-K356 VanDerWaalsContact O-N 3.15Å; E352-K356 WeakPolarHBondContact OE1-CE 3.07Å; E352-K356 IonicContact OE1-NZ 3.82Å; E352-K356 PolarHBondContact OE1-NZ 3.44Å
353	E	81.1	Confident	78.5	Confident	135 Å²	135	90 Å²	90	63%	0.631	51%	0.512	S	S	*	.	H	α-helix	trans	-62	-47.8	169.7	-71.1	-165.5	126.8	0	0	112.3	E349 V355 K356 A357	E349-E353 PolarHBondContact O-N 2.86Å; E353-V355 VanDerWaalsContact C-N 3.32Å; E353-V355 PolarHBondContact O-N 3.5Å; E353-K356 PolarHBondContact O-N 2.98Å; E353-A357 PolarHBondContact O-N 3.32Å
354	A	77.6	Confident	78.4	Confident	60 Å²	60	90.8 Å²	90.8	50%	0.496	52%	0.515	S	S	.	.	H	α-helix	trans	-61.6	-39	-179.6	0	0	0	0	0	112.5	K350 K351 A358	K350-A354 WeakPolarHBondContact O-CB 3.5Å; K350-A354 PolarHBondContact O-N 2.87Å; K351-A354 PolarHBondContact O-N 2.7Å; A354-A358 WeakPolarHBondContact O-CB 3.4Å; A354-A358 PolarHBondContact O-N 3.21Å
355	V	78.6	Confident	78.7	Confident	84 Å²	84	93.3 Å²	93.3	51%	0.509	53%	0.525	S	S	.	.	H	α-helix	trans	-64.6	-43.1	174.9	168.9	0	0	0	0	111.3	K351 E353 A358 A359	K351-V355 VanDerWaalsContact O-CG2 3.32Å; K351-V355 WeakPolarHBondContact O-CG2 3.25Å; K351-V355 PolarHBondContact O-N 3.02Å; E353-V355 VanDerWaalsContact C-N 3.32Å; E353-V355 PolarHBondContact O-N 3.5Å; V355-A358 PolarHBondContact O-N 2.93Å; V355-A359 WeakPolarHBondContact O-CB 3.39Å; V355-A359 PolarHBondContact O-N 3.07Å
356	K	80.3	Confident	78.6	Confident	124 Å²	124	97.9 Å²	97.9	54%	0.539	54%	0.535	S	S	.	.	H	α-helix	trans	-64.7	-43.2	177.2	-75.3	165.9	-177.5	155.5	0	112.3	E352 E353 A359 S360	E352-K356 HydrophobicContact CG-CD 4.48Å; E352-K356 WeakPolarHBondContact O-CG 3.08Å; E352-K356 PolarHBondContact O-N 2.76Å; E352-K356 VanDerWaalsContact O-N 3.15Å; E352-K356 WeakPolarHBondContact OE1-CE 3.07Å; E352-K356 IonicContact OE1-NZ 3.82Å; E352-K356 PolarHBondContact OE1-NZ 3.44Å; E353-K356 PolarHBondContact O-N 2.98Å; K356-A359 PolarHBondContact O-N 3.3Å; K356-S360 PolarHBondContact O-N 2.86Å
357	A	78	Confident	78.6	Confident	64 Å²	64	99.5 Å²	99.5	53%	0.529	54%	0.543	S	S	.	.	H	α-helix	trans	-61.4	-45.7	175.8	0	0	0	0	0	112	E353 S360 C361	E353-A357 PolarHBondContact O-N 3.32Å; A357-S360 PolarHBondContact O-N 2.88Å; A357-C361 WeakPolarHBondContact O-CB 3.21Å; A357-C361 PolarHBondContact O-N 3.47Å
358	A	74.3	Confident	78.9	Confident	64 Å²	64	98.6 Å²	98.6	53%	0.529	54%	0.539	S	S	.	.	H	α-helix	trans	-63.5	-41.4	177.1	0	0	0	0	0	112.6	A354 V355 S362	A354-A358 WeakPolarHBondContact O-CB 3.4Å; A354-A358 PolarHBondContact O-N 3.21Å; V355-A358 PolarHBondContact O-N 2.93Å; A358-S362 WeakPolarHBondContact O-CB 3.46Å; A358-S362 PolarHBondContact O-N 3.44Å
359	A	75.8	Confident	79.1	Confident	61 Å²	61	96.6 Å²	96.6	50%	0.504	53%	0.531	S	S	.	.	H	α-helix	trans	-62.9	-44.3	176.7	0	0	0	0	0	112.1	V355 K356 S362 A363	V355-A359 WeakPolarHBondContact O-CB 3.39Å; V355-A359 PolarHBondContact O-N 3.07Å; K356-A359 PolarHBondContact O-N 3.3Å; A359-S362 PolarHBondContact O-N 3.45Å; A359-A363 PolarHBondContact O-N 3Å
360	S	77.4	Confident	79.1	Confident	70 Å²	70	95.8 Å²	95.8	49%	0.49	53%	0.528	S	S	.	.	H	α-helix	trans	-63.1	-46.2	177.9	-164.5	0	0	0	0	112.1	K356 A357 S362 A363 E364	K356-S360 PolarHBondContact O-N 2.86Å; A357-S360 PolarHBondContact O-N 2.88Å; S360-S362 VanDerWaalsContact C-N 3.34Å; S360-S362 PolarHBondContact O-N 3.49Å; S360-A363 PolarHBondContact O-N 3.21Å; S360-E364 PolarHBondContact O-N 2.91Å; S360-E364 VanDerWaalsContact O-N 3.12Å
361	C	80.1	Confident	79.3	Confident	84 Å²	84	95.1 Å²	95.1	57%	0.568	53%	0.529	S	S	*	.	H	α-helix	trans	-63.2	-39.7	178.6	-175.5	0	0	0	0	112.2	A357 H365	A357-C361 WeakPolarHBondContact O-CB 3.21Å; A357-C361 PolarHBondContact O-N 3.47Å; C361-H365 WeakPolarHBondContact O-CB 3.48Å; C361-H365 PolarHBondContact O-N 2.94Å; C361-H365 VanDerWaalsContact O-N 3.1Å
362	S	70.1	Confident	79.6	Confident	79 Å²	79	94 Å²	94	55%	0.552	53%	0.526	S	S	*	.	H	α-helix	trans	-63.1	-40.7	175.1	-170.1	0	0	0	0	112.3	A358 A359 S360 H365 F366	A358-S362 WeakPolarHBondContact O-CB 3.46Å; A358-S362 PolarHBondContact O-N 3.44Å; A359-S362 PolarHBondContact O-N 3.45Å; S360-S362 VanDerWaalsContact C-N 3.34Å; S360-S362 PolarHBondContact O-N 3.49Å; S362-H365 PolarHBondContact O-N 2.9Å; S362-F366 WeakPolarHBondContact O-CB 3.48Å; S362-F366 PolarHBondContact O-N 3.43Å
363	A	77.8	Confident	79.9	Confident	59 Å²	59	96.7 Å²	96.7	49%	0.488	54%	0.537	S	S	.	.	H	α-helix	trans	-64.3	-48.1	178.2	0	0	0	0	0	112.6	A359 S360 H365 F366 Q367	A359-A363 PolarHBondContact O-N 3Å; S360-A363 PolarHBondContact O-N 3.21Å; A363-H365 VanDerWaalsContact C-N 3.33Å; A363-H365 PolarHBondContact O-N 2.93Å; A363-F366 PolarHBondContact O-N 2.87Å; A363-Q367 WeakPolarHBondContact O-CB 3.46Å; A363-Q367 PolarHBondContact O-N 3.05Å
364	E	80.2	Confident	80.2	Confident	139 Å²	139	95.2 Å²	95.2	65%	0.65	53%	0.528	S	S	*	.	H	α-helix	trans	-59.9	-42.6	175.9	-70.2	-172.1	139.5	0	0	112	S360 Q367 N368	S360-E364 PolarHBondContact O-N 2.91Å; S360-E364 VanDerWaalsContact O-N 3.12Å; E364-Q367 PolarHBondContact O-N 3.18Å; E364-N368 WeakPolarHBondContact O-CB 3.41Å; E364-N368 PolarHBondContact O-N 3.37Å
365	H	81.5	Confident	80.6	Confident	129 Å²	129	95.6 Å²	95.6	60%	0.597	53%	0.525	S	S	*	.	H	α-helix	trans	-64.6	-42.6	178.9	-169.3	71.1	0	0	0	112.1	C361 S362 A363 L369	C361-H365 WeakPolarHBondContact O-CB 3.48Å; C361-H365 PolarHBondContact O-N 2.94Å; C361-H365 VanDerWaalsContact O-N 3.1Å; S362-H365 PolarHBondContact O-N 2.9Å; A363-H365 VanDerWaalsContact C-N 3.33Å; A363-H365 PolarHBondContact O-N 2.93Å; H365-L369 PolarHBondContact O-N 3.27Å
366	F	79.7	Confident	80.8	Confident	132 Å²	132	96.5 Å²	96.5	58%	0.579	53%	0.526	S	S	*	.	H	α-helix	trans	-66.1	-39.5	177.7	-169.6	-101.5	0	0	0	112.4	S362 A363 L369 Q370	S362-F366 WeakPolarHBondContact O-CB 3.48Å; S362-F366 PolarHBondContact O-N 3.43Å; A363-F366 PolarHBondContact O-N 2.87Å; F366-L369 WeakPolarHBondContact O-CB 3.34Å; F366-L369 PolarHBondContact O-N 2.81Å; F366-Q370 HydrophobicContact CD1-CG 4.46Å; F366-Q370 HydrophobicContact CE1-CG 4.25Å; F366-Q370 VanDerWaalsContact CE1-NE2 3.31Å; F366-Q370 PolarHBondContact O-N 2.74Å
367	Q	80.7	Confident	81.1	Confident	124 Å²	124	96.1 Å²	96.1	58%	0.579	53%	0.526	S	S	*	.	H	α-helix	trans	-67.1	-42.9	177.9	-170.4	166.5	-6.1	0	0	111.9	A363 E364 L369 Q370 D371	A363-Q367 WeakPolarHBondContact O-CB 3.46Å; A363-Q367 PolarHBondContact O-N 3.05Å; E364-Q367 PolarHBondContact O-N 3.18Å; Q367-L369 VanDerWaalsContact C-N 3.31Å; Q367-L369 PolarHBondContact O-N 3.09Å; Q367-Q370 WeakPolarHBondContact O-CB 3.22Å; Q367-Q370 PolarHBondContact O-N 2.87Å; Q367-Q370 VanDerWaalsContact O-N 3.13Å; Q367-D371 PolarHBondContact O-N 2.93Å
368	N	85.1	Confident	81.5	Confident	88 Å²	88	99 Å²	99	47%	0.471	53%	0.527	S	S	.	.	H	α-helix	trans	-60.3	-40.4	173.3	-169.6	-20	0	0	0	111.7	E364 Q370 D371 Q372	E364-N368 WeakPolarHBondContact O-CB 3.41Å; E364-N368 PolarHBondContact O-N 3.37Å; N368-Q370 PolarHBondContact O-N 3.45Å; N368-D371 PolarHBondContact O-N 3.45Å; N368-Q372 WeakPolarHBondContact O-CG 3.19Å; N368-Q372 PolarHBondContact O-N 2.84Å; N368-Q372 PolarHBondContact OD1-NE2 3.08Å
369	L	80.9	Confident	82	Confident	71 Å²	71	104.1 Å²	104.1	37%	0.372	53%	0.533	S	S	.	.	H	α-helix	trans	-61.4	-40.1	172.6	-96.2	160.2	0	0	0	113	H365 F366 Q367 F373	H365-L369 PolarHBondContact O-N 3.27Å; F366-L369 WeakPolarHBondContact O-CB 3.34Å; F366-L369 PolarHBondContact O-N 2.81Å; Q367-L369 VanDerWaalsContact C-N 3.31Å; Q367-L369 PolarHBondContact O-N 3.09Å; L369-F373 WeakPolarHBondContact O-CB 3.41Å; L369-F373 PolarHBondContact O-N 2.91Å
370	Q	82.1	Confident	82.4	Confident	114 Å²	114	107.2 Å²	107.2	53%	0.533	54%	0.54	S	S	.	.	H	α-helix	trans	-64.2	-45.7	174.5	-74	-167.7	-14.8	0	0	112.2	F366 Q367 N368 Q372 F373 F374	F366-Q370 HydrophobicContact CD1-CG 4.46Å; F366-Q370 HydrophobicContact CE1-CG 4.25Å; F366-Q370 VanDerWaalsContact CE1-NE2 3.31Å; F366-Q370 PolarHBondContact O-N 2.74Å; Q367-Q370 WeakPolarHBondContact O-CB 3.22Å; Q367-Q370 PolarHBondContact O-N 2.87Å; Q367-Q370 VanDerWaalsContact O-N 3.13Å; N368-Q370 PolarHBondContact O-N 3.45Å; Q370-Q372 VanDerWaalsContact C-N 3.33Å; Q370-Q372 PolarHBondContact O-N 3.44Å; Q370-F373 PolarHBondContact O-N 2.97Å; Q370-F374 WeakPolarHBondContact O-CB 3.49Å; Q370-F374 PolarHBondContact O-N 3.11Å
371	D	84.8	Confident	82.7	Confident	96 Å²	96	108.4 Å²	108.4	51%	0.513	54%	0.544	S	S	.	.	H	α-helix	trans	-63.4	-38.1	178.6	-79.7	-34.3	0	0	0	112.4	Q367 N368 T375	Q367-D371 PolarHBondContact O-N 2.93Å; N368-D371 PolarHBondContact O-N 3.45Å; D371-T375 VanDerWaalsContact O-CB 3.28Å; D371-T375 WeakPolarHBondContact O-CB 3.44Å; D371-T375 PolarHBondContact O-N 3.32Å; D371-T375 PolarHBondContact O-OG1 2.95Å
372	Q	86.4	Confident	82.8	Confident	107 Å²	107	106.9 Å²	106.9	50%	0.5	54%	0.538	S	S	.	.	H	α-helix	trans	-64.2	-46.3	172.4	-72.3	-178.4	45.2	0	0	111.6	N368 Q370 F374 T375 L376	N368-Q372 WeakPolarHBondContact O-CG 3.19Å; N368-Q372 PolarHBondContact O-N 2.84Å; N368-Q372 PolarHBondContact OD1-NE2 3.08Å; Q370-Q372 VanDerWaalsContact C-N 3.33Å; Q370-Q372 PolarHBondContact O-N 3.44Å; Q372-F374 PolarHBondContact O-N 2.87Å; Q372-T375 PolarHBondContact O-N 3.42Å; Q372-L376 WeakPolarHBondContact O-CG 3.37Å; Q372-L376 PolarHBondContact O-N 3.44Å
373	F	85.5	Confident	83.5	Confident	146 Å²	146	107.4 Å²	107.4	64%	0.64	53%	0.534	S	S	*	.	H	α-helix	trans	-60.5	-45.1	176.6	-111.1	-84.6	0	0	0	112.2	L369 Q370 T375 L376 Q377	L369-F373 WeakPolarHBondContact O-CB 3.41Å; L369-F373 PolarHBondContact O-N 2.91Å; Q370-F373 PolarHBondContact O-N 2.97Å; F373-T375 VanDerWaalsContact C-N 3.34Å; F373-T375 PolarHBondContact O-N 3.33Å; F373-L376 PolarHBondContact O-N 3.2Å; F373-Q377 WeakPolarHBondContact O-CB 3.32Å; F373-Q377 PolarHBondContact O-N 3.24Å
374	F	86.5	Confident	83.9	Confident	105 Å²	105	107.6 Å²	107.6	46%	0.461	53%	0.53	S	S	.	.	H	α-helix	trans	-65.1	-37.8	178.1	-173.3	-122.6	0	0	0	112	Q370 Q372 Q377 K378	Q370-F374 WeakPolarHBondContact O-CB 3.49Å; Q370-F374 PolarHBondContact O-N 3.11Å; Q372-F374 PolarHBondContact O-N 2.87Å; F374-Q377 PolarHBondContact O-N 3.22Å; F374-K378 HydrophobicContact CE1-CD 4.3Å; F374-K378 VanDerWaalsContact CE1-CE 3.42Å; F374-K378 VanDerWaalsContact CZ-CE 3.46Å; F374-K378 PolarHBondContact O-N 2.89Å
375	T	86.3	Confident	84.2	Confident	68 Å²	68	104.1 Å²	104.1	42%	0.417	52%	0.52	S	S	.	.	H	α-helix	trans	-65.9	-42.1	174.3	-62.1	0	0	0	0	111.9	D371 Q372 F373 K378 R379	D371-T375 VanDerWaalsContact O-CB 3.28Å; D371-T375 WeakPolarHBondContact O-CB 3.44Å; D371-T375 PolarHBondContact O-N 3.32Å; D371-T375 PolarHBondContact O-OG1 2.95Å; Q372-T375 PolarHBondContact O-N 3.42Å; F373-T375 VanDerWaalsContact C-N 3.34Å; F373-T375 PolarHBondContact O-N 3.33Å; T375-K378 PolarHBondContact O-N 3.15Å; T375-R379 WeakPolarHBondContact O-CG 3.47Å; T375-R379 PolarHBondContact O-N 3.36Å; T375-R379 VanDerWaalsContact O-N 3.09Å
376	L	83.9	Confident	84.4	Confident	103 Å²	103	101.9 Å²	101.9	54%	0.539	52%	0.515	S	S	.	.	H	α-helix	trans	-65.3	-41.3	173.7	-71.7	170.9	0	0	0	111.7	Q372 F373 K378 R379 L380	Q372-L376 WeakPolarHBondContact O-CG 3.37Å; Q372-L376 PolarHBondContact O-N 3.44Å; F373-L376 PolarHBondContact O-N 3.2Å; L376-K378 PolarHBondContact O-N 3.27Å; L376-R379 PolarHBondContact O-N 2.92Å; L376-L380 WeakPolarHBondContact O-CB 3.45Å; L376-L380 PolarHBondContact O-N 2.81Å
377	Q	87.1	Confident	84.7	Confident	116 Å²	116	100.9 Å²	100.9	54%	0.542	52%	0.515	S	S	.	.	H	α-helix	trans	-63.3	-40.1	176.9	-167.2	-178.7	20.1	0	0	112.2	F373 F374 L380 T381	F373-Q377 WeakPolarHBondContact O-CB 3.32Å; F373-Q377 PolarHBondContact O-N 3.24Å; F374-Q377 PolarHBondContact O-N 3.22Å; Q377-L380 PolarHBondContact O-N 3.17Å; Q377-T381 WeakPolarHBondContact O-CG2 3.43Å; Q377-T381 PolarHBondContact O-N 3.41Å; Q377-T381 PolarHBondContact O-OG1 2.9Å
378	K	85.1	Confident	85.1	Confident	125 Å²	125	103 Å²	103	54%	0.543	52%	0.518	S	S	.	.	H	α-helix	trans	-63	-41	171.3	-79.6	-177	175.1	173.8	0	112.6	F374 T375 L376 T381 A382	F374-K378 HydrophobicContact CE1-CD 4.3Å; F374-K378 VanDerWaalsContact CE1-CE 3.42Å; F374-K378 VanDerWaalsContact CZ-CE 3.46Å; F374-K378 PolarHBondContact O-N 2.89Å; T375-K378 PolarHBondContact O-N 3.15Å; L376-K378 PolarHBondContact O-N 3.27Å; K378-T381 PolarHBondContact O-OG1 2.89Å; K378-A382 WeakPolarHBondContact O-CB 3.37Å; K378-A382 PolarHBondContact O-N 3.24Å; K378-A382 VanDerWaalsContact O-N 3.13Å
379	R	85.4	Confident	85.4	Confident	171 Å²	171	101.7 Å²	101.7	65%	0.645	52%	0.515	S	S	*	.	H	α-helix	trans	-66	-41.6	175.6	-71.9	174.5	178	-172.8	0.4	111.7	T375 L376 T381 A382 L383	T375-R379 WeakPolarHBondContact O-CG 3.47Å; T375-R379 PolarHBondContact O-N 3.36Å; T375-R379 VanDerWaalsContact O-N 3.09Å; L376-R379 PolarHBondContact O-N 2.92Å; R379-T381 PolarHBondContact O-N 2.82Å; R379-A382 PolarHBondContact O-N 3.43Å; R379-L383 PolarHBondContact O-N 2.98Å
380	L	84.3	Confident	85.6	Confident	125 Å²	125	105 Å²	105	65%	0.654	53%	0.53	S	S	*	.	H	α-helix	trans	-65.9	-36.7	179.2	-166.7	70.1	0	0	0	112.3	L376 Q377 P384	L376-L380 WeakPolarHBondContact O-CB 3.45Å; L376-L380 PolarHBondContact O-N 2.81Å; Q377-L380 PolarHBondContact O-N 3.17Å; L380-P384 WeakPolarHBondContact O-CD 3.48Å
381	T	82.6	Confident	86	Confident	95 Å²	95	107.3 Å²	107.3	58%	0.583	54%	0.539	S	S	*	.	H	α-helix	trans	-77.6	-23.6	176.3	50.3	0	0	0	0	113.7	Q377 K378 R379 P385	Q377-T381 WeakPolarHBondContact O-CG2 3.43Å; Q377-T381 PolarHBondContact O-N 3.41Å; Q377-T381 PolarHBondContact O-OG1 2.9Å; K378-T381 PolarHBondContact O-OG1 2.89Å; R379-T381 PolarHBondContact O-N 2.82Å; T381-P385 WeakPolarHBondContact O-CD 3.37Å
382	A	83.2	Confident	86.3	Confident	52 Å²	52	107 Å²	107	43%	0.43	54%	0.541	S	S	.	.	H	α-helix	trans	-80.3	-17	175	0	0	0	0	0	114.8	K378 R379 P385 T386	K378-A382 WeakPolarHBondContact O-CB 3.37Å; K378-A382 PolarHBondContact O-N 3.24Å; K378-A382 VanDerWaalsContact O-N 3.13Å; R379-A382 PolarHBondContact O-N 3.43Å; A382-P385 WeakPolarHBondContact O-CD 3.13Å; A382-P385 WeakPolarHBondContact O-CG 3.47Å; A382-T386 PolarHBondContact O-OG1 2.88Å
383	L	84.2	Confident	86.5	Confident	91 Å²	91	106.1 Å²	106.1	48%	0.476	54%	0.539	S	S	.	.	H	α-helix	trans	-70.3	-47.5	178.3	-96.2	159.2	0	0	0	114.3	R379 T386 L387	R379-L383 PolarHBondContact O-N 2.98Å; L383-T386 WeakPolarHBondContact CA-OG1 3.34Å; L383-T386 PolarHBondContact O-N 2.87Å; L383-T386 PolarHBondContact O-OG1 2.84Å; L383-L387 HydrophobicContact CD2-CD1 4.42Å; L383-L387 WeakPolarHBondContact O-CB 3.29Å; L383-L387 PolarHBondContact O-N 3.39Å
384	P	86.5	Confident	86.6	Confident	62 Å²	62	106.4 Å²	106.4	40%	0.403	54%	0.537	S	S	.	.	H	α-helix	trans	-59.3	-34.1	178.9	-27.8	35.5	0	0	0	117.7	L380 R388	L380-P384 WeakPolarHBondContact O-CD 3.48Å; P384-R388 WeakPolarHBondContact O-CG 3.4Å; P384-R388 PolarHBondContact O-N 3.08Å; P384-R388 PolarHBondContact O-NE 3.45Å
385	P	87.1	Confident	86.7	Confident	67 Å²	67	104.2 Å²	104.2	44%	0.435	54%	0.538	S	S	.	.	H	α-helix	trans	-76.8	-38.1	172.8	27.4	-33.3	0	0	0	112.7	T381 A382 R388 S389	T381-P385 WeakPolarHBondContact O-CD 3.37Å; A382-P385 WeakPolarHBondContact O-CD 3.13Å; A382-P385 WeakPolarHBondContact O-CG 3.47Å; P385-R388 WeakPolarHBondContact O-CB 3.46Å; P385-R388 PolarHBondContact O-N 3.32Å; P385-R388 VanDerWaalsContact O-N 3.16Å; P385-S389 PolarHBondContact O-N 3.29Å
386	T	85.1	Confident	86.9	Confident	81 Å²	81	103.8 Å²	103.8	50%	0.497	54%	0.538	S	S	.	.	H	α-helix	trans	-68.2	-40.9	179.1	47.5	0	0	0	0	112.1	A382 L383 R388 S389 M390	A382-T386 PolarHBondContact O-OG1 2.88Å; L383-T386 WeakPolarHBondContact CA-OG1 3.34Å; L383-T386 PolarHBondContact O-N 2.87Å; L383-T386 PolarHBondContact O-OG1 2.84Å; T386-R388 VanDerWaalsContact C-N 3.28Å; T386-R388 PolarHBondContact O-N 3.15Å; T386-S389 PolarHBondContact O-N 2.98Å; T386-M390 PolarHBondContact O-N 3.29Å
387	L	86.8	Confident	87.2	Confident	112 Å²	112	103.6 Å²	103.6	59%	0.586	54%	0.537	S	S	*	.	H	α-helix	trans	-60.8	-34.4	169.3	-92.6	163.9	0	0	0	113.1	L383 K391	L383-L387 HydrophobicContact CD2-CD1 4.42Å; L383-L387 WeakPolarHBondContact O-CB 3.29Å; L383-L387 PolarHBondContact O-N 3.39Å; L387-K391 WeakPolarHBondContact O-CB 3.48Å; L387-K391 PolarHBondContact O-N 3.18Å; L387-K391 VanDerWaalsContact O-N 3.11Å
388	R	88.4	Confident	87.2	Confident	169 Å²	169	106.2 Å²	106.2	64%	0.638	54%	0.542	S	S	*	.	H	α-helix	trans	-68.1	-44	174.4	-88.8	-179.4	-80.9	-178.8	-6.8	111.8	P384 P385 T386 K391 T392	P384-R388 WeakPolarHBondContact O-CG 3.4Å; P384-R388 PolarHBondContact O-N 3.08Å; P384-R388 PolarHBondContact O-NE 3.45Å; P385-R388 WeakPolarHBondContact O-CB 3.46Å; P385-R388 PolarHBondContact O-N 3.32Å; P385-R388 VanDerWaalsContact O-N 3.16Å; T386-R388 VanDerWaalsContact C-N 3.28Å; T386-R388 PolarHBondContact O-N 3.15Å; R388-K391 PolarHBondContact O-N 2.94Å; R388-T392 PolarHBondContact O-N 3.28Å; R388-T392 PolarHBondContact O-OG1 2.9Å
389	S	90.6	Very high	87.3	Confident	59 Å²	59	103.2 Å²	103.2	41%	0.413	54%	0.537	S	S	.	.	H	α-helix	trans	-57.1	-57	173.6	-164.4	0	0	0	0	110.7	P385 T386 K391 T392 D393	P385-S389 PolarHBondContact O-N 3.29Å; T386-S389 PolarHBondContact O-N 2.98Å; S389-K391 PolarHBondContact O-N 3.01Å; S389-T392 WeakPolarHBondContact CA-OG1 3.32Å; S389-T392 CarbonylContact O-C 3.5Å; S389-T392 PolarHBondContact O-N 3.33Å; S389-T392 PolarHBondContact O-OG1 3.29Å; S389-D393 WeakPolarHBondContact O-CB 3.4Å; S389-D393 PolarHBondContact O-N 3.06Å; S389-D393 PolarHBondContact OG-OD2 3.09Å
390	M	86.9	Confident	87.3	Confident	140 Å²	140	99.5 Å²	99.5	69%	0.69	53%	0.527	S	S	*	.	H	α-helix	trans	-55.5	-33.6	-180	-74.3	-167.1	73.9	0	0	112.9	T386 Y394	T386-M390 PolarHBondContact O-N 3.29Å; M390-Y394 WeakPolarHBondContact O-CB 3.36Å; M390-Y394 PolarHBondContact O-N 2.76Å
391	K	90.2	Very high	87.4	Confident	163 Å²	163	98 Å²	98	71%	0.709	52%	0.523	S	S	*	.	H	α-helix	trans	-71.1	-39.1	175.9	-170.4	173.4	-179	177.9	0	112.9	L387 R388 S389 A395	L387-K391 WeakPolarHBondContact O-CB 3.48Å; L387-K391 PolarHBondContact O-N 3.18Å; L387-K391 VanDerWaalsContact O-N 3.11Å; R388-K391 PolarHBondContact O-N 2.94Å; S389-K391 PolarHBondContact O-N 3.01Å; K391-A395 WeakPolarHBondContact O-CB 3.44Å; K391-A395 PolarHBondContact O-N 3.06Å; K391-A395 VanDerWaalsContact O-N 3.13Å
392	T	91	Very high	87.3	Confident	90 Å²	90	101.8 Å²	101.8	55%	0.552	53%	0.526	S	S	*	.	H	α-helix	trans	-70.6	-38.7	172.7	44.1	0	0	0	0	112.2	R388 S389 A395 S396	R388-T392 PolarHBondContact O-N 3.28Å; R388-T392 PolarHBondContact O-OG1 2.9Å; S389-T392 WeakPolarHBondContact CA-OG1 3.32Å; S389-T392 CarbonylContact O-C 3.5Å; S389-T392 PolarHBondContact O-N 3.33Å; S389-T392 PolarHBondContact O-OG1 3.29Å; T392-A395 PolarHBondContact O-N 2.96Å; T392-S396 WeakPolarHBondContact O-CB 3.45Å; T392-S396 PolarHBondContact O-N 3.38Å
393	D	89.8	Confident	87.4	Confident	88 Å²	88	103.5 Å²	103.5	47%	0.471	53%	0.528	S	S	.	.	H	α-helix	trans	-66.9	-44.3	-179.9	-58.4	-33.6	0	0	0	110.5	S389 S396 L397	S389-D393 WeakPolarHBondContact O-CB 3.4Å; S389-D393 PolarHBondContact O-N 3.06Å; S389-D393 PolarHBondContact OG-OD2 3.09Å; D393-S396 PolarHBondContact O-N 3.2Å; D393-L397 WeakPolarHBondContact O-CB 3.39Å; D393-L397 PolarHBondContact O-N 3.07Å
394	Y	88.7	Confident	87.4	Confident	153 Å²	153	104.5 Å²	104.5	60%	0.6	53%	0.529	S	S	*	.	H	α-helix	trans	-62.5	-40.9	172.3	179.3	-101.8	0	0	0	112.7	M390 R398	M390-Y394 WeakPolarHBondContact O-CB 3.36Å; M390-Y394 PolarHBondContact O-N 2.76Å; Y394-R398 WeakPolarHBondContact O-CB 3.4Å; Y394-R398 PolarHBondContact O-N 3.39Å
395	A	87.9	Confident	87.1	Confident	58 Å²	58	105.6 Å²	105.6	48%	0.479	54%	0.538	S	S	.	.	H	α-helix	trans	-65.6	-41.3	176.3	0	0	0	0	0	112.1	K391 T392 S399	K391-A395 WeakPolarHBondContact O-CB 3.44Å; K391-A395 PolarHBondContact O-N 3.06Å; K391-A395 VanDerWaalsContact O-N 3.13Å; T392-A395 PolarHBondContact O-N 2.96Å; A395-S399 WeakPolarHBondContact O-CB 3.41Å; A395-S399 PolarHBondContact O-N 2.87Å
396	S	91.1	Very high	86.9	Confident	59 Å²	59	107.6 Å²	107.6	41%	0.413	54%	0.542	S	S	.	.	H	α-helix	trans	-62.1	-51.1	175	-175.9	0	0	0	0	111.4	T392 D393 R398 S399 Q400	T392-S396 WeakPolarHBondContact O-CB 3.45Å; T392-S396 PolarHBondContact O-N 3.38Å; D393-S396 PolarHBondContact O-N 3.2Å; S396-R398 PolarHBondContact O-N 2.85Å; S396-S399 WeakPolarHBondContact O-CB 3.49Å; S396-S399 PolarHBondContact O-N 3Å; S396-S399 VanDerWaalsContact O-N 3.15Å; S396-Q400 WeakPolarHBondContact O-CG 3.39Å; S396-Q400 PolarHBondContact O-N 3.41Å; S396-Q400 PolarHBondContact OG-NE2 3.13Å
397	L	88.6	Confident	87	Confident	100 Å²	100	110.2 Å²	110.2	52%	0.524	55%	0.547	S	S	.	.	H	α-helix	trans	-61.5	-42.5	178.8	-174.9	64	0	0	0	112	D393 S399 Q400 V401	D393-L397 WeakPolarHBondContact O-CB 3.39Å; D393-L397 PolarHBondContact O-N 3.07Å; L397-S399 VanDerWaalsContact C-N 3.31Å; L397-S399 PolarHBondContact O-N 2.66Å; L397-Q400 PolarHBondContact O-N 3.03Å; L397-V401 WeakPolarHBondContact O-CG2 3.32Å; L397-V401 PolarHBondContact O-N 2.85Å
398	R	88.2	Confident	86.8	Confident	170 Å²	170	111.5 Å²	111.5	64%	0.642	55%	0.545	S	S	*	.	H	α-helix	trans	-62.7	-36.4	175.8	-175.3	177.5	-179.6	-171.8	1.5	112.4	Y394 S396 R402	Y394-R398 WeakPolarHBondContact O-CB 3.4Å; Y394-R398 PolarHBondContact O-N 3.39Å; S396-R398 PolarHBondContact O-N 2.85Å; R398-R402 PolarHBondContact O-N 3.49Å
399	S	85.8	Confident	86.6	Confident	62 Å²	62	107 Å²	107	43%	0.434	54%	0.539	S	S	.	.	H	α-helix	trans	-65.3	-50.5	173.2	-172.7	0	0	0	0	111.1	A395 S396 L397 V401 R402 N403	A395-S399 WeakPolarHBondContact O-CB 3.41Å; A395-S399 PolarHBondContact O-N 2.87Å; S396-S399 WeakPolarHBondContact O-CB 3.49Å; S396-S399 PolarHBondContact O-N 3Å; S396-S399 VanDerWaalsContact O-N 3.15Å; L397-S399 VanDerWaalsContact C-N 3.31Å; L397-S399 PolarHBondContact O-N 2.66Å; S399-V401 PolarHBondContact O-N 3.47Å; S399-R402 PolarHBondContact O-N 2.84Å; S399-R402 VanDerWaalsContact O-N 3.17Å; S399-N403 PolarHBondContact O-N 2.97Å; S399-N403 PolarHBondContact O-ND2 2.88Å; S399-N403 PolarHBondContact O-OD1 2.91Å
400	Q	86.4	Confident	86.5	Confident	94 Å²	94	107 Å²	107	44%	0.439	54%	0.542	S	S	.	.	H	α-helix	trans	-57	-48.6	178.7	-68.3	173.4	31.9	0	0	112.3	S396 L397 R402 N403 F404	S396-Q400 WeakPolarHBondContact O-CG 3.39Å; S396-Q400 PolarHBondContact O-N 3.41Å; S396-Q400 PolarHBondContact OG-NE2 3.13Å; L397-Q400 PolarHBondContact O-N 3.03Å; Q400-R402 VanDerWaalsContact C-N 3.29Å; Q400-R402 PolarHBondContact O-N 2.84Å; Q400-N403 PolarHBondContact O-N 2.85Å; Q400-F404 HydrophobicContact CB-CE2 4.37Å; Q400-F404 WeakPolarHBondContact O-CD2 3.26Å; Q400-F404 PolarHBondContact O-N 2.84Å
401	V	85.8	Confident	86.5	Confident	94 Å²	94	102.4 Å²	102.4	57%	0.57	53%	0.527	S	S	*	.	H	α-helix	trans	-59	-38.6	178.6	170.2	0	0	0	0	112.1	L397 S399 S405	L397-V401 WeakPolarHBondContact O-CG2 3.32Å; L397-V401 PolarHBondContact O-N 2.85Å; S399-V401 PolarHBondContact O-N 3.47Å; V401-S405 PolarHBondContact O-N 2.81Å
402	R	81.8	Confident	86.4	Confident	173 Å²	173	100.1 Å²	100.1	65%	0.653	52%	0.521	S	S	*	.	H	α-helix	trans	-67.4	-47.5	176.5	-165.3	177	-170.9	161.9	7	111.4	R398 S399 Q400 F404 S405 E406	R398-R402 PolarHBondContact O-N 3.49Å; S399-R402 PolarHBondContact O-N 2.84Å; S399-R402 VanDerWaalsContact O-N 3.17Å; Q400-R402 VanDerWaalsContact C-N 3.29Å; Q400-R402 PolarHBondContact O-N 2.84Å; R402-F404 VanDerWaalsContact C-N 3.3Å; R402-F404 PolarHBondContact O-N 2.9Å; R402-S405 WeakPolarHBondContact O-CB 3.37Å; R402-S405 PolarHBondContact O-N 3.24Å; R402-S405 VanDerWaalsContact O-N 3.09Å; R402-E406 IonicContact NE-OE1 3.37Å; R402-E406 PolarHBondContact O-N 3.24Å
403	N	85.3	Confident	86.4	Confident	89 Å²	89	99.6 Å²	99.6	48%	0.476	52%	0.521	S	S	.	.	H	α-helix	trans	-62.5	-35.9	179.3	-60.4	-7.4	0	0	0	112	S399 Q400 E406 F407	S399-N403 PolarHBondContact O-N 2.97Å; S399-N403 PolarHBondContact O-ND2 2.88Å; S399-N403 PolarHBondContact O-OD1 2.91Å; Q400-N403 PolarHBondContact O-N 2.85Å; N403-E406 PolarHBondContact O-N 2.95Å; N403-F407 VanDerWaalsContact O-CB 3.26Å; N403-F407 WeakPolarHBondContact O-CB 3.24Å; N403-F407 PolarHBondContact O-N 3.45Å
404	F	82.8	Confident	86.5	Confident	112 Å²	112	99.4 Å²	99.4	49%	0.491	52%	0.518	S	S	.	.	H	α-helix	trans	-60.8	-43.9	172.3	-82.1	-61.1	0	0	0	112.2	Q400 R402 E406 F407 Y408	Q400-F404 HydrophobicContact CB-CE2 4.37Å; Q400-F404 WeakPolarHBondContact O-CD2 3.26Å; Q400-F404 PolarHBondContact O-N 2.84Å; R402-F404 VanDerWaalsContact C-N 3.3Å; R402-F404 PolarHBondContact O-N 2.9Å; F404-E406 PolarHBondContact O-N 2.84Å; F404-F407 PolarHBondContact O-N 3.03Å; F404-Y408 HydrophobicContact CB-CD2 4.4Å; F404-Y408 HydrophobicContact CB-CE2 4.49Å; F404-Y408 HydrophobicContact CD1-CE2 4.02Å; F404-Y408 WeakPolarHBondContact O-CB 3.43Å; F404-Y408 WeakPolarHBondContact O-CD2 3.16Å; F404-Y408 PolarHBondContact O-N 3.5Å
405	S	81.7	Confident	86.4	Confident	85 Å²	85	94.2 Å²	94.2	59%	0.594	51%	0.506	S	S	*	.	H	α-helix	trans	-61.2	-44.4	178.8	-170.1	0	0	0	0	111.8	V401 R402 S409	V401-S405 PolarHBondContact O-N 2.81Å; R402-S405 WeakPolarHBondContact O-CB 3.37Å; R402-S405 PolarHBondContact O-N 3.24Å; R402-S405 VanDerWaalsContact O-N 3.09Å; S405-S409 WeakPolarHBondContact O-CB 3.23Å; S405-S409 PolarHBondContact O-N 3.06Å; S405-S409 PolarHBondContact O-OG 2.92Å
406	E	83.2	Confident	86.6	Confident	108 Å²	108	98.4 Å²	98.4	51%	0.505	51%	0.513	S	S	.	.	H	α-helix	trans	-67.2	-47.2	179.5	-69.1	171.2	-159.7	0	0	110.5	R402 N403 F404 Y408 S409 A410	R402-E406 IonicContact NE-OE1 3.37Å; R402-E406 PolarHBondContact O-N 3.24Å; N403-E406 PolarHBondContact O-N 2.95Å; F404-E406 PolarHBondContact O-N 2.84Å; E406-Y408 PolarHBondContact O-N 2.87Å; E406-S409 PolarHBondContact O-N 3.21Å; E406-S409 PolarHBondContact O-OG 3.33Å; E406-A410 PolarHBondContact O-N 3.43Å
407	F	86.1	Confident	86.7	Confident	137 Å²	137	102.1 Å²	102.1	60%	0.601	52%	0.522	S	S	*	.	H	α-helix	trans	-58.1	-48.3	176.3	-179.6	-97.3	0	0	0	113.2	N403 F404 S409 A410 A411	N403-F407 VanDerWaalsContact O-CB 3.26Å; N403-F407 WeakPolarHBondContact O-CB 3.24Å; N403-F407 PolarHBondContact O-N 3.45Å; F404-F407 PolarHBondContact O-N 3.03Å; F407-S409 PolarHBondContact O-N 2.83Å; F407-A410 PolarHBondContact O-N 3.38Å; F407-A411 WeakPolarHBondContact O-CB 3.43Å; F407-A411 PolarHBondContact O-N 2.82Å
408	Y	83.1	Confident	86.9	Confident	139 Å²	139	103 Å²	103	55%	0.545	52%	0.523	S	S	.	.	H	α-helix	trans	-65.7	-37.7	177.6	-80.9	-63	0	0	0	112	F404 E406 A410 A411 I412	F404-Y408 HydrophobicContact CB-CD2 4.4Å; F404-Y408 HydrophobicContact CB-CE2 4.49Å; F404-Y408 HydrophobicContact CD1-CE2 4.02Å; F404-Y408 WeakPolarHBondContact O-CB 3.43Å; F404-Y408 WeakPolarHBondContact O-CD2 3.16Å; F404-Y408 PolarHBondContact O-N 3.5Å; E406-Y408 PolarHBondContact O-N 2.87Å; Y408-A410 PolarHBondContact O-N 2.91Å; Y408-A411 PolarHBondContact O-N 3.16Å; Y408-I412 WeakPolarHBondContact O-CB 3.23Å; Y408-I412 WeakPolarHBondContact O-CD1 3.39Å; Y408-I412 WeakPolarHBondContact O-CG1 3.42Å; Y408-I412 PolarHBondContact O-N 3Å
409	S	84.4	Confident	87	Confident	73 Å²	73	99.7 Å²	99.7	51%	0.51	52%	0.518	S	S	.	.	H	α-helix	trans	-63.7	-41.2	177.1	75.7	0	0	0	0	112.2	S405 E406 F407 S413	S405-S409 WeakPolarHBondContact O-CB 3.23Å; S405-S409 PolarHBondContact O-N 3.06Å; S405-S409 PolarHBondContact O-OG 2.92Å; E406-S409 PolarHBondContact O-N 3.21Å; E406-S409 PolarHBondContact O-OG 3.33Å; F407-S409 PolarHBondContact O-N 2.83Å; S409-S413 WeakPolarHBondContact O-CB 3.5Å; S409-S413 PolarHBondContact O-N 2.86Å
410	A	87.3	Confident	87.2	Confident	59 Å²	59	99.8 Å²	99.8	49%	0.488	52%	0.518	S	S	.	.	H	α-helix	trans	-65.5	-47.3	174.5	0	0	0	0	0	112	E406 F407 Y408 I412 S413 E414	E406-A410 PolarHBondContact O-N 3.43Å; F407-A410 PolarHBondContact O-N 3.38Å; Y408-A410 PolarHBondContact O-N 2.91Å; A410-I412 PolarHBondContact O-N 2.76Å; A410-S413 PolarHBondContact O-N 3.05Å; A410-E414 PolarHBondContact O-N 2.98Å
411	A	87.5	Confident	87.5	Confident	45 Å²	45	98 Å²	98	37%	0.372	52%	0.52	S	S	.	.	H	α-helix	trans	-62.5	-39.9	179.4	0	0	0	0	0	112.7	F407 Y408 A415	F407-A411 WeakPolarHBondContact O-CB 3.43Å; F407-A411 PolarHBondContact O-N 2.82Å; Y408-A411 PolarHBondContact O-N 3.16Å; A411-A415 WeakPolarHBondContact O-CB 3.4Å; A411-A415 PolarHBondContact O-N 3.11Å
412	I	87.9	Confident	87.6	Confident	114 Å²	114	96.1 Å²	96.1	59%	0.585	51%	0.514	S	S	*	.	H	α-helix	trans	-68.3	-40	175.4	-69.7	166.3	0	0	0	111	Y408 A410 K416	Y408-I412 WeakPolarHBondContact O-CB 3.23Å; Y408-I412 WeakPolarHBondContact O-CD1 3.39Å; Y408-I412 WeakPolarHBondContact O-CG1 3.42Å; Y408-I412 PolarHBondContact O-N 3Å; A410-I412 PolarHBondContact O-N 2.76Å; I412-K416 VanDerWaalsContact O-CB 3.24Å; I412-K416 WeakPolarHBondContact O-CB 3.32Å; I412-K416 PolarHBondContact O-N 3.42Å
413	S	92.1	Very high	88	Confident	80 Å²	80	93.1 Å²	93.1	56%	0.559	51%	0.51	S	S	*	.	H	α-helix	trans	-63.1	-46.7	177	-169.2	0	0	0	0	111.9	S409 A410 K416 K417	S409-S413 WeakPolarHBondContact O-CB 3.5Å; S409-S413 PolarHBondContact O-N 2.86Å; A410-S413 PolarHBondContact O-N 3.05Å; S413-K416 PolarHBondContact O-N 3.02Å; S413-K417 WeakPolarHBondContact O-CB 3.31Å; S413-K417 PolarHBondContact O-N 3.24Å
414	E	91.8	Very high	88.3	Confident	84 Å²	84	92 Å²	92	39%	0.393	51%	0.509	S	S	.	.	H	α-helix	trans	-68.9	-42.1	178.6	-176.7	55.1	-152.3	0	0	111.7	A410 K416 K417 Q418	A410-E414 PolarHBondContact O-N 2.98Å; E414-K416 VanDerWaalsContact C-N 3.34Å; E414-K416 PolarHBondContact O-N 3.26Å; E414-K417 WeakPolarHBondContact O-CB 3.39Å; E414-K417 PolarHBondContact O-N 2.99Å; E414-K417 VanDerWaalsContact O-N 3.16Å; E414-K417 IonicContact OE2-NZ 3.9Å; E414-Q418 WeakPolarHBondContact O-CG 3.48Å; E414-Q418 PolarHBondContact O-N 3.48Å; E414-Q418 WeakPolarHBondContact OE1-CG 3.38Å; E414-Q418 PolarHBondContact OE1-NE2 3.36Å
415	A	86.8	Confident	88.6	Confident	43 Å²	43	93.7 Å²	93.7	36%	0.355	52%	0.518	S	S	.	.	H	α-helix	trans	-60	-42.7	172.8	0	0	0	0	0	112	A411 K417 Q418 I419	A411-A415 WeakPolarHBondContact O-CB 3.4Å; A411-A415 PolarHBondContact O-N 3.11Å; A415-K417 VanDerWaalsContact C-N 3.34Å; A415-K417 PolarHBondContact O-N 3.19Å; A415-Q418 PolarHBondContact O-N 2.77Å; A415-I419 WeakPolarHBondContact O-CB 3.46Å; A415-I419 WeakPolarHBondContact O-CD1 3.43Å; A415-I419 VanDerWaalsContact O-CG1 3.22Å; A415-I419 WeakPolarHBondContact O-CG1 3.38Å; A415-I419 PolarHBondContact O-N 2.86Å
416	K	90.6	Very high	88.9	Confident	146 Å²	146	95.2 Å²	95.2	64%	0.635	52%	0.518	S	S	*	.	H	α-helix	trans	-60.3	-43.3	173.9	-179.7	-177.6	177.2	-176.1	0	111.2	I412 S413 E414 S420	I412-K416 VanDerWaalsContact O-CB 3.24Å; I412-K416 WeakPolarHBondContact O-CB 3.32Å; I412-K416 PolarHBondContact O-N 3.42Å; S413-K416 PolarHBondContact O-N 3.02Å; E414-K416 VanDerWaalsContact C-N 3.34Å; E414-K416 PolarHBondContact O-N 3.26Å; K416-S420 WeakPolarHBondContact O-CB 3.26Å; K416-S420 PolarHBondContact O-N 3.4Å; K416-S420 PolarHBondContact O-OG 2.89Å
417	K	93.4	Very high	88.9	Confident	138 Å²	138	93.7 Å²	93.7	60%	0.6	52%	0.519	S	S	*	.	H	α-helix	trans	-63.3	-46.1	178.6	-174.5	-173.7	173.6	-164.7	0	111.8	S413 E414 A415 S420 A421	S413-K417 WeakPolarHBondContact O-CB 3.31Å; S413-K417 PolarHBondContact O-N 3.24Å; E414-K417 WeakPolarHBondContact O-CB 3.39Å; E414-K417 PolarHBondContact O-N 2.99Å; E414-K417 VanDerWaalsContact O-N 3.16Å; E414-K417 IonicContact OE2-NZ 3.9Å; A415-K417 VanDerWaalsContact C-N 3.34Å; A415-K417 PolarHBondContact O-N 3.19Å; K417-S420 PolarHBondContact O-N 3.05Å; K417-A421 WeakPolarHBondContact O-CB 3.4Å; K417-A421 PolarHBondContact O-N 3.4Å
418	Q	92.9	Very high	89.1	Confident	117 Å²	117	93.7 Å²	93.7	55%	0.547	52%	0.521	S	S	.	.	H	α-helix	trans	-63.5	-44.1	177.3	-69.3	175.6	11.6	0	0	112	E414 A415 A421 A422	E414-Q418 WeakPolarHBondContact O-CG 3.48Å; E414-Q418 PolarHBondContact O-N 3.48Å; E414-Q418 WeakPolarHBondContact OE1-CG 3.38Å; E414-Q418 PolarHBondContact OE1-NE2 3.36Å; A415-Q418 PolarHBondContact O-N 2.77Å; Q418-A421 PolarHBondContact O-N 3.47Å; Q418-A422 WeakPolarHBondContact O-CB 3.38Å; Q418-A422 PolarHBondContact O-N 2.95Å
419	I	90.2	Very high	89.2	Confident	102 Å²	102	89.5 Å²	89.5	52%	0.523	52%	0.515	S	S	.	.	H	α-helix	trans	-62	-45.3	175.3	-70.1	165.6	0	0	0	110.9	A415 A421 A422 I423	A415-I419 WeakPolarHBondContact O-CB 3.46Å; A415-I419 WeakPolarHBondContact O-CD1 3.43Å; A415-I419 VanDerWaalsContact O-CG1 3.22Å; A415-I419 WeakPolarHBondContact O-CG1 3.38Å; A415-I419 PolarHBondContact O-N 2.86Å; I419-A421 PolarHBondContact O-N 2.92Å; I419-A422 PolarHBondContact O-N 3.47Å; I419-I423 HydrophobicContact CG2-CD1 3.68Å; I419-I423 HydrophobicContact CG2-CG1 4.43Å; I419-I423 WeakPolarHBondContact O-CB 3.43Å; I419-I423 VanDerWaalsContact O-CG1 3.26Å; I419-I423 WeakPolarHBondContact O-CG1 3.33Å; I419-I423 PolarHBondContact O-N 3.22Å
420	S	91.2	Very high	89.1	Confident	64 Å²	64	89.7 Å²	89.7	45%	0.448	51%	0.51	S	S	.	.	H	α-helix	trans	-62.2	-41.4	177.7	-65.2	0	0	0	0	112.7	K416 K417 I423 S424	K416-S420 WeakPolarHBondContact O-CB 3.26Å; K416-S420 PolarHBondContact O-N 3.4Å; K416-S420 PolarHBondContact O-OG 2.89Å; K417-S420 PolarHBondContact O-N 3.05Å; S420-I423 PolarHBondContact O-N 3.42Å; S420-S424 PolarHBondContact O-N 3.33Å
421	A	92	Very high	88.9	Confident	57 Å²	57	94.2 Å²	94.2	47%	0.471	52%	0.519	S	S	.	.	H	α-helix	trans	-62.9	-49.3	176.4	0	0	0	0	0	111.5	K417 Q418 I419 I423 S424 E425	K417-A421 WeakPolarHBondContact O-CB 3.4Å; K417-A421 PolarHBondContact O-N 3.4Å; Q418-A421 PolarHBondContact O-N 3.47Å; I419-A421 PolarHBondContact O-N 2.92Å; A421-I423 VanDerWaalsContact C-N 3.31Å; A421-I423 PolarHBondContact O-N 3.34Å; A421-S424 WeakPolarHBondContact O-CB 3.38Å; A421-S424 PolarHBondContact O-N 3.27Å; A421-S424 VanDerWaalsContact O-N 3.09Å; A421-E425 PolarHBondContact O-N 3.47Å
422	A	88.9	Confident	88.9	Confident	54 Å²	54	95.5 Å²	95.5	45%	0.446	52%	0.52	S	S	.	.	H	α-helix	trans	-62.6	-34.5	178.2	0	0	0	0	0	112.9	Q418 I419 M426	Q418-A422 WeakPolarHBondContact O-CB 3.38Å; Q418-A422 PolarHBondContact O-N 2.95Å; I419-A422 PolarHBondContact O-N 3.47Å; A422-M426 WeakPolarHBondContact O-CB 3.48Å; A422-M426 PolarHBondContact O-N 2.9Å
423	I	88.5	Confident	88.8	Confident	110 Å²	110	95.3 Å²	95.3	56%	0.564	52%	0.519	S	S	*	.	H	α-helix	trans	-66.5	-41.5	172.9	-72.1	168.4	0	0	0	111	I419 S420 A421 S427	I419-I423 HydrophobicContact CG2-CD1 3.68Å; I419-I423 HydrophobicContact CG2-CG1 4.43Å; I419-I423 WeakPolarHBondContact O-CB 3.43Å; I419-I423 VanDerWaalsContact O-CG1 3.26Å; I419-I423 WeakPolarHBondContact O-CG1 3.33Å; I419-I423 PolarHBondContact O-N 3.22Å; S420-I423 PolarHBondContact O-N 3.42Å; A421-I423 VanDerWaalsContact C-N 3.31Å; A421-I423 PolarHBondContact O-N 3.34Å; I423-S427 VanDerWaalsContact O-CB 3.29Å; I423-S427 WeakPolarHBondContact O-CB 3.43Å; I423-S427 PolarHBondContact O-N 3.43Å
424	S	91.3	Very high	88.3	Confident	66 Å²	66	96.3 Å²	96.3	46%	0.462	52%	0.518	S	S	.	.	H	α-helix	trans	-64.4	-49.8	178.1	-161.4	0	0	0	0	111.6	S420 A421 M426 S427 E428	S420-S424 PolarHBondContact O-N 3.33Å; A421-S424 WeakPolarHBondContact O-CB 3.38Å; A421-S424 PolarHBondContact O-N 3.27Å; A421-S424 VanDerWaalsContact O-N 3.09Å; S424-M426 PolarHBondContact O-N 2.98Å; S424-S427 WeakPolarHBondContact O-CB 3.48Å; S424-S427 PolarHBondContact O-N 3.48Å; S424-S427 VanDerWaalsContact O-N 3.08Å; S424-E428 PolarHBondContact O-N 3.23Å
425	E	91.1	Very high	87.9	Confident	146 Å²	146	97 Å²	97	68%	0.682	52%	0.521	S	S	*	.	H	α-helix	trans	-58.8	-46.5	177.5	-175.7	-179.3	-173.6	0	0	111.5	A421 S427 E428 A429	A421-E425 PolarHBondContact O-N 3.47Å; E425-S427 VanDerWaalsContact C-N 3.29Å; E425-S427 PolarHBondContact O-N 2.74Å; E425-E428 PolarHBondContact O-N 2.82Å; E425-A429 WeakPolarHBondContact O-CB 3.33Å; E425-A429 PolarHBondContact O-N 3.02Å
426	M	86.4	Confident	87.7	Confident	118 Å²	118	100.5 Å²	100.5	58%	0.581	53%	0.528	S	S	*	.	H	α-helix	trans	-62.2	-35.3	174.6	-173.2	63.8	61.3	0	0	112.2	A422 S424 N430	A422-M426 WeakPolarHBondContact O-CB 3.48Å; A422-M426 PolarHBondContact O-N 2.9Å; S424-M426 PolarHBondContact O-N 2.98Å; M426-N430 VanDerWaalsContact O-CB 3.31Å; M426-N430 WeakPolarHBondContact O-CB 3.42Å; M426-N430 VanDerWaalsContact O-CG 3.23Å; M426-N430 PolarHBondContact O-N 3.38Å; M426-N430 PolarHBondContact O-ND2 2.94Å
427	S	84.2	Confident	87.4	Confident	76 Å²	76	98.4 Å²	98.4	53%	0.531	52%	0.517	S	S	.	.	H	α-helix	trans	-69.9	-39.9	177.5	-170.9	0	0	0	0	112.3	I423 S424 E425 K431	I423-S427 VanDerWaalsContact O-CB 3.29Å; I423-S427 WeakPolarHBondContact O-CB 3.43Å; I423-S427 PolarHBondContact O-N 3.43Å; S424-S427 WeakPolarHBondContact O-CB 3.48Å; S424-S427 PolarHBondContact O-N 3.48Å; S424-S427 VanDerWaalsContact O-N 3.08Å; E425-S427 VanDerWaalsContact C-N 3.29Å; E425-S427 PolarHBondContact O-N 2.74Å; S427-K431 WeakPolarHBondContact O-CB 3.48Å; S427-K431 PolarHBondContact O-N 3.26Å; S427-K431 VanDerWaalsContact O-N 3.1Å
428	E	89.1	Confident	86.7	Confident	137 Å²	137	98.9 Å²	98.9	64%	0.64	52%	0.515	S	S	*	.	H	α-helix	trans	-70.4	-43.6	176.2	-68.8	-171.9	148	0	0	111.6	S424 E425 N430 K431 D432	S424-E428 PolarHBondContact O-N 3.23Å; E425-E428 PolarHBondContact O-N 2.82Å; E428-N430 VanDerWaalsContact C-N 3.34Å; E428-N430 PolarHBondContact O-N 3.09Å; E428-K431 WeakPolarHBondContact O-CB 3.43Å; E428-K431 PolarHBondContact O-N 2.87Å; E428-K431 VanDerWaalsContact O-N 3.13Å; E428-D432 PolarHBondContact O-N 2.73Å
429	A	86.5	Confident	86.2	Confident	51 Å²	51	99.3 Å²	99.3	42%	0.421	52%	0.515	S	S	.	.	H	α-helix	trans	-59.3	-42.5	174.5	0	0	0	0	0	112.2	E425 K431 L433	E425-A429 WeakPolarHBondContact O-CB 3.33Å; E425-A429 PolarHBondContact O-N 3.02Å; A429-K431 PolarHBondContact O-N 3.38Å; A429-L433 VanDerWaalsContact O-CB 3.26Å; A429-L433 WeakPolarHBondContact O-CB 3.39Å; A429-L433 PolarHBondContact O-N 3.26Å
430	N	81.1	Confident	86	Confident	77 Å²	77	99 Å²	99	41%	0.412	51%	0.511	S	S	.	.	H	α-helix	trans	-65.1	-36.5	174.8	-78.7	-43.5	0	0	0	112.6	M426 E428 L434	M426-N430 VanDerWaalsContact O-CB 3.31Å; M426-N430 WeakPolarHBondContact O-CB 3.42Å; M426-N430 VanDerWaalsContact O-CG 3.23Å; M426-N430 PolarHBondContact O-N 3.38Å; M426-N430 PolarHBondContact O-ND2 2.94Å; E428-N430 VanDerWaalsContact C-N 3.34Å; E428-N430 PolarHBondContact O-N 3.09Å; N430-L434 WeakPolarHBondContact O-CB 3.46Å; N430-L434 VanDerWaalsContact O-CG 3.28Å; N430-L434 WeakPolarHBondContact O-CG 3.27Å; N430-L434 PolarHBondContact O-N 3.11Å
431	K	84.6	Confident	85.6	Confident	153 Å²	153	97.9 Å²	97.9	67%	0.665	50%	0.502	S	S	*	.	H	α-helix	trans	-65.9	-46.9	177.2	-177.2	-175.6	174.1	-171.7	0	111.7	S427 E428 A429 L434 E435	S427-K431 WeakPolarHBondContact O-CB 3.48Å; S427-K431 PolarHBondContact O-N 3.26Å; S427-K431 VanDerWaalsContact O-N 3.1Å; E428-K431 WeakPolarHBondContact O-CB 3.43Å; E428-K431 PolarHBondContact O-N 2.87Å; E428-K431 VanDerWaalsContact O-N 3.13Å; A429-K431 PolarHBondContact O-N 3.38Å; K431-L434 PolarHBondContact O-N 3.3Å; K431-E435 PolarHBondContact O-N 3.42Å
432	D	86.9	Confident	85.1	Confident	73 Å²	73	97.2 Å²	97.2	39%	0.39	50%	0.496	S	S	.	.	H	α-helix	trans	-62.7	-42.5	174.7	165.7	67.5	0	0	0	111.9	E428 L434 E435 K436	E428-D432 PolarHBondContact O-N 2.73Å; D432-L434 PolarHBondContact O-N 3.25Å; D432-E435 PolarHBondContact O-N 3.02Å; D432-K436 WeakPolarHBondContact O-CB 3.08Å; D432-K436 WeakPolarHBondContact O-CG 3.12Å; D432-K436 PolarHBondContact O-N 2.74Å; D432-K436 WeakPolarHBondContact OD1-CE 3.42Å; D432-K436 IonicContact OD1-NZ 2.77Å; D432-K436 PolarHBondContact OD1-NZ 3.41Å; D432-K436 WeakPolarHBondContact OD2-CE 3.27Å; D432-K436 IonicContact OD2-NZ 2.97Å; D432-K436 PolarHBondContact OD2-NZ 3.45Å
433	L	84.7	Confident	84.8	Confident	109 Å²	109	98.6 Å²	98.6	57%	0.571	50%	0.496	S	S	*	.	H	α-helix	trans	-61.4	-42.1	175.9	-174.1	64.2	0	0	0	112.3	A429 K436 Y437	A429-L433 VanDerWaalsContact O-CB 3.26Å; A429-L433 WeakPolarHBondContact O-CB 3.39Å; A429-L433 PolarHBondContact O-N 3.26Å; L433-K436 PolarHBondContact O-N 2.95Å; L433-Y437 VanDerWaalsContact O-CB 3.3Å; L433-Y437 WeakPolarHBondContact O-CB 3.22Å; L433-Y437 PolarHBondContact O-N 3.13Å
434	L	81.6	Confident	84.5	Confident	102 Å²	102	100.5 Å²	100.5	53%	0.534	50%	0.496	S	S	.	.	H	α-helix	trans	-64.6	-37.7	174.7	-76.6	168.1	0	0	0	112.4	N430 K431 D432 R438	N430-L434 WeakPolarHBondContact O-CB 3.46Å; N430-L434 VanDerWaalsContact O-CG 3.28Å; N430-L434 WeakPolarHBondContact O-CG 3.27Å; N430-L434 PolarHBondContact O-N 3.11Å; K431-L434 PolarHBondContact O-N 3.3Å; D432-L434 PolarHBondContact O-N 3.25Å; L434-R438 WeakPolarHBondContact O-CB 3.34Å; L434-R438 VanDerWaalsContact O-CG 3.29Å; L434-R438 WeakPolarHBondContact O-CG 3.22Å; L434-R438 PolarHBondContact O-N 3.44Å
435	E	83.9	Confident	84	Confident	98 Å²	98	101 Å²	101	46%	0.458	49%	0.488	S	S	.	.	H	α-helix	trans	-69.5	-42.1	176.3	-162.5	-175.9	128.5	0	0	111.8	K431 D432 R438 K439	K431-E435 PolarHBondContact O-N 3.42Å; D432-E435 PolarHBondContact O-N 3.02Å; E435-R438 PolarHBondContact O-N 2.9Å; E435-K439 WeakPolarHBondContact O-CG 3.41Å; E435-K439 PolarHBondContact O-N 3.29Å; E435-K439 WeakPolarHBondContact OE1-CE 3.45Å; E435-K439 IonicContact OE1-NZ 3.15Å; E435-K439 PolarHBondContact OE1-NZ 3.41Å
436	K	83.8	Confident	83.6	Confident	117 Å²	117	100.2 Å²	100.2	51%	0.509	48%	0.482	S	S	.	.	H	α-helix	trans	-61.2	-44.4	173	-75.7	168.1	174.7	163.1	0	111.9	D432 L433 K439 E440	D432-K436 WeakPolarHBondContact O-CB 3.08Å; D432-K436 WeakPolarHBondContact O-CG 3.12Å; D432-K436 PolarHBondContact O-N 2.74Å; D432-K436 WeakPolarHBondContact OD1-CE 3.42Å; D432-K436 IonicContact OD1-NZ 2.77Å; D432-K436 PolarHBondContact OD1-NZ 3.41Å; D432-K436 WeakPolarHBondContact OD2-CE 3.27Å; D432-K436 IonicContact OD2-NZ 2.97Å; D432-K436 PolarHBondContact OD2-NZ 3.45Å; L433-K436 PolarHBondContact O-N 2.95Å; K436-K439 PolarHBondContact O-N 3.45Å; K436-E440 PolarHBondContact O-N 3.22Å
437	Y	82.6	Confident	83.5	Confident	102 Å²	102	99 Å²	99	40%	0.4	48%	0.477	S	S	.	.	H	α-helix	trans	-61.8	-44.8	175.6	177.6	-113.7	0	0	0	112	L433 K439 E440 V441 M577	L433-Y437 VanDerWaalsContact O-CB 3.3Å; L433-Y437 WeakPolarHBondContact O-CB 3.22Å; L433-Y437 PolarHBondContact O-N 3.13Å; Y437-K439 VanDerWaalsContact C-N 3.34Å; Y437-K439 PolarHBondContact O-N 3.07Å; Y437-E440 PolarHBondContact O-N 3.01Å; Y437-V441 HydrophobicContact CD1-CG2 4.47Å; Y437-V441 HydrophobicContact CD2-CG2 4.17Å; Y437-V441 HydrophobicContact CE1-CG2 4.11Å; Y437-V441 HydrophobicContact CE2-CG2 3.78Å; Y437-V441 HydrophobicContact CG-CG2 4.5Å; Y437-V441 WeakPolarHBondContact O-CG2 3.14Å; Y437-V441 PolarHBondContact O-N 3.39Å; Y437-M577 HydrophobicContact CD1-SD 4.2Å; Y437-M577 HydrophobicContact CE1-CE 3.52Å; Y437-M577 HydrophobicContact CE1-SD 3.59Å; Y437-M577 VanDerWaalsContact CE1-SD 3.59Å; Y437-M577 WeakPolarHBondContact OH-CE 3.37Å
438	R	80.3	Confident	83.4	Confident	147 Å²	147	97.3 Å²	97.3	56%	0.555	46%	0.461	S	S	*	.	H	α-helix	trans	-60.3	-41.1	174.2	-75.6	171.4	174.5	-172.3	-2.4	112.7	L434 E435 A442	L434-R438 WeakPolarHBondContact O-CB 3.34Å; L434-R438 VanDerWaalsContact O-CG 3.29Å; L434-R438 WeakPolarHBondContact O-CG 3.22Å; L434-R438 PolarHBondContact O-N 3.44Å; E435-R438 PolarHBondContact O-N 2.9Å; R438-A442 WeakPolarHBondContact O-CB 3.3Å; R438-A442 PolarHBondContact O-N 2.91Å; R438-A442 VanDerWaalsContact O-N 3.08Å
439	K	82.1	Confident	82.9	Confident	126 Å²	126	91.9 Å²	91.9	55%	0.548	44%	0.435	S	S	.	.	H	α-helix	trans	-62.9	-43.9	175.2	-74.6	168.4	-178.7	169.1	0	111.6	E435 K436 Y437 A442 L443	E435-K439 WeakPolarHBondContact O-CG 3.41Å; E435-K439 PolarHBondContact O-N 3.29Å; E435-K439 WeakPolarHBondContact OE1-CE 3.45Å; E435-K439 IonicContact OE1-NZ 3.15Å; E435-K439 PolarHBondContact OE1-NZ 3.41Å; K436-K439 PolarHBondContact O-N 3.45Å; Y437-K439 VanDerWaalsContact C-N 3.34Å; Y437-K439 PolarHBondContact O-N 3.07Å; K439-A442 PolarHBondContact O-N 3.33Å; K439-L443 WeakPolarHBondContact O-CB 3.24Å; K439-L443 PolarHBondContact O-N 3.15Å
440	E	86.4	Confident	82.6	Confident	95 Å²	95	93.5 Å²	93.5	44%	0.444	43%	0.434	S	S	.	.	H	α-helix	trans	-68.1	-43.2	177.5	174.6	49.8	-153.5	0	0	112.5	K436 Y437 A442 L443 R444	K436-E440 PolarHBondContact O-N 3.22Å; Y437-E440 PolarHBondContact O-N 3.01Å; E440-A442 PolarHBondContact O-N 2.8Å; E440-L443 CarbonylContact O-C 3.43Å; E440-L443 PolarHBondContact O-N 3.49Å; E440-R444 WeakPolarHBondContact O-CB 3.33Å; E440-R444 PolarHBondContact O-N 3.15Å
441	V	81	Confident	82.6	Confident	42 Å²	42	94.4 Å²	94.4	26%	0.255	44%	0.438	S	S	.	.	H	α-helix	trans	-58.4	-38.9	174.3	170.7	0	0	0	0	111.3	Y437 R445 M577	Y437-V441 HydrophobicContact CD1-CG2 4.47Å; Y437-V441 HydrophobicContact CD2-CG2 4.17Å; Y437-V441 HydrophobicContact CE1-CG2 4.11Å; Y437-V441 HydrophobicContact CE2-CG2 3.78Å; Y437-V441 HydrophobicContact CG-CG2 4.5Å; Y437-V441 WeakPolarHBondContact O-CG2 3.14Å; Y437-V441 PolarHBondContact O-N 3.39Å; V441-R445 WeakPolarHBondContact O-CB 3.41Å; V441-R445 PolarHBondContact O-N 3.15Å; V441-M577 HydrophobicContact CG1-CE 4.49Å; V441-M577 HydrophobicContact CG2-CE 4.25Å
442	A	81.4	Confident	82.3	Confident	43 Å²	43	87.4 Å²	87.4	36%	0.355	41%	0.409	S	S	.	.	H	α-helix	trans	-68.6	-37.3	174.1	0	0	0	0	0	113.1	R438 K439 E440 K446	R438-A442 WeakPolarHBondContact O-CB 3.3Å; R438-A442 PolarHBondContact O-N 2.91Å; R438-A442 VanDerWaalsContact O-N 3.08Å; K439-A442 PolarHBondContact O-N 3.33Å; E440-A442 PolarHBondContact O-N 2.8Å; A442-K446 PolarHBondContact O-N 3.02Å; A442-K446 VanDerWaalsContact O-N 3.16Å
443	L	83.4	Confident	81.8	Confident	82 Å²	82	87.8 Å²	87.8	43%	0.429	41%	0.408	S	S	.	.	H	α-helix	trans	-71	-49.6	177.6	-178.3	59.8	0	0	0	111.9	K439 E440 R445 K446 L447	K439-L443 WeakPolarHBondContact O-CB 3.24Å; K439-L443 PolarHBondContact O-N 3.15Å; E440-L443 CarbonylContact O-C 3.43Å; E440-L443 PolarHBondContact O-N 3.49Å; L443-R445 VanDerWaalsContact C-N 3.28Å; L443-R445 PolarHBondContact O-N 3.33Å; L443-K446 WeakPolarHBondContact O-CA 3.45Å; L443-K446 WeakPolarHBondContact O-CB 3.01Å; L443-K446 PolarHBondContact O-N 2.91Å; L443-L447 HydrophobicContact CD1-CD1 4.2Å; L443-L447 HydrophobicContact CD1-CG 4.16Å; L443-L447 HydrophobicContact CG-CD1 3.97Å; L443-L447 HydrophobicContact CG-CG 4.36Å; L443-L447 WeakPolarHBondContact O-CG 3.33Å; L443-L447 PolarHBondContact O-N 3.13Å
444	R	82.5	Confident	81.4	Confident	150 Å²	150	90.1 Å²	90.1	57%	0.566	42%	0.42	S	S	*	.	H	α-helix	trans	-53.5	-44.4	174.5	-176	175.1	172.5	-160.9	-6.2	111.2	E440 K446 L447 H448	E440-R444 WeakPolarHBondContact O-CB 3.33Å; E440-R444 PolarHBondContact O-N 3.15Å; R444-K446 PolarHBondContact O-N 3.37Å; R444-L447 PolarHBondContact O-N 2.96Å; R444-H448 WeakPolarHBondContact O-CB 3.4Å; R444-H448 PolarHBondContact O-N 3.4Å
445	R	81	Confident	81.1	Confident	78 Å²	78	89.2 Å²	89.2	29%	0.294	41%	0.412	S	S	.	.	H	α-helix	trans	-61.2	-41.9	173.8	-174.4	-179	64.8	-152.8	-4.8	112.7	V441 L443 E449	V441-R445 WeakPolarHBondContact O-CB 3.41Å; V441-R445 PolarHBondContact O-N 3.15Å; L443-R445 VanDerWaalsContact C-N 3.28Å; L443-R445 PolarHBondContact O-N 3.33Å; R445-E449 WeakPolarHBondContact O-CB 3.13Å; R445-E449 PolarHBondContact O-N 3.03Å
446	K	82	Confident	80.6	Confident	128 Å²	128	86 Å²	86	56%	0.557	41%	0.405	S	S	*	.	H	α-helix	trans	-65.7	-45.9	177.3	-175.3	-175.6	175.4	-175.1	0	111.8	A442 L443 R444 E449 Q450	A442-K446 PolarHBondContact O-N 3.02Å; A442-K446 VanDerWaalsContact O-N 3.16Å; L443-K446 WeakPolarHBondContact O-CA 3.45Å; L443-K446 WeakPolarHBondContact O-CB 3.01Å; L443-K446 PolarHBondContact O-N 2.91Å; R444-K446 PolarHBondContact O-N 3.37Å; K446-E449 PolarHBondContact O-N 3.27Å; K446-Q450 WeakPolarHBondContact O-CG 3.34Å; K446-Q450 PolarHBondContact O-N 2.93Å
447	L	83.6	Confident	80.3	Confident	93 Å²	93	81.2 Å²	81.2	49%	0.487	39%	0.385	S	S	.	.	H	α-helix	trans	-65.5	-40.1	178.5	-67.5	173.6	0	0	0	111.7	L443 R444 E449 Q450 L451	L443-L447 HydrophobicContact CD1-CD1 4.2Å; L443-L447 HydrophobicContact CD1-CG 4.16Å; L443-L447 HydrophobicContact CG-CD1 3.97Å; L443-L447 HydrophobicContact CG-CG 4.36Å; L443-L447 WeakPolarHBondContact O-CG 3.33Å; L443-L447 PolarHBondContact O-N 3.13Å; R444-L447 PolarHBondContact O-N 2.96Å; L447-E449 VanDerWaalsContact C-N 3.34Å; L447-Q450 PolarHBondContact O-N 3.42Å; L447-L451 WeakPolarHBondContact O-CB 3.19Å; L447-L451 PolarHBondContact O-N 3.46Å
448	H	82.1	Confident	80.6	Confident	41 Å²	41	76.8 Å²	76.8	19%	0.19	37%	0.368	C	S	.	.	H	α-helix	trans	-59.5	-44.3	173.2	-173.1	86.8	0	0	0	111.8	R444 L451 V452 P523	R444-H448 WeakPolarHBondContact O-CB 3.4Å; R444-H448 PolarHBondContact O-N 3.4Å; H448-L451 PolarHBondContact O-N 3.31Å; H448-V452 WeakPolarHBondContact O-CG2 3.25Å; H448-V452 PolarHBondContact O-N 3.06Å; H448-P523 PolarHBondContact CE1-O 3.34Å; H448-P523 PolarHBondContact NE2-O 3.28Å
449	E	79.6	Confident	81.2	Confident	22 Å²	22	70.5 Å²	70.5	10%	0.103	35%	0.345	C	S	.	.	H	α-helix	trans	-62.1	-49.4	176.8	-167.7	57.4	-147.7	0	0	111.7	R445 K446 L447 L451 V452 E453 Y532 K749 A784	R445-E449 WeakPolarHBondContact O-CB 3.13Å; R445-E449 PolarHBondContact O-N 3.03Å; K446-E449 PolarHBondContact O-N 3.27Å; L447-E449 VanDerWaalsContact C-N 3.34Å; E449-L451 VanDerWaalsContact C-N 3.33Å; E449-L451 PolarHBondContact O-N 3.24Å; E449-V452 PolarHBondContact O-N 3.44Å; E449-E453 WeakPolarHBondContact O-CB 3.3Å; E449-E453 PolarHBondContact O-N 2.91Å; E449-Y532 VanDerWaalsContact CD-OH 3.28Å; E449-Y532 WeakPolarHBondContact CG-OH 3.4Å; E449-Y532 WeakPolarHBondContact OE1-CE1 3.36Å; E449-Y532 WeakPolarHBondContact OE2-CE2 3.36Å; E449-Y532 VanDerWaalsContact OE2-CZ 3.27Å; E449-K749 WeakPolarHBondContact OE1-CE 3.44Å; E449-K749 IonicContact OE1-NZ 3.79Å; E449-K749 PolarHBondContact OE1-NZ 2.91Å; E449-K749 IonicContact OE2-NZ 3.73Å; E449-K749 PolarHBondContact OE2-NZ 2.92Å; E449-A784 WeakPolarHBondContact OE1-CB 3.38Å
450	Q	80.3	Confident	81.7	Confident	86 Å²	86	64.5 Å²	64.5	40%	0.402	32%	0.319	S	S	.	.	H	α-helix	trans	-61	-39.8	178.1	-68.7	-179.1	-71.2	0	0	112.3	K446 L447 E453 L454	K446-Q450 WeakPolarHBondContact O-CG 3.34Å; K446-Q450 PolarHBondContact O-N 2.93Å; L447-Q450 PolarHBondContact O-N 3.42Å; Q450-E453 PolarHBondContact O-N 3.37Å; Q450-L454 VanDerWaalsContact O-CB 3.28Å; Q450-L454 WeakPolarHBondContact O-CB 3.41Å; Q450-L454 WeakPolarHBondContact O-CD1 3.36Å; Q450-L454 WeakPolarHBondContact O-CG 3.32Å; Q450-L454 PolarHBondContact O-N 3.04Å
451	L	81.1	Confident	82.2	Confident	95 Å²	95	60 Å²	60	50%	0.497	30%	0.297	S	S	.	.	H	α-helix	trans	-63.9	-42.5	176.8	-171	160.1	0	0	0	111.5	L447 H448 E449 K455	L447-L451 WeakPolarHBondContact O-CB 3.19Å; L447-L451 PolarHBondContact O-N 3.46Å; H448-L451 PolarHBondContact O-N 3.31Å; E449-L451 VanDerWaalsContact C-N 3.33Å; E449-L451 PolarHBondContact O-N 3.24Å; L451-K455 HydrophobicContact CD2-CD 4.16Å; L451-K455 HydrophobicContact CD2-CG 4.5Å; L451-K455 PolarHBondContact O-N 2.95Å; L451-K455 VanDerWaalsContact O-N 3.11Å
452	V	78.8	Confident	83	Confident	7 Å²	7	58 Å²	58	4%	0.042	29%	0.285	C	S	.	.	H	α-helix	trans	-72.7	-36.8	178.9	176.4	0	0	0	0	111.8	H448 E449 K455 G456 P523 L524 K749	H448-V452 WeakPolarHBondContact O-CG2 3.25Å; H448-V452 PolarHBondContact O-N 3.06Å; E449-V452 PolarHBondContact O-N 3.44Å; V452-K455 PolarHBondContact O-N 3.12Å; V452-G456 PolarHBondContact O-N 3.21Å; V452-P523 HydrophobicContact CG2-CB 4.21Å; V452-L524 HydrophobicContact CG1-CD2 3.75Å; V452-K749 HydrophobicContact CG1-CD 3.7Å
453	E	76.7	Confident	83.7	Confident	80 Å²	80	56.4 Å²	56.4	37%	0.374	27%	0.27	S	S	.	.	H	α-helix	trans	-66.3	-41.3	174.2	-177.6	166.8	-128	0	0	112	E449 Q450 K455 G456 P783	E449-E453 WeakPolarHBondContact O-CB 3.3Å; E449-E453 PolarHBondContact O-N 2.91Å; Q450-E453 PolarHBondContact O-N 3.37Å; E453-K455 VanDerWaalsContact C-N 3.25Å; E453-K455 PolarHBondContact O-N 3.41Å; E453-G456 WeakPolarHBondContact O-CA 3.17Å; E453-G456 PolarHBondContact O-N 3.1Å; E453-P783 WeakPolarHBondContact OE1-CA 3.31Å; E453-P783 WeakPolarHBondContact OE1-CB 3.32Å
454	L	75.3	Confident	84.3	Confident	158 Å²	158	52.5 Å²	52.5	83%	0.827	25%	0.25	S	C	*	.	H	α-helix	trans	-64.6	-26.7	172.8	-73.9	168.4	0	0	0	113.2	Q450 G456	Q450-L454 VanDerWaalsContact O-CB 3.28Å; Q450-L454 WeakPolarHBondContact O-CB 3.41Å; Q450-L454 WeakPolarHBondContact O-CD1 3.36Å; Q450-L454 WeakPolarHBondContact O-CG 3.32Å; Q450-L454 PolarHBondContact O-N 3.04Å; L454-G456 PolarHBondContact O-N 2.84Å
455	K	75.2	Confident	84.7	Confident	83 Å²	83	47.1 Å²	47.1	36%	0.361	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	0.1	169.7	-77.5	-169.3	171.6	-168.7	0	113.6	L451 V452 E453 R459 E520	L451-K455 HydrophobicContact CD2-CD 4.16Å; L451-K455 HydrophobicContact CD2-CG 4.5Å; L451-K455 PolarHBondContact O-N 2.95Å; L451-K455 VanDerWaalsContact O-N 3.11Å; V452-K455 PolarHBondContact O-N 3.12Å; E453-K455 VanDerWaalsContact C-N 3.25Å; E453-K455 PolarHBondContact O-N 3.41Å; K455-R459 WeakPolarHBondContact O-CG 3.28Å; K455-E520 IonicContact NZ-OE2 2.87Å; K455-E520 PolarHBondContact NZ-OE2 2.62Å
456	G	74	Confident	85.1	Confident	30 Å²	30	46 Å²	46	31%	0.309	23%	0.233	S	C	.	.			trans	82.5	141.3	178.9	0	0	0	0	0	114.3	V452 E453 L454 I458	V452-G456 PolarHBondContact O-N 3.21Å; E453-G456 WeakPolarHBondContact O-CA 3.17Å; E453-G456 PolarHBondContact O-N 3.1Å; L454-G456 PolarHBondContact O-N 2.84Å; G456-I458 VanDerWaalsContact C-N 3.27Å; G456-I458 PolarHBondContact O-N 3Å
457	N	77.6	Confident	85.3	Confident	17 Å²	17	42.4 Å²	42.4	9%	0.091	22%	0.222	C	C	.	.	S	Bend	trans	-79.1	-7.5	-177.3	-66.5	-41.7	0	0	0	114	T750 L781 G782	N457-T750 PolarHBondContact O-N 3.01Å; N457-L781 HydrophobicContact CB-CB 4.36Å; N457-G782 PolarHBondContact ND2-O 2.96Å
458	I	88.5	Confident	85.3	Confident	10 Å²	10	41.6 Å²	41.6	5%	0.051	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	122.8	158.4	-74.3	167.3	0	0	0	107.5	G456 V460 T750 V776 V779 L781	G456-I458 VanDerWaalsContact C-N 3.27Å; G456-I458 PolarHBondContact O-N 3Å; I458-V460 HydrophobicContact CG2-CG2 4.49Å; I458-T750 CarbonylContact C-O 3.55Å; I458-T750 WeakPolarHBondContact CA-O 3.49Å; I458-T750 HydrophobicContact CG1-CG2 4.1Å; I458-V776 HydrophobicContact CG2-CG1 3.47Å; I458-V776 VanDerWaalsContact CG2-CG1 3.47Å; I458-V779 HydrophobicContact CD1-CB 3.64Å; I458-V779 HydrophobicContact CD1-CG1 3.49Å; I458-V779 VanDerWaalsContact CD1-CG1 3.49Å; I458-L781 HydrophobicContact CD1-CD1 3.73Å; I458-L781 HydrophobicContact CD1-CD2 3.83Å; I458-L781 HydrophobicContact CD1-CG 3.63Å; I458-L781 HydrophobicContact CG1-CD1 3.65Å; I458-L781 HydrophobicContact CG1-CG 3.94Å
459	R	92	Very high	85	Confident	15 Å²	15	47.7 Å²	47.7	6%	0.057	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	148.1	171.7	-68.1	173.7	70.7	-151.2	0.6	110.3	K455 D505 E520 T750 V751 M752	K455-R459 WeakPolarHBondContact O-CG 3.28Å; R459-D505 HydrophobicContact CB-CB 4.42Å; R459-E520 IonicContact CZ-OE2 2.7Å; R459-E520 PolarHBondContact NH1-O 3.14Å; R459-E520 IonicContact NH1-OE2 3.75Å; R459-E520 IonicContact NH2-OE2 3.76Å; R459-E520 PolarHBondContact NH2-OE2 2.83Å; R459-T750 PolarHBondContact N-O 3.35Å; R459-V751 HydrophobicContact CB-CG2 3.95Å; R459-V751 WeakPolarHBondContact O-CA 3.37Å; R459-M752 PolarHBondContact O-N 3.02Å
460	V	94.4	Very high	84.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	110.7	177.5	-168.4	0	0	0	0	111	I458 L504 D505 M752 V754 A773 V776 C777	I458-V460 HydrophobicContact CG2-CG2 4.49Å; V460-L504 HydrophobicContact CG1-CD2 4.34Å; V460-D505 PolarHBondContact N-OD2 3.47Å; V460-D505 WeakPolarHBondContact O-CB 3.42Å; V460-D505 PolarHBondContact O-N 2.93Å; V460-D505 VanDerWaalsContact O-N 3.16Å; V460-M752 CarbonylContact C-O 3.58Å; V460-M752 WeakPolarHBondContact CA-O 3.28Å; V460-M752 HydrophobicContact CG1-CB 4.11Å; V460-M752 HydrophobicContact CG1-CG 4.05Å; V460-M752 HydrophobicContact CG1-SD 3.82Å; V460-M752 HydrophobicContact CG2-CB 4.25Å; V460-M752 HydrophobicContact CG2-SD 4.42Å; V460-V754 HydrophobicContact CG1-CG1 4.26Å; V460-A773 HydrophobicContact CG1-CB 3.66Å; V460-V776 HydrophobicContact CG2-CB 3.82Å; V460-V776 HydrophobicContact CG2-CG1 3.55Å; V460-C777 VanDerWaalsContact CB-SG 3.5Å; V460-C777 HydrophobicContact CG2-CB 4.43Å; V460-C777 WeakPolarHBondContact CG2-SG 3.46Å
461	L	96.4	Very high	84.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	122.7	-179.8	-44.2	177.9	0	0	0	108.7	D505 K506 F508 E520 I521 V751 M752 V753 V754	L461-D505 HydrophobicContact CD2-CB 4.41Å; L461-K506 CarbonylContact C-O 3.59Å; L461-K506 WeakPolarHBondContact CA-O 3.3Å; L461-K506 HydrophobicContact CD2-CB 3.82Å; L461-F508 HydrophobicContact CB-CD2 4.5Å; L461-F508 HydrophobicContact CB-CE2 3.95Å; L461-F508 HydrophobicContact CD1-CE2 4.17Å; L461-E520 HydrophobicContact CD1-CB 4.21Å; L461-I521 HydrophobicContact CD1-CD1 4.3Å; L461-I521 HydrophobicContact CD1-CG1 3.99Å; L461-V751 HydrophobicContact CD1-CG1 3.83Å; L461-V751 HydrophobicContact CG-CG1 4.11Å; L461-M752 PolarHBondContact N-O 2.92Å; L461-V753 CarbonylContact O-C 3.51Å; L461-V753 VanDerWaalsContact O-CA 3.26Å; L461-V753 WeakPolarHBondContact O-CA 3.24Å; L461-V754 PolarHBondContact O-N 2.83Å
462	C	97.3	Very high	83.2	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	140	172.6	-174.9	0	0	0	0	110.8	L504 K506 V507 F508 V754	C462-L504 HydrophobicContact CB-CD1 3.65Å; C462-K506 PolarHBondContact N-O 2.9Å; C462-V507 HydrophobicContact CB-CB 4.47Å; C462-V507 HydrophobicContact CB-CG1 4.37Å; C462-V507 HydrophobicContact CB-CG2 4.15Å; C462-F508 WeakPolarHBondContact O-CB 3.48Å; C462-F508 WeakPolarHBondContact O-CD2 3.23Å; C462-F508 PolarHBondContact O-N 3.11Å; C462-V754 CarbonylContact C-O 3.54Å; C462-V754 WeakPolarHBondContact CA-O 3.35Å; C462-V754 HydrophobicContact CB-CG1 3.72Å
463	R	96.8	Very high	82.1	Confident	9 Å²	9	60.7 Å²	60.7	3%	0.034	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	126.3	167.3	-168.7	-175.5	-163.5	168.1	11.9	109.8	F508 A512 T513 T549 V754 V756	R463-F508 HydrophobicContact CB-CB 4.28Å; R463-F508 HydrophobicContact CG-CB 4.06Å; R463-A512 PolarHBondContact NH2-O 3.04Å; R463-T513 PolarHBondContact NH2-O 3.38Å; R463-T549 PolarHBondContact NH1-OG1 3.4Å; R463-V754 PolarHBondContact N-O 2.83Å; R463-V756 PolarHBondContact O-N 2.89Å
464	V	95.1	Very high	81.3	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.006	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	129	174.2	-170.8	0	0	0	0	109.3	V481 T483 F508 P510 V756 A758	V464-V481 HydrophobicContact CG1-CG1 4.3Å; V464-V481 HydrophobicContact CG2-CG1 4.16Å; V464-T483 HydrophobicContact CG2-CG2 4.01Å; V464-F508 PolarHBondContact N-O 3.12Å; V464-P510 HydrophobicContact CB-CG 4.11Å; V464-P510 HydrophobicContact CG1-CG 3.95Å; V464-V756 HydrophobicContact CB-CG2 4.36Å; V464-V756 HydrophobicContact CG1-CG2 4.48Å; V464-V756 HydrophobicContact CG2-CG2 3.99Å; V464-A758 HydrophobicContact CG1-CB 3.84Å
465	K	91.9	Very high	80.1	Confident	36 Å²	36	65 Å²	65	16%	0.157	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	129.1	172	-170.8	-140.6	177	-168.6	0	109.3	D471 V756	K465-D471 IonicContact NZ-OD1 2.82Å; K465-D471 PolarHBondContact NZ-OD1 3.37Å; K465-D471 IonicContact NZ-OD2 3.78Å; K465-D471 PolarHBondContact NZ-OD2 2.92Å; K465-V756 PolarHBondContact N-O 2.87Å
466	P	88.8	Confident	79.3	Confident	54 Å²	54	64.6 Å²	64.6	35%	0.351	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-62.5	147.6	165.9	25.8	-32.3	0	0	0	111.2	L468 P510	P466-L468 HydrophobicContact CG-CD2 4.49Å; P466-L468 PolarHBondContact O-N 3.34Å; P466-P510 HydrophobicContact CB-CB 4.38Å; P466-P510 WeakPolarHBondContact CB-O 3.25Å; P466-P510 WeakPolarHBondContact CD-O 3.37Å
467	V	85.2	Confident	79	Confident	53 Å²	53	65.5 Å²	65.5	32%	0.321	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-70.4	118.9	169.2	-176.1	0	0	0	0	107.9	D471 Q472 V479 L759	V467-D471 HydrophobicContact CG1-CB 3.95Å; V467-Q472 HydrophobicContact CG1-CG 3.91Å; V467-V479 HydrophobicContact CG2-CG2 3.95Å; V467-L759 HydrophobicContact CG1-CD2 4.21Å; V467-L759 HydrophobicContact CG2-CD2 3.85Å
468	L	83.6	Confident	79.1	Confident	76 Å²	76	67.4 Å²	67.4	40%	0.398	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-87	160.4	177.6	-55.6	-179.8	0	0	0	109.9	P466 E470 D471 Q472	P466-L468 HydrophobicContact CG-CD2 4.49Å; P466-L468 PolarHBondContact O-N 3.34Å; L468-E470 PolarHBondContact O-N 2.89Å; L468-D471 WeakPolarHBondContact CB-OD2 3.34Å; L468-D471 PolarHBondContact N-OD2 3.49Å; L468-D471 WeakPolarHBondContact O-CB 3.49Å; L468-D471 PolarHBondContact O-N 3.43Å; L468-Q472 PolarHBondContact O-N 3.5Å
469	K	76.1	Confident	78.9	Confident	169 Å²	169	71 Å²	71	74%	0.735	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-33.6	175.2	-64.5	-174.4	178	-175	0	112.5	D471 Q472 H473	K469-D471 VanDerWaalsContact C-N 3.32Å; K469-D471 PolarHBondContact O-N 2.84Å; K469-Q472 WeakPolarHBondContact O-CB 3.23Å; K469-Q472 PolarHBondContact O-N 2.8Å; K469-Q472 VanDerWaalsContact O-N 3.15Å; K469-H473 PolarHBondContact O-CD2 3.1Å
470	E	70.2	Confident	78.7	Confident	160 Å²	160	70.5 Å²	70.5	75%	0.748	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-37.4	174	-68.2	161.8	-158.3	0	0	112.1	L468 Q472	L468-E470 PolarHBondContact O-N 2.89Å; E470-Q472 PolarHBondContact O-N 2.88Å
471	D	70.4	Confident	78.5	Confident	25 Å²	25	70.9 Å²	70.9	13%	0.134	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-69.1	-23.5	176	-53.5	-47.6	0	0	0	111.7	K465 V467 L468 K469 H473 Q477 L759	K465-D471 IonicContact NZ-OD1 2.82Å; K465-D471 PolarHBondContact NZ-OD1 3.37Å; K465-D471 IonicContact NZ-OD2 3.78Å; K465-D471 PolarHBondContact NZ-OD2 2.92Å; V467-D471 HydrophobicContact CG1-CB 3.95Å; L468-D471 WeakPolarHBondContact CB-OD2 3.34Å; L468-D471 PolarHBondContact N-OD2 3.49Å; L468-D471 WeakPolarHBondContact O-CB 3.49Å; L468-D471 PolarHBondContact O-N 3.43Å; K469-D471 VanDerWaalsContact C-N 3.32Å; K469-D471 PolarHBondContact O-N 2.84Å; D471-H473 VanDerWaalsContact C-N 3.33Å; D471-H473 PolarHBondContact O-N 3.19Å; D471-Q477 PolarHBondContact O-OE1 3.18Å; D471-L759 HydrophobicContact CB-CD1 4.12Å
472	Q	62.8	Low	78.1	Confident	133 Å²	133	75.2 Å²	75.2	62%	0.621	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-80.6	-7.6	-175.7	-66	173.7	-14.2	0	0	114.4	V467 L468 K469 E470	V467-Q472 HydrophobicContact CG1-CG 3.91Å; L468-Q472 PolarHBondContact O-N 3.5Å; K469-Q472 WeakPolarHBondContact O-CB 3.23Å; K469-Q472 PolarHBondContact O-N 2.8Å; K469-Q472 VanDerWaalsContact O-N 3.15Å; E470-Q472 PolarHBondContact O-N 2.88Å
473	H	55.4	Low	77.7	Confident	165 Å²	165	76.5 Å²	76.5	76%	0.764	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-90.6	-4.9	-179.5	-74.5	-69.6	0	0	0	114	K469 D471	K469-H473 PolarHBondContact O-CD2 3.1Å; D471-H473 VanDerWaalsContact C-N 3.33Å; D471-H473 PolarHBondContact O-N 3.19Å
474	E	59.8	Low	76.9	Confident	124 Å²	124	79.2 Å²	79.2	58%	0.579	42%	0.421	S	S	*	.	S	Bend	trans	-92.3	117.3	173	-71.8	-175.5	-170.3	0	0	111	G476 Q477	E474-G476 PolarHBondContact O-N 3.31Å; E474-Q477 HydrophobicContact CB-CG 3.94Å; E474-Q477 PolarHBondContact O-N 3.18Å; E474-Q477 PolarHBondContact OE2-NE2 2.75Å
475	E	50.8	Low	76	Confident	205 Å²	205	84.2 Å²	84.2	96%	0.958	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	129.3	176.8	-65.7	-170.6	146.4	0	0	111.5
476	G	57.8	Low	75.4	Confident	74 Å²	74	90 Å²	90	76%	0.763	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	95	3	177.1	0	0	0	0	0	116.3	E474 S478	E474-G476 PolarHBondContact O-N 3.31Å; G476-S478 PolarHBondContact O-N 3.25Å; G476-S478 VanDerWaalsContact O-N 3.13Å
477	Q	67.4	Low	75.1	Confident	50 Å²	50	90.3 Å²	90.3	23%	0.234	49%	0.485	C	S	.	.			trans	-73.7	101.6	173.4	-70.1	-155.4	12.9	0	0	113	D471 E474 L759	D471-Q477 PolarHBondContact O-OE1 3.18Å; E474-Q477 HydrophobicContact CB-CG 3.94Å; E474-Q477 PolarHBondContact O-N 3.18Å; E474-Q477 PolarHBondContact OE2-NE2 2.75Å; Q477-L759 VanDerWaalsContact OE1-CD1 3.29Å; Q477-L759 VanDerWaalsContact OE1-CD2 3.31Å
478	S	79.8	Confident	75.2	Confident	57 Å²	57	93.1 Å²	93.1	40%	0.399	49%	0.494	S	S	.	.			trans	-89.5	154	170.4	-167.3	0	0	0	0	112.9	G476 E760	G476-S478 PolarHBondContact O-N 3.25Å; G476-S478 VanDerWaalsContact O-N 3.13Å; S478-E760 WeakPolarHBondContact CB-OE2 3.3Å; S478-E760 PolarHBondContact O-N 2.82Å
479	V	85.2	Confident	75.4	Confident	85 Å²	85	90.9 Å²	90.9	52%	0.515	49%	0.485	S	S	.	.	B	Isolated β-bridge	trans	-90.1	116.3	171.8	176.7	0	0	0	0	109.4	V467 A758	V467-V479 HydrophobicContact CG2-CG2 3.95Å; V479-A758 CarbonylContact C-O 3.58Å; V479-A758 WeakPolarHBondContact CA-O 3.29Å; V479-A758 HydrophobicContact CG1-CB 4.24Å
480	V	88.4	Confident	76.2	Confident	4 Å²	4	84 Å²	84	2%	0.024	46%	0.458	C	S	.	.			trans	-114.6	-1.7	-172.7	-62.4	0	0	0	0	114.3	V493 L494 A758 E760 V763	V480-V493 CarbonylContact O-C 3.59Å; V480-V493 WeakPolarHBondContact O-CA 3.31Å; V480-L494 HydrophobicContact CB-CB 4.37Å; V480-L494 PolarHBondContact O-N 3.08Å; V480-A758 WeakPolarHBondContact CG2-O 3.43Å; V480-A758 PolarHBondContact N-O 3.36Å; V480-E760 HydrophobicContact CG1-CB 3.66Å; V480-E760 HydrophobicContact CG1-CG 3.93Å; V480-V763 HydrophobicContact CG2-CB 4.06Å; V480-V763 HydrophobicContact CG2-CG2 3.91Å
481	V	89.9	Confident	77.3	Confident	9 Å²	9	76.4 Å²	76.4	6%	0.055	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120.3	174.6	-179.7	0	0	0	0	109.1	V464 L491 T492 V493 A758 T766	V464-V481 HydrophobicContact CG1-CG1 4.3Å; V464-V481 HydrophobicContact CG2-CG1 4.16Å; V481-L491 HydrophobicContact CG1-CD1 3.96Å; V481-T492 WeakPolarHBondContact CA-O 3.49Å; V481-V493 HydrophobicContact CG2-CG1 4.36Å; V481-V493 HydrophobicContact CG2-CG2 4.2Å; V481-A758 HydrophobicContact CB-CB 4.22Å; V481-T766 HydrophobicContact CG2-CG2 4.04Å
482	T	88.3	Confident	78.4	Confident	90 Å²	90	77.2 Å²	77.2	55%	0.552	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	143.5	171.9	46.1	0	0	0	0	110.8	T492	T482-T492 PolarHBondContact N-O 2.89Å; T482-T492 PolarHBondContact O-N 2.84Å; T482-T492 PolarHBondContact OG1-O 3.38Å
483	T	87.8	Confident	79.9	Confident	27 Å²	27	70.9 Å²	70.9	17%	0.166	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	134.4	-173.8	37.2	0	0	0	0	108.7	V464 P485 L491 V507 Q509	V464-T483 HydrophobicContact CG2-CG2 4.01Å; T483-P485 WeakPolarHBondContact O-CD 3.45Å; T483-L491 HydrophobicContact CG2-CB 3.73Å; T483-V507 HydrophobicContact CG2-CG1 3.69Å; T483-Q509 VanDerWaalsContact CB-OE1 3.3Å; T483-Q509 PolarHBondContact OG1-OE1 2.92Å
484	D	81.3	Confident	81.6	Confident	67 Å²	67	67.1 Å²	67.1	36%	0.358	38%	0.384	S	S	.	.			trans	-84.1	122.1	-177.5	-174.9	-7.7	0	0	0	110.2	N486 N487 Q509	D484-N486 PolarHBondContact O-N 3.29Å; D484-N486 WeakPolarHBondContact OD1-CB 3.44Å; D484-N486 PolarHBondContact OD1-N 3.12Å; D484-N487 HydrophobicContact CB-CB 4.03Å; D484-N487 PolarHBondContact O-N 2.82Å; D484-Q509 PolarHBondContact O-NE2 2.84Å
485	P	76.3	Confident	83	Confident	105 Å²	105	62.5 Å²	62.5	68%	0.682	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-25.9	173.8	-22.7	34.9	0	0	0	113.9	T483	T483-P485 WeakPolarHBondContact O-CD 3.45Å
486	N	78.9	Confident	84.5	Confident	157 Å²	157	62.2 Å²	62.2	84%	0.84	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-11.9	-178.7	-59.1	-43.5	0	0	0	113.2	D484	D484-N486 PolarHBondContact O-N 3.29Å; D484-N486 WeakPolarHBondContact OD1-CB 3.44Å; D484-N486 PolarHBondContact OD1-N 3.12Å
487	N	82.3	Confident	85.6	Confident	62 Å²	62	62.1 Å²	62.1	33%	0.332	36%	0.36	S	S	.	.			trans	-132.4	86.6	-178.1	-174.8	5.7	0	0	0	112.2	D484 S489 S490	D484-N487 HydrophobicContact CB-CB 4.03Å; D484-N487 PolarHBondContact O-N 2.82Å; N487-S489 PolarHBondContact O-N 2.92Å; N487-S489 PolarHBondContact OD1-N 2.79Å; N487-S489 VanDerWaalsContact OD1-N 3.16Å; N487-S489 PolarHBondContact OD1-OG 2.89Å; N487-S490 PolarHBondContact ND2-OG 3.41Å; N487-S490 PolarHBondContact O-N 3.27Å; N487-S490 PolarHBondContact O-OG 2.84Å
488	E	86.8	Confident	86.5	Confident	111 Å²	111	67.2 Å²	67.2	52%	0.519	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-8.4	177.7	-64.7	-163.7	140.8	0	0	115	K506 V507	E488-K506 CarbonylContact O-C 3.58Å; E488-K506 WeakPolarHBondContact O-CA 3.24Å; E488-K506 IonicContact OE1-NZ 3.5Å; E488-K506 PolarHBondContact OE1-NZ 3.39Å; E488-K506 WeakPolarHBondContact OE2-CE 3.46Å; E488-K506 IonicContact OE2-NZ 2.73Å; E488-K506 PolarHBondContact OE2-NZ 3.37Å; E488-V507 WeakPolarHBondContact O-CB 3.48Å; E488-V507 PolarHBondContact O-N 3.26Å
489	S	88.9	Confident	87	Confident	29 Å²	29	66.9 Å²	66.9	20%	0.203	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-12.3	176.3	78.5	0	0	0	0	113.9	N487 E503 L504 V507	N487-S489 PolarHBondContact O-N 2.92Å; N487-S489 PolarHBondContact OD1-N 2.79Å; N487-S489 VanDerWaalsContact OD1-N 3.16Å; N487-S489 PolarHBondContact OD1-OG 2.89Å; S489-E503 WeakPolarHBondContact O-CA 3.3Å; S489-L504 WeakPolarHBondContact CA-O 3.22Å; S489-L504 WeakPolarHBondContact CB-O 3.42Å; S489-L504 PolarHBondContact O-N 3.44Å; S489-V507 WeakPolarHBondContact O-CG2 3.34Å
490	S	91.4	Very high	87.4	Confident	25 Å²	25	68.9 Å²	68.9	18%	0.175	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.6	-162	78.6	0	0	0	0	115.6	N487 F502	N487-S490 PolarHBondContact ND2-OG 3.41Å; N487-S490 PolarHBondContact O-N 3.27Å; N487-S490 PolarHBondContact O-OG 2.84Å; S490-F502 WeakPolarHBondContact CA-O 3.46Å
491	L	93.7	Very high	87.6	Confident	1 Å²	1	73 Å²	73	1%	0.005	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	151	165.1	68.6	162	0	0	0	111.8	V481 T483 S501 F502 L504 V507 L770	V481-L491 HydrophobicContact CG1-CD1 3.96Å; T483-L491 HydrophobicContact CG2-CB 3.73Å; L491-S501 CarbonylContact O-C 3.59Å; L491-S501 VanDerWaalsContact O-CA 3.32Å; L491-S501 WeakPolarHBondContact O-CA 3.45Å; L491-F502 HydrophobicContact CD2-CB 4.03Å; L491-F502 HydrophobicContact CG-CB 4.44Å; L491-F502 PolarHBondContact N-O 3.31Å; L491-F502 PolarHBondContact O-N 2.89Å; L491-L504 HydrophobicContact CD2-CD1 4.03Å; L491-V507 HydrophobicContact CB-CG1 4.08Å; L491-V507 HydrophobicContact CD2-CG1 4.23Å; L491-V507 HydrophobicContact CD2-CG2 3.78Å; L491-L770 HydrophobicContact CD1-CD1 3.73Å; L491-L770 HydrophobicContact CD1-CD2 3.96Å; L491-L770 HydrophobicContact CD2-CD2 4.15Å; L491-L770 HydrophobicContact CG-CD1 4.32Å
492	T	93.3	Very high	87.8	Confident	41 Å²	41	73.1 Å²	73.1	25%	0.252	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.4	175.3	-63.5	0	0	0	0	110.6	V481 T482 R500 S501	V481-T492 WeakPolarHBondContact CA-O 3.49Å; T482-T492 PolarHBondContact N-O 2.89Å; T482-T492 PolarHBondContact O-N 2.84Å; T482-T492 PolarHBondContact OG1-O 3.38Å; T492-R500 WeakPolarHBondContact CA-O 3.34Å; T492-S501 PolarHBondContact OG1-OG 3.41Å
493	V	93.6	Very high	87.9	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	118.9	177.1	-171.9	0	0	0	0	109.5	V480 V481 G499 R500 F502 V763 T766 L767 L770	V480-V493 CarbonylContact O-C 3.59Å; V480-V493 WeakPolarHBondContact O-CA 3.31Å; V481-V493 HydrophobicContact CG2-CG1 4.36Å; V481-V493 HydrophobicContact CG2-CG2 4.2Å; V493-G499 CarbonylContact O-C 3.52Å; V493-R500 PolarHBondContact N-O 3.17Å; V493-R500 PolarHBondContact O-N 2.99Å; V493-F502 HydrophobicContact CB-CE2 4.45Å; V493-F502 HydrophobicContact CG2-CD2 4.24Å; V493-F502 HydrophobicContact CG2-CE2 4.1Å; V493-V763 HydrophobicContact CG1-CG2 3.76Å; V493-T766 HydrophobicContact CG1-CG2 4.29Å; V493-T766 HydrophobicContact CG2-CG2 4.14Å; V493-L767 HydrophobicContact CB-CD2 3.92Å; V493-L767 HydrophobicContact CG1-CD2 3.94Å; V493-L767 HydrophobicContact CG1-CG 4.09Å; V493-L767 HydrophobicContact CG2-CD2 4.45Å; V493-L770 HydrophobicContact CG2-CD1 3.51Å
494	L	91.7	Very high	88.2	Confident	86 Å²	86	74.3 Å²	74.3	45%	0.45	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	130.2	173.4	-174.4	63.3	0	0	0	109.8	V480 V763	V480-L494 HydrophobicContact CB-CB 4.37Å; V480-L494 PolarHBondContact O-N 3.08Å; L494-V763 VanDerWaalsContact O-CG2 3.3Å; L494-V763 WeakPolarHBondContact O-CG2 3.46Å
495	S	88.8	Confident	88.7	Confident	27 Å²	27	74.3 Å²	74.3	19%	0.189	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	115.6	178.2	153.2	0	0	0	0	110.2	G497 K498	S495-G497 VanDerWaalsContact C-N 3.33Å; S495-G497 PolarHBondContact O-N 2.78Å; S495-K498 PolarHBondContact N-O 3.28Å; S495-K498 PolarHBondContact O-N 2.83Å; S495-K498 VanDerWaalsContact O-N 3.1Å
496	K	83.8	Confident	89.5	Confident	200 Å²	200	70.6 Å²	70.6	87%	0.87	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	50.7	-179	-56	-169.2	176.8	-166	0	112.2	K498	K496-K498 PolarHBondContact O-N 3.35Å
497	G	79.7	Confident	90.3	Very high	72 Å²	72	63.3 Å²	63.3	74%	0.742	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	2	-179	0	0	0	0	0	116	S495	S495-G497 VanDerWaalsContact C-N 3.33Å; S495-G497 PolarHBondContact O-N 2.78Å
498	K	87.3	Confident	90.9	Very high	157 Å²	157	60.9 Å²	60.9	68%	0.683	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	117.5	178	-63	-170.9	178.9	-172.8	0	111	S495 K496	S495-K498 PolarHBondContact N-O 3.28Å; S495-K498 PolarHBondContact O-N 2.83Å; S495-K498 VanDerWaalsContact O-N 3.1Å; K496-K498 PolarHBondContact O-N 3.35Å
499	G	89.7	Confident	91.2	Very high	49 Å²	49	58.2 Å²	58.2	51%	0.505	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	145.9	169.5	0	0	0	0	0	111.7	V493	V493-G499 CarbonylContact O-C 3.52Å
500	R	93.5	Very high	91.3	Very high	128 Å²	128	58.4 Å²	58.4	48%	0.483	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	113.9	170.9	-66.9	-179.2	-178.7	-113.8	1	109.2	T492 V493 F502 L767	T492-R500 WeakPolarHBondContact CA-O 3.34Å; V493-R500 PolarHBondContact N-O 3.17Å; V493-R500 PolarHBondContact O-N 2.99Å; R500-F502 HydrophobicContact CB-CE2 4.02Å; R500-F502 WeakPolarHBondContact O-CD2 3.44Å; R500-L767 HydrophobicContact CB-CD2 4.48Å
501	S	92.6	Very high	91.2	Very high	90 Å²	90	65.3 Å²	65.3	63%	0.629	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	144.5	176	-48.7	0	0	0	0	111.2	L491 T492	L491-S501 CarbonylContact O-C 3.59Å; L491-S501 VanDerWaalsContact O-CA 3.32Å; L491-S501 WeakPolarHBondContact O-CA 3.45Å; T492-S501 PolarHBondContact OG1-OG 3.41Å
502	F	93.6	Very high	91.2	Very high	11 Å²	11	66 Å²	66	5%	0.048	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	140.5	175.7	-64	-93.3	0	0	0	108.4	S490 L491 V493 R500 L767 L770 K771	S490-F502 WeakPolarHBondContact CA-O 3.46Å; L491-F502 HydrophobicContact CD2-CB 4.03Å; L491-F502 HydrophobicContact CG-CB 4.44Å; L491-F502 PolarHBondContact N-O 3.31Å; L491-F502 PolarHBondContact O-N 2.89Å; V493-F502 HydrophobicContact CB-CE2 4.45Å; V493-F502 HydrophobicContact CG2-CD2 4.24Å; V493-F502 HydrophobicContact CG2-CE2 4.1Å; R500-F502 HydrophobicContact CB-CE2 4.02Å; R500-F502 WeakPolarHBondContact O-CD2 3.44Å; F502-L767 HydrophobicContact CE2-CD2 3.72Å; F502-L767 HydrophobicContact CZ-CD2 3.76Å; F502-L770 HydrophobicContact CD1-CB 3.71Å; F502-L770 HydrophobicContact CD2-CB 4.09Å; F502-L770 HydrophobicContact CD2-CD1 3.81Å; F502-L770 HydrophobicContact CE1-CB 3.73Å; F502-L770 HydrophobicContact CE2-CB 4.11Å; F502-L770 HydrophobicContact CE2-CD1 3.98Å; F502-L770 HydrophobicContact CG-CB 3.89Å; F502-L770 HydrophobicContact CG-CD1 4.27Å; F502-L770 HydrophobicContact CZ-CB 3.93Å; F502-K771 HydrophobicContact CE1-CG 4.02Å; F502-K771 HydrophobicContact CZ-CG 4.38Å
503	E	91.9	Very high	91.3	Very high	134 Å²	134	66.9 Å²	66.9	63%	0.626	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.2	178.4	-176.8	174.7	-148.4	0	0	108.3	S489	S489-E503 WeakPolarHBondContact O-CA 3.3Å
504	L	93.3	Very high	91.4	Very high	9 Å²	9	67.1 Å²	67.1	5%	0.047	36%	0.362	C	S	.	.			trans	-148.1	167.5	-170.9	-61.2	174	0	0	0	109.3	V460 C462 S489 L491 K506 V754 L770 A773 C777	V460-L504 HydrophobicContact CG1-CD2 4.34Å; C462-L504 HydrophobicContact CB-CD1 3.65Å; S489-L504 WeakPolarHBondContact CA-O 3.22Å; S489-L504 WeakPolarHBondContact CB-O 3.42Å; S489-L504 PolarHBondContact O-N 3.44Å; L491-L504 HydrophobicContact CD2-CD1 4.03Å; L504-K506 VanDerWaalsContact C-N 3.27Å; L504-K506 PolarHBondContact O-N 3.49Å; L504-V754 HydrophobicContact CD1-CG1 4.2Å; L504-L770 HydrophobicContact CD1-CD2 4.01Å; L504-A773 HydrophobicContact CD1-CB 4.26Å; L504-A773 HydrophobicContact CD2-CB 3.76Å; L504-C777 VanDerWaalsContact CD2-SG 3.51Å
505	D	91.8	Very high	91.6	Very high	66 Å²	66	67 Å²	67	35%	0.353	36%	0.359	S	S	.	.	S	Bend	trans	-64.6	-27	-173.9	-54.2	-102	0	0	0	114.4	R459 V460 L461 C777	R459-D505 HydrophobicContact CB-CB 4.42Å; V460-D505 PolarHBondContact N-OD2 3.47Å; V460-D505 WeakPolarHBondContact O-CB 3.42Å; V460-D505 PolarHBondContact O-N 2.93Å; V460-D505 VanDerWaalsContact O-N 3.16Å; L461-D505 HydrophobicContact CD2-CB 4.41Å; D505-C777 PolarHBondContact OD2-SG 2.94Å; D505-C777 VanDerWaalsContact OD2-SG 3.38Å
506	K	93.7	Very high	91.9	Very high	28 Å²	28	70.1 Å²	70.1	12%	0.122	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	154.1	166.5	-169.9	137	168.3	160.5	0	111.3	L461 C462 E488 L504 F508 E520	L461-K506 CarbonylContact C-O 3.59Å; L461-K506 WeakPolarHBondContact CA-O 3.3Å; L461-K506 HydrophobicContact CD2-CB 3.82Å; C462-K506 PolarHBondContact N-O 2.9Å; E488-K506 CarbonylContact O-C 3.58Å; E488-K506 WeakPolarHBondContact O-CA 3.24Å; E488-K506 IonicContact OE1-NZ 3.5Å; E488-K506 PolarHBondContact OE1-NZ 3.39Å; E488-K506 WeakPolarHBondContact OE2-CE 3.46Å; E488-K506 IonicContact OE2-NZ 2.73Å; E488-K506 PolarHBondContact OE2-NZ 3.37Å; L504-K506 VanDerWaalsContact C-N 3.27Å; L504-K506 PolarHBondContact O-N 3.49Å; K506-F508 HydrophobicContact CD-CE1 4.48Å; K506-F508 HydrophobicContact CG-CE1 4.46Å; K506-F508 HydrophobicContact CG-CZ 4.4Å; K506-E520 HydrophobicContact CD-CG 3.93Å; K506-E520 WeakPolarHBondContact CD-OE1 3.44Å; K506-E520 WeakPolarHBondContact CE-OE1 3.38Å; K506-E520 IonicContact NZ-OE1 3.29Å; K506-E520 PolarHBondContact NZ-OE1 3.23Å
507	V	95.6	Very high	92.5	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.024	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	104.8	179.7	-177.9	0	0	0	0	109.5	C462 T483 E488 S489 L491 Q509	C462-V507 HydrophobicContact CB-CB 4.47Å; C462-V507 HydrophobicContact CB-CG1 4.37Å; C462-V507 HydrophobicContact CB-CG2 4.15Å; T483-V507 HydrophobicContact CG2-CG1 3.69Å; E488-V507 WeakPolarHBondContact O-CB 3.48Å; E488-V507 PolarHBondContact O-N 3.26Å; S489-V507 WeakPolarHBondContact O-CG2 3.34Å; L491-V507 HydrophobicContact CB-CG1 4.08Å; L491-V507 HydrophobicContact CD2-CG1 4.23Å; L491-V507 HydrophobicContact CD2-CG2 3.78Å; V507-Q509 PolarHBondContact O-N 2.86Å
508	F	95.4	Very high	93.3	Very high	10 Å²	10	57.6 Å²	57.6	4%	0.044	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	120.2	174.6	-63.7	-71.5	0	0	0	111	L461 C462 R463 V464 K506 A512 V517 E520	L461-F508 HydrophobicContact CB-CD2 4.5Å; L461-F508 HydrophobicContact CB-CE2 3.95Å; L461-F508 HydrophobicContact CD1-CE2 4.17Å; C462-F508 WeakPolarHBondContact O-CB 3.48Å; C462-F508 WeakPolarHBondContact O-CD2 3.23Å; C462-F508 PolarHBondContact O-N 3.11Å; R463-F508 HydrophobicContact CB-CB 4.28Å; R463-F508 HydrophobicContact CG-CB 4.06Å; V464-F508 PolarHBondContact N-O 3.12Å; K506-F508 HydrophobicContact CD-CE1 4.48Å; K506-F508 HydrophobicContact CG-CE1 4.46Å; K506-F508 HydrophobicContact CG-CZ 4.4Å; F508-A512 HydrophobicContact CB-CB 3.79Å; F508-A512 HydrophobicContact CD1-CB 4.23Å; F508-A512 HydrophobicContact CG-CB 4.42Å; F508-V517 HydrophobicContact CB-CG2 4.32Å; F508-V517 HydrophobicContact CD1-CG2 3.85Å; F508-V517 HydrophobicContact CD2-CG2 3.84Å; F508-V517 HydrophobicContact CE1-CG2 4.03Å; F508-V517 HydrophobicContact CE2-CB 4.35Å; F508-V517 HydrophobicContact CE2-CG1 4.19Å; F508-V517 HydrophobicContact CE2-CG2 4.01Å; F508-V517 HydrophobicContact CG-CG2 3.75Å; F508-V517 HydrophobicContact CZ-CB 4.29Å; F508-V517 HydrophobicContact CZ-CG2 4.11Å; F508-E520 HydrophobicContact CE1-CG 4.36Å; F508-E520 HydrophobicContact CZ-CB 4.06Å; F508-E520 HydrophobicContact CZ-CG 3.89Å
509	Q	91.9	Very high	93.7	Very high	55 Å²	55	55.4 Å²	55.4	26%	0.257	29%	0.288	S	S	.	.			trans	-54.9	156.9	174.7	-62.2	-71	-13.3	0	0	112	T483 D484 V507 H511 A512	T483-Q509 VanDerWaalsContact CB-OE1 3.3Å; T483-Q509 PolarHBondContact OG1-OE1 2.92Å; D484-Q509 PolarHBondContact O-NE2 2.84Å; V507-Q509 PolarHBondContact O-N 2.86Å; Q509-H511 PolarHBondContact O-N 3.11Å; Q509-A512 WeakPolarHBondContact O-CB 3.43Å; Q509-A512 PolarHBondContact O-N 2.65Å
510	P	90.8	Very high	93.8	Very high	33 Å²	33	54.5 Å²	54.5	21%	0.214	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-28.3	178.9	-27.4	34.4	0	0	0	115.3	V464 P466	V464-P510 HydrophobicContact CB-CG 4.11Å; V464-P510 HydrophobicContact CG1-CG 3.95Å; P466-P510 HydrophobicContact CB-CB 4.38Å; P466-P510 WeakPolarHBondContact CB-O 3.25Å; P466-P510 WeakPolarHBondContact CD-O 3.37Å
511	H	89.8	Confident	93.9	Very high	170 Å²	170	48.4 Å²	48.4	79%	0.787	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-4.7	-179.2	-54.3	105.1	0	0	0	114.1	Q509 T513	Q509-H511 PolarHBondContact O-N 3.11Å; H511-T513 PolarHBondContact O-N 2.91Å
512	A	93.1	Very high	94	Very high	17 Å²	17	47.2 Å²	47.2	14%	0.14	23%	0.232	C	C	.	.			trans	-65.4	124.7	-172.6	0	0	0	0	0	112.7	R463 F508 Q509	R463-A512 PolarHBondContact NH2-O 3.04Å; F508-A512 HydrophobicContact CB-CB 3.79Å; F508-A512 HydrophobicContact CD1-CB 4.23Å; F508-A512 HydrophobicContact CG-CB 4.42Å; Q509-A512 WeakPolarHBondContact O-CB 3.43Å; Q509-A512 PolarHBondContact O-N 2.65Å
513	T	95.4	Very high	93.9	Very high	59 Å²	59	48.3 Å²	48.3	36%	0.362	24%	0.24	S	C	.	.			trans	-69.7	169.7	-177.1	68	0	0	0	0	112.7	R463 H511 E515 E516 V517	R463-T513 PolarHBondContact NH2-O 3.38Å; H511-T513 PolarHBondContact O-N 2.91Å; T513-E515 PolarHBondContact O-N 2.83Å; T513-E515 PolarHBondContact OG1-N 2.88Å; T513-E516 WeakPolarHBondContact CA-OE2 3.37Å; T513-E516 VanDerWaalsContact CB-OE2 3.25Å; T513-E516 WeakPolarHBondContact CB-OE2 3.45Å; T513-E516 WeakPolarHBondContact CG2-OE2 3.49Å; T513-E516 PolarHBondContact N-OE2 3.43Å; T513-E516 VanDerWaalsContact OG1-CD 3.24Å; T513-E516 WeakPolarHBondContact OG1-CG 3.33Å; T513-E516 PolarHBondContact OG1-N 2.96Å; T513-E516 PolarHBondContact OG1-OE2 2.78Å; T513-V517 WeakPolarHBondContact O-CG2 3.43Å; T513-V517 PolarHBondContact O-N 3.34Å
514	Q	95.9	Very high	93.9	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.019	21%	0.212	C	C	.	.	H	α-helix	trans	-69.9	-17.7	170.8	-57.8	-79.4	60.7	0	0	112.7	F518 Y548 N556 P557 R562	Q514-F518 VanDerWaalsContact O-CB 3.28Å; Q514-F518 WeakPolarHBondContact O-CB 3.48Å; Q514-F518 PolarHBondContact O-N 2.89Å; Q514-Y548 HydrophobicContact CG-CE1 4.49Å; Q514-Y548 PolarHBondContact NE2-O 2.9Å; Q514-N556 WeakPolarHBondContact CB-OD1 3.41Å; Q514-N556 HydrophobicContact CG-CB 4.27Å; Q514-N556 WeakPolarHBondContact CG-OD1 3.4Å; Q514-N556 PolarHBondContact NE2-O 2.96Å; Q514-P557 WeakPolarHBondContact CB-O 3.32Å; Q514-R562 WeakPolarHBondContact O-CD 3.44Å; Q514-R562 PolarHBondContact O-NE 3.32Å
515	E	95.6	Very high	94	Very high	83 Å²	83	41.8 Å²	41.8	39%	0.388	21%	0.21	S	C	.	.	H	α-helix	trans	-79.2	-51.5	179.7	-157.6	72.2	-97	0	0	110.4	T513 V517 F518 Q519 R562	T513-E515 PolarHBondContact O-N 2.83Å; T513-E515 PolarHBondContact OG1-N 2.88Å; E515-V517 VanDerWaalsContact C-N 3.28Å; E515-V517 PolarHBondContact O-N 3.32Å; E515-F518 CarbonylContact O-C 3.35Å; E515-F518 WeakPolarHBondContact O-CA 3.49Å; E515-F518 WeakPolarHBondContact O-CB 3.16Å; E515-F518 PolarHBondContact O-N 2.8Å; E515-Q519 WeakPolarHBondContact O-CG 3.5Å; E515-Q519 PolarHBondContact O-N 3.22Å; E515-R562 IonicContact OE1-CZ 3.7Å; E515-R562 IonicContact OE1-NH1 2.81Å; E515-R562 PolarHBondContact OE1-NH1 3Å; E515-R562 IonicContact OE2-CZ 2.73Å; E515-R562 IonicContact OE2-NH1 2.75Å; E515-R562 PolarHBondContact OE2-NH1 3.38Å; E515-R562 IonicContact OE2-NH2 3.45Å
516	E	95.2	Very high	94.1	Very high	93 Å²	93	39.3 Å²	39.3	44%	0.435	20%	0.197	S	C	.	.	H	α-helix	trans	-60.7	-37.6	178.5	-65.9	148.7	150.7	0	0	111.8	T513 F518	T513-E516 WeakPolarHBondContact CA-OE2 3.37Å; T513-E516 VanDerWaalsContact CB-OE2 3.25Å; T513-E516 WeakPolarHBondContact CB-OE2 3.45Å; T513-E516 WeakPolarHBondContact CG2-OE2 3.49Å; T513-E516 PolarHBondContact N-OE2 3.43Å; T513-E516 VanDerWaalsContact OG1-CD 3.24Å; T513-E516 WeakPolarHBondContact OG1-CG 3.33Å; T513-E516 PolarHBondContact OG1-N 2.96Å; T513-E516 PolarHBondContact OG1-OE2 2.78Å; E516-F518 VanDerWaalsContact C-N 3.33Å
517	V	95.9	Very high	94	Very high	1 Å²	1	38 Å²	38	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-68.2	-32.6	173.3	175.3	0	0	0	0	112.1	F508 T513 E515 I521 T549	F508-V517 HydrophobicContact CB-CG2 4.32Å; F508-V517 HydrophobicContact CD1-CG2 3.85Å; F508-V517 HydrophobicContact CD2-CG2 3.84Å; F508-V517 HydrophobicContact CE1-CG2 4.03Å; F508-V517 HydrophobicContact CE2-CB 4.35Å; F508-V517 HydrophobicContact CE2-CG1 4.19Å; F508-V517 HydrophobicContact CE2-CG2 4.01Å; F508-V517 HydrophobicContact CG-CG2 3.75Å; F508-V517 HydrophobicContact CZ-CB 4.29Å; F508-V517 HydrophobicContact CZ-CG2 4.11Å; T513-V517 WeakPolarHBondContact O-CG2 3.43Å; T513-V517 PolarHBondContact O-N 3.34Å; E515-V517 VanDerWaalsContact C-N 3.28Å; E515-V517 PolarHBondContact O-N 3.32Å; V517-I521 HydrophobicContact CG1-CD1 4.48Å; V517-I521 WeakPolarHBondContact O-CD1 3.25Å; V517-T549 HydrophobicContact CG1-CG2 4.02Å
518	F	97.4	Very high	93.9	Very high	8 Å²	8	37.8 Å²	37.8	4%	0.035	19%	0.19	C	C	.	.	H	α-helix	trans	-77.1	-35.5	177.7	179.1	-108.1	0	0	0	112.8	Q514 E515 E516 E520 I521 E522 V525 R562 A563 H566	Q514-F518 VanDerWaalsContact O-CB 3.28Å; Q514-F518 WeakPolarHBondContact O-CB 3.48Å; Q514-F518 PolarHBondContact O-N 2.89Å; E515-F518 CarbonylContact O-C 3.35Å; E515-F518 WeakPolarHBondContact O-CA 3.49Å; E515-F518 WeakPolarHBondContact O-CB 3.16Å; E515-F518 PolarHBondContact O-N 2.8Å; E516-F518 VanDerWaalsContact C-N 3.33Å; F518-E520 PolarHBondContact O-N 2.81Å; F518-I521 CarbonylContact O-C 3.49Å; F518-I521 WeakPolarHBondContact O-CA 3.36Å; F518-I521 WeakPolarHBondContact O-CB 3.44Å; F518-I521 PolarHBondContact O-N 2.79Å; F518-E522 HydrophobicContact CD1-CB 4.34Å; F518-E522 HydrophobicContact CE1-CB 3.82Å; F518-E522 HydrophobicContact CE1-CG 3.91Å; F518-E522 HydrophobicContact CZ-CB 3.93Å; F518-E522 HydrophobicContact CZ-CG 4.11Å; F518-E522 PolarHBondContact O-N 3.23Å; F518-V525 HydrophobicContact CE2-CG2 4.17Å; F518-V525 HydrophobicContact CZ-CG2 4.3Å; F518-R562 HydrophobicContact CB-CB 4.31Å; F518-R562 HydrophobicContact CD1-CB 3.87Å; F518-R562 HydrophobicContact CD2-CB 3.53Å; F518-R562 HydrophobicContact CE1-CB 4.09Å; F518-R562 HydrophobicContact CE2-CB 3.79Å; F518-R562 HydrophobicContact CG-CB 3.59Å; F518-R562 HydrophobicContact CG-CG 4.34Å; F518-R562 HydrophobicContact CZ-CB 4.06Å; F518-A563 HydrophobicContact CE2-CB 3.95Å; F518-A563 VanDerWaalsContact CE2-N 3.29Å; F518-H566 HydrophobicContact CE1-CB 4.27Å; F518-H566 HydrophobicContact CZ-CB 3.89Å
519	Q	95.3	Very high	93.8	Very high	111 Å²	111	37.4 Å²	37.4	52%	0.519	19%	0.188	S	C	.	.	H	α-helix	trans	-58.1	-32.1	179.8	-74.7	168	-11.9	0	0	113.5	E515 I521 P523	E515-Q519 WeakPolarHBondContact O-CG 3.5Å; E515-Q519 PolarHBondContact O-N 3.22Å; Q519-I521 VanDerWaalsContact C-N 3.26Å; Q519-I521 PolarHBondContact O-N 2.85Å; Q519-P523 WeakPolarHBondContact O-CD 3.47Å
520	E	92.9	Very high	93.7	Very high	30 Å²	30	35 Å²	35	14%	0.14	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-11.1	174.1	-75.8	-72.1	176.4	0	0	114.4	K455 R459 L461 K506 F508 F518	K455-E520 IonicContact NZ-OE2 2.87Å; K455-E520 PolarHBondContact NZ-OE2 2.62Å; R459-E520 IonicContact CZ-OE2 2.7Å; R459-E520 PolarHBondContact NH1-O 3.14Å; R459-E520 IonicContact NH1-OE2 3.75Å; R459-E520 IonicContact NH2-OE2 3.76Å; R459-E520 PolarHBondContact NH2-OE2 2.83Å; L461-E520 HydrophobicContact CD1-CB 4.21Å; K506-E520 HydrophobicContact CD-CG 3.93Å; K506-E520 WeakPolarHBondContact CD-OE1 3.44Å; K506-E520 WeakPolarHBondContact CE-OE1 3.38Å; K506-E520 IonicContact NZ-OE1 3.29Å; K506-E520 PolarHBondContact NZ-OE1 3.23Å; F508-E520 HydrophobicContact CE1-CG 4.36Å; F508-E520 HydrophobicContact CZ-CB 4.06Å; F508-E520 HydrophobicContact CZ-CG 3.89Å; F518-E520 PolarHBondContact O-N 2.81Å
521	I	94.4	Very high	93.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-30	-174.5	-62.6	176.8	0	0	0	111.1	L461 V517 F518 Q519 P523 L524 I536 I559 V753	L461-I521 HydrophobicContact CD1-CD1 4.3Å; L461-I521 HydrophobicContact CD1-CG1 3.99Å; V517-I521 HydrophobicContact CG1-CD1 4.48Å; V517-I521 WeakPolarHBondContact O-CD1 3.25Å; F518-I521 CarbonylContact O-C 3.49Å; F518-I521 WeakPolarHBondContact O-CA 3.36Å; F518-I521 WeakPolarHBondContact O-CB 3.44Å; F518-I521 PolarHBondContact O-N 2.79Å; Q519-I521 VanDerWaalsContact C-N 3.26Å; Q519-I521 PolarHBondContact O-N 2.85Å; I521-P523 VanDerWaalsContact C-N 3.31Å; I521-L524 WeakPolarHBondContact O-CB 3.37Å; I521-L524 PolarHBondContact O-N 3.41Å; I521-I536 HydrophobicContact CD1-CG2 4.27Å; I521-I536 HydrophobicContact CG2-CD1 3.45Å; I521-I536 VanDerWaalsContact CG2-CD1 3.45Å; I521-I536 HydrophobicContact CG2-CG1 4Å; I521-I536 HydrophobicContact CG2-CG2 4.32Å; I521-I559 HydrophobicContact CD1-CD1 3.46Å; I521-I559 VanDerWaalsContact CD1-CD1 3.46Å; I521-I559 HydrophobicContact CD1-CG1 3.97Å; I521-I559 HydrophobicContact CG2-CG2 4.27Å; I521-V753 HydrophobicContact CD1-CG2 4.2Å
522	E	94.6	Very high	93.6	Very high	66 Å²	66	26.6 Å²	26.6	31%	0.308	14%	0.135	S	C	.	.	H	α-helix	trans	-45.2	-43.2	175.1	-173.4	-173.3	137.6	0	0	113.6	F518 L524 V525 T526 H566	F518-E522 HydrophobicContact CD1-CB 4.34Å; F518-E522 HydrophobicContact CE1-CB 3.82Å; F518-E522 HydrophobicContact CE1-CG 3.91Å; F518-E522 HydrophobicContact CZ-CB 3.93Å; F518-E522 HydrophobicContact CZ-CG 4.11Å; F518-E522 PolarHBondContact O-N 3.23Å; E522-L524 PolarHBondContact O-N 2.87Å; E522-L524 VanDerWaalsContact O-N 3.12Å; E522-V525 WeakPolarHBondContact O-CB 3.21Å; E522-V525 PolarHBondContact O-N 3.18Å; E522-T526 PolarHBondContact O-N 3.34Å; E522-H566 WeakPolarHBondContact CG-NE2 3.46Å; E522-H566 IonicContact OE1-CE1 3.63Å; E522-H566 PolarHBondContact OE1-CE1 3.34Å; E522-H566 IonicContact OE1-ND1 2.7Å; E522-H566 IonicContact OE1-NE2 3.05Å
523	P	92.4	Very high	93.5	Very high	34 Å²	34	26.6 Å²	26.6	22%	0.221	13%	0.132	C	C	.	.	H	α-helix	trans	-56.8	-30.6	176.2	-28.7	37.5	0	0	0	114.8	H448 V452 Q519 I521 S527	H448-P523 PolarHBondContact CE1-O 3.34Å; H448-P523 PolarHBondContact NE2-O 3.28Å; V452-P523 HydrophobicContact CG2-CB 4.21Å; Q519-P523 WeakPolarHBondContact O-CD 3.47Å; I521-P523 VanDerWaalsContact C-N 3.31Å; P523-S527 PolarHBondContact O-N 3.49Å; P523-S527 PolarHBondContact O-OG 3.44Å
524	L	92.4	Very high	93.4	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.026	12%	0.115	C	C	.	.	H	α-helix	trans	-75.8	-30.9	177.4	-57.8	-178.9	0	0	0	111.8	V452 I521 E522 T526 S527 C528 V534 I536 K749 V751	V452-L524 HydrophobicContact CG1-CD2 3.75Å; I521-L524 WeakPolarHBondContact O-CB 3.37Å; I521-L524 PolarHBondContact O-N 3.41Å; E522-L524 PolarHBondContact O-N 2.87Å; E522-L524 VanDerWaalsContact O-N 3.12Å; L524-T526 VanDerWaalsContact C-N 3.33Å; L524-S527 PolarHBondContact O-N 3.26Å; L524-C528 PolarHBondContact O-N 2.85Å; L524-V534 HydrophobicContact CB-CG1 3.82Å; L524-V534 HydrophobicContact CD1-CG1 4.49Å; L524-V534 WeakPolarHBondContact O-CG2 3.33Å; L524-I536 HydrophobicContact CD1-CG1 4.34Å; L524-K749 HydrophobicContact CD2-CB 4.1Å; L524-K749 HydrophobicContact CD2-CD 4.11Å; L524-V751 HydrophobicContact CD1-CB 4.15Å; L524-V751 HydrophobicContact CD1-CG2 3.47Å; L524-V751 VanDerWaalsContact CD1-CG2 3.47Å
525	V	95.2	Very high	93.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.4	-45.1	173.2	-172.6	0	0	0	0	109.6	F518 E522 C528 I529 A563 H566 L567 M681	F518-V525 HydrophobicContact CE2-CG2 4.17Å; F518-V525 HydrophobicContact CZ-CG2 4.3Å; E522-V525 WeakPolarHBondContact O-CB 3.21Å; E522-V525 PolarHBondContact O-N 3.18Å; V525-C528 WeakPolarHBondContact O-CB 3.36Å; V525-C528 PolarHBondContact O-N 3.47Å; V525-C528 VanDerWaalsContact O-N 3.14Å; V525-I529 WeakPolarHBondContact O-CG1 3.47Å; V525-I529 PolarHBondContact O-N 3.11Å; V525-A563 WeakPolarHBondContact CG1-O 3.44Å; V525-A563 HydrophobicContact CG2-CB 3.71Å; V525-H566 HydrophobicContact CG1-CB 4.45Å; V525-L567 HydrophobicContact CG1-CB 4.18Å; V525-L567 HydrophobicContact CG1-CD1 4.02Å; V525-M681 HydrophobicContact CG1-CE 4.42Å; V525-M681 HydrophobicContact CG2-SD 4.17Å
526	T	92.7	Very high	93.3	Very high	14 Å²	14	19.7 Å²	19.7	9%	0.086	10%	0.095	C	C	.	.	H	α-helix	trans	-62.5	-41.3	173.3	-57	0	0	0	0	111.8	E522 L524 C528 I529 D530 H566 E570	E522-T526 PolarHBondContact O-N 3.34Å; L524-T526 VanDerWaalsContact C-N 3.33Å; T526-C528 VanDerWaalsContact C-N 3.29Å; T526-C528 PolarHBondContact O-N 3.13Å; T526-I529 WeakPolarHBondContact O-CB 3.37Å; T526-I529 PolarHBondContact O-N 3.24Å; T526-D530 PolarHBondContact O-N 3.4Å; T526-H566 PolarHBondContact OG1-NE2 2.65Å; T526-E570 PolarHBondContact OG1-OE2 3.07Å
527	S	92.1	Very high	93.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.6	-33.3	171.9	-70.4	0	0	0	0	113.6	P523 L524 I529 D530 G531 Y532 K749	P523-S527 PolarHBondContact O-N 3.49Å; P523-S527 PolarHBondContact O-OG 3.44Å; L524-S527 PolarHBondContact O-N 3.26Å; S527-I529 VanDerWaalsContact C-N 3.35Å; S527-D530 PolarHBondContact O-N 3.2Å; S527-G531 PolarHBondContact O-N 3.3Å; S527-Y532 WeakPolarHBondContact O-CB 3.43Å; S527-Y532 WeakPolarHBondContact O-CD2 3.4Å; S527-Y532 PolarHBondContact O-N 3.29Å; S527-K749 PolarHBondContact OG-NZ 2.91Å
528	C	93.6	Very high	93.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.5	-40.2	172.7	-173.3	0	0	0	0	111.5	L524 V525 T526 D530 G531 V534 G679 M681	L524-C528 PolarHBondContact O-N 2.85Å; V525-C528 WeakPolarHBondContact O-CB 3.36Å; V525-C528 PolarHBondContact O-N 3.47Å; V525-C528 VanDerWaalsContact O-N 3.14Å; T526-C528 VanDerWaalsContact C-N 3.29Å; T526-C528 PolarHBondContact O-N 3.13Å; C528-D530 VanDerWaalsContact C-N 3.31Å; C528-D530 PolarHBondContact O-N 3.4Å; C528-G531 PolarHBondContact O-N 2.87Å; C528-V534 HydrophobicContact CB-CG2 4.05Å; C528-G679 WeakPolarHBondContact O-CA 3.38Å; C528-M681 HydrophobicContact CB-CB 4.17Å
529	I	93.1	Very high	93.3	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-67.5	-34.4	177.9	-61.6	164.6	0	0	0	111.1	V525 T526 S527 G531 L567 E570 Y580	V525-I529 WeakPolarHBondContact O-CG1 3.47Å; V525-I529 PolarHBondContact O-N 3.11Å; T526-I529 WeakPolarHBondContact O-CB 3.37Å; T526-I529 PolarHBondContact O-N 3.24Å; S527-I529 VanDerWaalsContact C-N 3.35Å; I529-G531 PolarHBondContact O-N 3.17Å; I529-L567 HydrophobicContact CD1-CD1 3.88Å; I529-L567 HydrophobicContact CD1-CG 4.14Å; I529-L567 HydrophobicContact CG1-CD1 3.54Å; I529-L567 HydrophobicContact CG1-CG 4.15Å; I529-E570 HydrophobicContact CD1-CB 3.77Å; I529-E570 HydrophobicContact CD1-CG 3.71Å; I529-E570 HydrophobicContact CG2-CG 4.48Å; I529-Y580 HydrophobicContact CG2-CE1 3.73Å; I529-Y580 HydrophobicContact CG2-CE2 4.45Å; I529-Y580 WeakPolarHBondContact CG2-OH 3.29Å
530	D	89.1	Confident	93.3	Very high	6 Å²	6	10.8 Å²	10.8	3%	0.032	5%	0.053	C	C	.	.	H	α-helix	trans	-71.4	-12.8	174.4	-71.9	-41.3	0	0	0	113.8	T526 S527 C528 Y532 R574 R786	T526-D530 PolarHBondContact O-N 3.4Å; S527-D530 PolarHBondContact O-N 3.2Å; C528-D530 VanDerWaalsContact C-N 3.31Å; C528-D530 PolarHBondContact O-N 3.4Å; D530-Y532 HydrophobicContact CB-CD2 4.26Å; D530-Y532 HydrophobicContact CB-CE2 4.35Å; D530-R574 IonicContact OD1-CZ 3.41Å; D530-R574 IonicContact OD1-NH1 3.71Å; D530-R574 PolarHBondContact OD1-NH1 2.98Å; D530-R574 IonicContact OD1-NH2 3.26Å; D530-R786 PolarHBondContact O-NE 2.88Å; D530-R786 PolarHBondContact O-NH2 3.47Å
531	G	90.2	Very high	93.1	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.01	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.7	24.1	175.2	0	0	0	0	0	116.1	S527 C528 I529 K787	S527-G531 PolarHBondContact O-N 3.3Å; C528-G531 PolarHBondContact O-N 2.87Å; I529-G531 PolarHBondContact O-N 3.17Å; G531-K787 PolarHBondContact O-N 2.88Å; G531-K787 VanDerWaalsContact O-N 3.11Å
532	Y	88.5	Confident	92.9	Very high	25 Å²	25	11.9 Å²	11.9	10%	0.098	6%	0.061	C	C	.	.			trans	-97.9	163.9	173.5	-65.8	-91.7	0	0	0	112.5	E449 S527 D530 G679 K680 A784 R786	E449-Y532 VanDerWaalsContact CD-OH 3.28Å; E449-Y532 WeakPolarHBondContact CG-OH 3.4Å; E449-Y532 WeakPolarHBondContact OE1-CE1 3.36Å; E449-Y532 WeakPolarHBondContact OE2-CE2 3.36Å; E449-Y532 VanDerWaalsContact OE2-CZ 3.27Å; S527-Y532 WeakPolarHBondContact O-CB 3.43Å; S527-Y532 WeakPolarHBondContact O-CD2 3.4Å; S527-Y532 PolarHBondContact O-N 3.29Å; D530-Y532 HydrophobicContact CB-CD2 4.26Å; D530-Y532 HydrophobicContact CB-CE2 4.35Å; Y532-G679 VanDerWaalsContact O-CA 3.23Å; Y532-G679 WeakPolarHBondContact O-CA 3.45Å; Y532-K680 PolarHBondContact O-N 3.36Å; Y532-A784 HydrophobicContact CD1-CB 3.93Å; Y532-A784 HydrophobicContact CE1-CB 3.91Å; Y532-R786 HydrophobicContact CD1-CB 4.32Å; Y532-R786 HydrophobicContact CD2-CG 4.48Å; Y532-R786 HydrophobicContact CE1-CB 3.79Å; Y532-R786 HydrophobicContact CE1-CG 4.49Å; Y532-R786 HydrophobicContact CE2-CB 4.23Å; Y532-R786 HydrophobicContact CE2-CG 4.07Å
533	H	90.7	Very high	92.5	Very high	17 Å²	17	11.6 Å²	11.6	8%	0.079	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	134.4	171.6	-69.4	-2	0	0	0	110.8	T678 K680 S748 K749 K787	H533-T678 PolarHBondContact CE1-O 2.93Å; H533-K680 CarbonylContact C-O 3.5Å; H533-K680 WeakPolarHBondContact CA-O 3.35Å; H533-K680 PolarHBondContact ND1-N 3.44Å; H533-S748 CarbonylContact O-C 3.54Å; H533-S748 WeakPolarHBondContact O-CA 3.22Å; H533-K749 PolarHBondContact O-N 2.93Å; H533-K787 PolarHBondContact NE2-NZ 3.46Å
534	V	93.4	Very high	92.4	Very high	0 Å²	0	10 Å²	10	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	136.9	-168.8	175.9	0	0	0	0	109.7	L524 C528 I536 K680 M681 N682 K749	L524-V534 HydrophobicContact CB-CG1 3.82Å; L524-V534 HydrophobicContact CD1-CG1 4.49Å; L524-V534 WeakPolarHBondContact O-CG2 3.33Å; C528-V534 HydrophobicContact CB-CG2 4.05Å; V534-I536 HydrophobicContact CG1-CD1 3.9Å; V534-I536 HydrophobicContact CG1-CG1 4.22Å; V534-K680 PolarHBondContact N-O 3.29Å; V534-M681 HydrophobicContact CB-CB 4.27Å; V534-M681 HydrophobicContact CB-CG 4.33Å; V534-M681 HydrophobicContact CG1-CG 4.13Å; V534-M681 CarbonylContact O-C 3.57Å; V534-M681 WeakPolarHBondContact O-CA 3.46Å; V534-N682 PolarHBondContact O-N 3.43Å; V534-K749 CarbonylContact C-O 3.56Å; V534-K749 VanDerWaalsContact CA-O 3.27Å; V534-K749 WeakPolarHBondContact CA-O 3.42Å
535	C	94.7	Very high	92.3	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	127.4	172.6	-171.5	0	0	0	0	110.8	N682 K749 T750 V751	C535-N682 WeakPolarHBondContact CA-O 3.25Å; C535-K749 PolarHBondContact N-O 3.42Å; C535-T750 CarbonylContact O-C 3.57Å; C535-T750 VanDerWaalsContact O-CA 3.29Å; C535-T750 WeakPolarHBondContact O-CA 3.39Å; C535-V751 PolarHBondContact O-N 3Å
536	I	96.6	Very high	92.3	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	112.1	178.2	-62.7	145	0	0	0	106.9	I521 L524 V534 M550 I559 M681 N682 L683 V684 V751 V753	I521-I536 HydrophobicContact CD1-CG2 4.27Å; I521-I536 HydrophobicContact CG2-CD1 3.45Å; I521-I536 VanDerWaalsContact CG2-CD1 3.45Å; I521-I536 HydrophobicContact CG2-CG1 4Å; I521-I536 HydrophobicContact CG2-CG2 4.32Å; L524-I536 HydrophobicContact CD1-CG1 4.34Å; V534-I536 HydrophobicContact CG1-CD1 3.9Å; V534-I536 HydrophobicContact CG1-CG1 4.22Å; I536-M550 HydrophobicContact CG2-CE 4.32Å; I536-M550 WeakPolarHBondContact O-CE 3.44Å; I536-I559 HydrophobicContact CG2-CD1 4.29Å; I536-I559 HydrophobicContact CG2-CG2 4.3Å; I536-M681 HydrophobicContact CD1-SD 4.39Å; I536-N682 PolarHBondContact N-O 3.27Å; I536-L683 HydrophobicContact CB-CD2 3.8Å; I536-L683 HydrophobicContact CD1-CD2 3.52Å; I536-L683 HydrophobicContact CG1-CD2 4.23Å; I536-L683 WeakPolarHBondContact O-CA 3.39Å; I536-V684 PolarHBondContact O-N 3.04Å; I536-V751 WeakPolarHBondContact CA-O 3.44Å; I536-V751 HydrophobicContact CG1-CB 4.23Å; I536-V751 HydrophobicContact CG2-CG1 4.25Å; I536-V753 HydrophobicContact CG2-CG2 4.38Å
537	F	95.8	Very high	92.2	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.009	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	132.5	-175.1	68.1	-96.7	0	0	0	113.1	V684 L686 L744 T750 V751 M752 V753	F537-V684 WeakPolarHBondContact CA-O 3.26Å; F537-V684 HydrophobicContact CB-CB 3.73Å; F537-V684 HydrophobicContact CB-CG1 4.33Å; F537-V684 HydrophobicContact CB-CG2 4.39Å; F537-L686 HydrophobicContact CD2-CD1 3.72Å; F537-L686 HydrophobicContact CE2-CD1 4.32Å; F537-L744 HydrophobicContact CE1-CD2 4.3Å; F537-T750 HydrophobicContact CD1-CG2 4.25Å; F537-T750 HydrophobicContact CE1-CG2 3.66Å; F537-V751 PolarHBondContact N-O 3.03Å; F537-M752 HydrophobicContact CD2-CB 4.39Å; F537-M752 HydrophobicContact CD2-CG 4.2Å; F537-M752 HydrophobicContact CE1-CB 4.19Å; F537-M752 HydrophobicContact CE2-CB 3.77Å; F537-M752 HydrophobicContact CE2-CG 3.54Å; F537-M752 HydrophobicContact CE2-SD 4.22Å; F537-M752 HydrophobicContact CZ-CB 3.65Å; F537-M752 HydrophobicContact CZ-CG 3.91Å; F537-M752 HydrophobicContact CZ-SD 4.45Å; F537-V753 PolarHBondContact O-N 3.42Å
538	A	96.8	Very high	92.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	133.1	173	0	0	0	0	0	111.1	K546 M550 V684 L686 V753	A538-K546 HydrophobicContact CB-CB 3.93Å; A538-K546 HydrophobicContact CB-CG 4.23Å; A538-M550 HydrophobicContact CB-CG 3.6Å; A538-M550 HydrophobicContact CB-SD 3.86Å; A538-V684 PolarHBondContact N-O 3.27Å; A538-L686 VanDerWaalsContact O-CB 3.31Å; A538-L686 WeakPolarHBondContact O-CB 3.41Å; A538-L686 WeakPolarHBondContact O-CG 3.47Å; A538-L686 PolarHBondContact O-N 3.18Å; A538-V753 WeakPolarHBondContact CA-O 3.35Å
539	Y	95.8	Very high	92.4	Very high	25 Å²	25	17.3 Å²	17.3	10%	0.098	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	146.8	-178.9	179.7	-79.5	0	0	0	111.5	L686 S689 L712 M752 V753 V754 Q755 F772	Y539-L686 HydrophobicContact CD2-CD1 3.9Å; Y539-S689 VanDerWaalsContact CZ-CB 3.49Å; Y539-S689 WeakPolarHBondContact OH-CB 3.12Å; Y539-L712 HydrophobicContact CD2-CD2 4.47Å; Y539-L712 HydrophobicContact CE2-CD2 4.21Å; Y539-M752 HydrophobicContact CD1-CE 3.58Å; Y539-M752 HydrophobicContact CD2-CE 4.34Å; Y539-M752 HydrophobicContact CE1-CE 4.41Å; Y539-M752 HydrophobicContact CG-CE 3.57Å; Y539-V753 PolarHBondContact N-O 3.09Å; Y539-V754 HydrophobicContact CD1-CG2 4.36Å; Y539-V754 WeakPolarHBondContact O-CA 3.3Å; Y539-Q755 PolarHBondContact O-N 3.11Å; Y539-F772 AromaticContact CD1-CD1 3.93Å; Y539-F772 HydrophobicContact CD1-CD1 3.93Å; Y539-F772 HydrophobicContact CD1-CE1 4.46Å; Y539-F772 AromaticContact CD2-CD1 3.9Å; Y539-F772 HydrophobicContact CD2-CD1 3.9Å; Y539-F772 AromaticContact CD2-CE1 3.67Å; Y539-F772 HydrophobicContact CD2-CE1 3.67Å; Y539-F772 HydrophobicContact CE1-CB 4.49Å; Y539-F772 AromaticContact CE1-CD1 3.63Å; Y539-F772 HydrophobicContact CE1-CD1 3.63Å; Y539-F772 HydrophobicContact CE1-CE1 4.38Å; Y539-F772 HydrophobicContact CE1-CG 4.48Å; Y539-F772 AromaticContact CE2-CD1 3.54Å; Y539-F772 HydrophobicContact CE2-CD1 3.54Å; Y539-F772 AromaticContact CE2-CE1 3.52Å; Y539-F772 HydrophobicContact CE2-CE1 3.52Å; Y539-F772 HydrophobicContact CG-CD1 4.09Å; Y539-F772 HydrophobicContact CG-CE1 4.15Å; Y539-F772 AromaticContact CZ-CD1 3.41Å; Y539-F772 VanDerWaalsContact CZ-CD1 3.41Å; Y539-F772 AromaticContact CZ-CE1 3.92Å
540	G	94.1	Very high	92.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	146	-179.1	174.7	0	0	0	0	0	112.1	K546 S689	G540-K546 PolarHBondContact O-NZ 2.89Å; G540-S689 PolarHBondContact O-N 2.81Å; G540-S689 VanDerWaalsContact O-N 3.14Å; G540-S689 PolarHBondContact O-OG 3.22Å
541	Q	90.1	Very high	92.6	Very high	16 Å²	16	18.6 Å²	18.6	8%	0.075	11%	0.108	C	C	.	.			trans	-64.1	166.7	178.2	64.6	165.8	91.2	0	0	113.3	S544 K546 S689 E690 N762 E765	Q541-S544 PolarHBondContact O-N 3.12Å; Q541-S544 PolarHBondContact O-OG 3.18Å; Q541-K546 VanDerWaalsContact C-NZ 3.32Å; Q541-K546 PolarHBondContact O-NZ 3.3Å; Q541-S689 PolarHBondContact N-OG 3.08Å; Q541-E690 WeakPolarHBondContact CA-OE2 3.4Å; Q541-E690 HydrophobicContact CB-CB 4.46Å; Q541-N762 PolarHBondContact NE2-OD1 2.89Å; Q541-N762 VanDerWaalsContact OE1-CB 3.31Å; Q541-N762 PolarHBondContact OE1-OD1 3.37Å; Q541-E765 HydrophobicContact CB-CB 4.28Å
542	T	88.8	Confident	92.6	Very high	36 Å²	36	19 Å²	19	22%	0.221	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	143	163.8	-64.3	0	0	0	0	110.8	S544 S656 E690	T542-S544 VanDerWaalsContact C-N 3.29Å; T542-S544 PolarHBondContact O-N 3.06Å; T542-S656 VanDerWaalsContact OG1-CB 3.25Å; T542-S656 WeakPolarHBondContact OG1-CB 3.35Å; T542-E690 WeakPolarHBondContact CB-OE1 3.37Å; T542-E690 PolarHBondContact N-OE2 2.97Å; T542-E690 PolarHBondContact OG1-OE1 2.94Å; T542-E690 PolarHBondContact OG1-OE2 3.29Å
543	G	85.8	Confident	92.6	Very high	60 Å²	60	20 Å²	20	62%	0.619	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.1	-8.3	-175.3	0	0	0	0	0	116.2	G545	G543-G545 PolarHBondContact O-N 3.26Å
544	S	90.3	Very high	92.2	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-78.9	-11.4	-173.9	70	0	0	0	0	116.5	Q541 T542 Q755	Q541-S544 PolarHBondContact O-N 3.12Å; Q541-S544 PolarHBondContact O-OG 3.18Å; T542-S544 VanDerWaalsContact C-N 3.29Å; T542-S544 PolarHBondContact O-N 3.06Å; S544-Q755 VanDerWaalsContact CB-O 3.23Å; S544-Q755 WeakPolarHBondContact CB-O 3.44Å; S544-Q755 VanDerWaalsContact OG-CB 3.26Å; S544-Q755 WeakPolarHBondContact OG-CB 3.04Å; S544-Q755 PolarHBondContact OG-O 3.5Å
545	G	91.6	Very high	91.9	Very high	20 Å²	20	34.9 Å²	34.9	21%	0.206	20%	0.202	C	C	.	.	S	Bend	trans	114	9.4	177.1	0	0	0	0	0	116.9	G543 Y548 T549 Q755	G543-G545 PolarHBondContact O-N 3.26Å; G545-Y548 PolarHBondContact O-N 3.46Å; G545-T549 PolarHBondContact O-N 3.11Å; G545-T549 PolarHBondContact O-OG1 3.21Å; G545-T549 VanDerWaalsContact O-OG1 3.06Å; G545-Q755 PolarHBondContact O-OE1 3.09Å
546	K	94.1	Very high	91.8	Very high	10 Å²	10	37.3 Å²	37.3	4%	0.043	22%	0.215	C	C	.	.	H	α-helix	trans	-50.3	-65.7	177.9	-59.1	-168.1	-64.7	-78.5	0	113.5	A538 G540 Q541 Y548 T549 M550 D685 L686 A687 Q755	A538-K546 HydrophobicContact CB-CB 3.93Å; A538-K546 HydrophobicContact CB-CG 4.23Å; G540-K546 PolarHBondContact O-NZ 2.89Å; Q541-K546 VanDerWaalsContact C-NZ 3.32Å; Q541-K546 PolarHBondContact O-NZ 3.3Å; K546-Y548 VanDerWaalsContact C-N 3.26Å; K546-Y548 PolarHBondContact O-N 3.17Å; K546-T549 PolarHBondContact O-N 3.49Å; K546-M550 PolarHBondContact O-N 2.96Å; K546-D685 VanDerWaalsContact C-OD1 3.24Å; K546-D685 VanDerWaalsContact CB-OD1 3.28Å; K546-D685 WeakPolarHBondContact CB-OD1 3.47Å; K546-L686 WeakPolarHBondContact CE-O 3.45Å; K546-A687 VanDerWaalsContact CE-O 3.27Å; K546-A687 WeakPolarHBondContact CE-O 3.47Å; K546-A687 PolarHBondContact NZ-O 2.71Å; K546-Q755 HydrophobicContact CG-CB 4.21Å; K546-Q755 HydrophobicContact CG-CG 4.06Å
547	T	91.8	Very high	91.6	Very high	40 Å²	40	38.7 Å²	38.7	25%	0.245	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-28.4	-178.1	-40.1	0	0	0	0	112.5	E551 G552 D685	T547-E551 HydrophobicContact CG2-CB 4.31Å; T547-E551 HydrophobicContact CG2-CG 3.97Å; T547-E551 WeakPolarHBondContact O-CA 3.31Å; T547-E551 WeakPolarHBondContact O-CB 3.46Å; T547-E551 PolarHBondContact O-N 3.22Å; T547-G552 PolarHBondContact O-N 2.57Å; T547-D685 WeakPolarHBondContact CA-OD1 3.48Å; T547-D685 WeakPolarHBondContact CB-OD2 3.32Å; T547-D685 WeakPolarHBondContact CG2-OD2 3.43Å; T547-D685 PolarHBondContact N-OD1 2.81Å; T547-D685 PolarHBondContact OG1-OD1 2.86Å; T547-D685 PolarHBondContact OG1-OD2 3.17Å
548	Y	92.9	Very high	91.6	Very high	104 Å²	104	38.6 Å²	38.6	41%	0.408	22%	0.224	S	C	.	.	H	α-helix	trans	-65.4	-41.3	170.8	175.3	-103.3	0	0	0	111.7	Q514 G545 K546 G552 N556	Q514-Y548 HydrophobicContact CG-CE1 4.49Å; Q514-Y548 PolarHBondContact NE2-O 2.9Å; G545-Y548 PolarHBondContact O-N 3.46Å; K546-Y548 VanDerWaalsContact C-N 3.26Å; K546-Y548 PolarHBondContact O-N 3.17Å; Y548-G552 WeakPolarHBondContact O-CA 3.38Å; Y548-G552 PolarHBondContact O-N 3.11Å; Y548-G552 VanDerWaalsContact O-N 3.09Å; Y548-N556 PolarHBondContact OH-ND2 3.18Å
549	T	95.9	Very high	91.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-72.8	-37.7	178.5	-59.1	0	0	0	0	112	R463 V517 G545 K546 G558 I559 V753 Q755	R463-T549 PolarHBondContact NH1-OG1 3.4Å; V517-T549 HydrophobicContact CG1-CG2 4.02Å; G545-T549 PolarHBondContact O-N 3.11Å; G545-T549 PolarHBondContact O-OG1 3.21Å; G545-T549 VanDerWaalsContact O-OG1 3.06Å; K546-T549 PolarHBondContact O-N 3.49Å; T549-G558 WeakPolarHBondContact O-CA 3.48Å; T549-I559 HydrophobicContact CG2-CD1 3.67Å; T549-I559 HydrophobicContact CG2-CG1 4.43Å; T549-I559 WeakPolarHBondContact O-CG1 3.34Å; T549-I559 PolarHBondContact O-N 3.4Å; T549-V753 HydrophobicContact CG2-CG1 4.28Å; T549-Q755 PolarHBondContact OG1-NE2 3.48Å; T549-Q755 PolarHBondContact OG1-OE1 3.09Å; T549-Q755 VanDerWaalsContact OG1-OE1 3.09Å
550	M	95.3	Very high	91.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-79.5	-57	179.3	-59.2	-52.7	-69.1	0	0	113.2	I536 A538 K546 G558 I559 N560 L683 D685	I536-M550 HydrophobicContact CG2-CE 4.32Å; I536-M550 WeakPolarHBondContact O-CE 3.44Å; A538-M550 HydrophobicContact CB-CG 3.6Å; A538-M550 HydrophobicContact CB-SD 3.86Å; K546-M550 PolarHBondContact O-N 2.96Å; M550-G558 CarbonylContact O-C 3.58Å; M550-I559 PolarHBondContact O-N 2.96Å; M550-I559 VanDerWaalsContact O-N 3.15Å; M550-I559 HydrophobicContact SD-CD1 3.81Å; M550-N560 VanDerWaalsContact O-CB 3.25Å; M550-N560 WeakPolarHBondContact O-CB 3.27Å; M550-N560 PolarHBondContact O-N 3.24Å; M550-N560 PolarHBondContact O-OD1 2.77Å; M550-L683 HydrophobicContact CE-CB 3.96Å; M550-D685 HydrophobicContact CB-CB 4.28Å; M550-D685 HydrophobicContact CG-CB 4.18Å
551	E	91.7	Very high	91.4	Very high	34 Å²	34	40.1 Å²	40.1	16%	0.159	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-45.9	-177.8	-61.6	-175.6	-155.5	0	0	112.9	T547 G558 Q561 R641 R644	T547-E551 HydrophobicContact CG2-CB 4.31Å; T547-E551 HydrophobicContact CG2-CG 3.97Å; T547-E551 WeakPolarHBondContact O-CA 3.31Å; T547-E551 WeakPolarHBondContact O-CB 3.46Å; T547-E551 PolarHBondContact O-N 3.22Å; E551-G558 PolarHBondContact O-N 2.83Å; E551-Q561 PolarHBondContact O-NE2 2.79Å; E551-R641 VanDerWaalsContact OE2-CD 3.32Å; E551-R641 WeakPolarHBondContact OE2-CD 3.49Å; E551-R641 IonicContact OE2-CZ 3.71Å; E551-R641 IonicContact OE2-NE 3.79Å; E551-R641 IonicContact OE2-NH1 2.66Å; E551-R641 PolarHBondContact OE2-NH1 2.64Å; E551-R641 VanDerWaalsContact OE2-NH1 3.15Å; E551-R644 IonicContact OE1-NH1 3.68Å; E551-R644 PolarHBondContact OE1-NH1 3.01Å; E551-R644 VanDerWaalsContact OE1-NH1 3.14Å
552	G	91	Very high	91.6	Very high	9 Å²	9	40.9 Å²	40.9	9%	0.093	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	76.3	-172.7	-173.6	0	0	0	0	0	115.2	T547 Y548	T547-G552 PolarHBondContact O-N 2.57Å; Y548-G552 WeakPolarHBondContact O-CA 3.38Å; Y548-G552 PolarHBondContact O-N 3.11Å; Y548-G552 VanDerWaalsContact O-N 3.09Å
553	S	87.4	Confident	91.9	Very high	46 Å²	46	39.2 Å²	39.2	32%	0.322	22%	0.224	S	C	.	.			trans	-89.8	175.5	169.6	74.3	0	0	0	0	110.8	E555 N556	S553-E555 VanDerWaalsContact C-N 3.28Å; S553-E555 PolarHBondContact OG-N 3.15Å; S553-N556 PolarHBondContact N-O 2.97Å; S553-N556 VanDerWaalsContact N-O 3.11Å; S553-N556 CarbonylContact O-C 3.6Å; S553-N556 PolarHBondContact OG-N 3.42Å
554	V	82.9	Confident	92.3	Very high	144 Å²	144	36.4 Å²	36.4	87%	0.873	20%	0.195	S	C	*	.	S	Bend	trans	-66.1	-35.5	174.9	-178.7	0	0	0	0	111
555	E	87.4	Confident	92.4	Very high	186 Å²	186	42.4 Å²	42.4	87%	0.869	22%	0.221	S	C	*	.	S	Bend	trans	-81.8	-39.9	-179.8	-64.2	163.3	-176.6	0	0	112.2	S553 P557	S553-E555 VanDerWaalsContact C-N 3.28Å; S553-E555 PolarHBondContact OG-N 3.15Å; E555-P557 WeakPolarHBondContact O-CD 3.47Å
556	N	91.1	Very high	92.5	Very high	51 Å²	51	43 Å²	43	27%	0.273	22%	0.219	S	C	.	.	S	Bend	trans	-122.7	78.7	-176.8	-155.8	4.1	0	0	0	110.8	Q514 Y548 S553	Q514-N556 WeakPolarHBondContact CB-OD1 3.41Å; Q514-N556 HydrophobicContact CG-CB 4.27Å; Q514-N556 WeakPolarHBondContact CG-OD1 3.4Å; Q514-N556 PolarHBondContact NE2-O 2.96Å; Y548-N556 PolarHBondContact OH-ND2 3.18Å; S553-N556 PolarHBondContact N-O 2.97Å; S553-N556 VanDerWaalsContact N-O 3.11Å; S553-N556 CarbonylContact O-C 3.6Å; S553-N556 PolarHBondContact OG-N 3.42Å
557	P	93.1	Very high	92.6	Very high	30 Å²	30	42.6 Å²	42.6	20%	0.195	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-60.4	145	-175.9	22.2	-33.3	0	0	0	112.7	Q514 E555 Q561 R562	Q514-P557 WeakPolarHBondContact CB-O 3.32Å; E555-P557 WeakPolarHBondContact O-CD 3.47Å; P557-Q561 HydrophobicContact CB-CB 3.72Å; P557-Q561 HydrophobicContact CB-CG 4.35Å; P557-R562 PolarHBondContact O-NE 2.84Å
558	G	95	Very high	92.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.212	C	C	.	.			trans	-87.7	-173	175.2	0	0	0	0	0	113.5	T549 M550 E551 N560 Q561 R562	T549-G558 WeakPolarHBondContact O-CA 3.48Å; M550-G558 CarbonylContact O-C 3.58Å; E551-G558 PolarHBondContact O-N 2.83Å; G558-N560 VanDerWaalsContact C-N 3.26Å; G558-N560 PolarHBondContact O-N 2.97Å; G558-Q561 PolarHBondContact O-N 2.75Å; G558-R562 WeakPolarHBondContact O-CG 3.39Å; G558-R562 PolarHBondContact O-N 3.14Å; G558-R562 VanDerWaalsContact O-N 3.1Å
559	I	96.6	Very high	92.6	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.015	21%	0.214	C	C	.	.	H	α-helix	trans	-50	-43.2	-176.6	-65.3	161.7	0	0	0	112	I521 I536 T549 M550 Q561 R562 A563 L683 V753	I521-I559 HydrophobicContact CD1-CD1 3.46Å; I521-I559 VanDerWaalsContact CD1-CD1 3.46Å; I521-I559 HydrophobicContact CD1-CG1 3.97Å; I521-I559 HydrophobicContact CG2-CG2 4.27Å; I536-I559 HydrophobicContact CG2-CD1 4.29Å; I536-I559 HydrophobicContact CG2-CG2 4.3Å; T549-I559 HydrophobicContact CG2-CD1 3.67Å; T549-I559 HydrophobicContact CG2-CG1 4.43Å; T549-I559 WeakPolarHBondContact O-CG1 3.34Å; T549-I559 PolarHBondContact O-N 3.4Å; M550-I559 PolarHBondContact O-N 2.96Å; M550-I559 VanDerWaalsContact O-N 3.15Å; M550-I559 HydrophobicContact SD-CD1 3.81Å; I559-Q561 VanDerWaalsContact C-N 3.33Å; I559-Q561 PolarHBondContact O-N 3.48Å; I559-R562 PolarHBondContact O-N 2.97Å; I559-A563 WeakPolarHBondContact O-CB 3.43Å; I559-A563 PolarHBondContact O-N 2.92Å; I559-L683 HydrophobicContact CG2-CD2 4.41Å; I559-V753 HydrophobicContact CD1-CG2 4.41Å
560	N	93.8	Very high	92.4	Very high	15 Å²	15	41.2 Å²	41.2	8%	0.08	22%	0.218	C	C	.	.	H	α-helix	trans	-57.9	-43.8	-176.3	-66.3	-2.7	0	0	0	112.6	M550 G558 L564 L662 L683	M550-N560 VanDerWaalsContact O-CB 3.25Å; M550-N560 WeakPolarHBondContact O-CB 3.27Å; M550-N560 PolarHBondContact O-N 3.24Å; M550-N560 PolarHBondContact O-OD1 2.77Å; G558-N560 VanDerWaalsContact C-N 3.26Å; G558-N560 PolarHBondContact O-N 2.97Å; N560-L564 WeakPolarHBondContact O-CB 3.38Å; N560-L564 WeakPolarHBondContact O-CD1 3.39Å; N560-L564 WeakPolarHBondContact O-CG 3.4Å; N560-L564 PolarHBondContact O-N 3.08Å; N560-L662 HydrophobicContact CB-CD2 4.22Å; N560-L683 HydrophobicContact CB-CD1 4.42Å; N560-L683 WeakPolarHBondContact OD1-CB 3.47Å
561	Q	92.8	Very high	92.2	Very high	39 Å²	39	42.4 Å²	42.4	18%	0.182	22%	0.224	C	C	.	.	H	α-helix	trans	-79.8	-33.5	178.7	-73.8	-174.2	81.6	0	0	112.1	E551 P557 G558 I559 K565 F630 L637	E551-Q561 PolarHBondContact O-NE2 2.79Å; P557-Q561 HydrophobicContact CB-CB 3.72Å; P557-Q561 HydrophobicContact CB-CG 4.35Å; G558-Q561 PolarHBondContact O-N 2.75Å; I559-Q561 VanDerWaalsContact C-N 3.33Å; I559-Q561 PolarHBondContact O-N 3.48Å; Q561-K565 WeakPolarHBondContact O-CB 3.4Å; Q561-K565 PolarHBondContact O-N 3.26Å; Q561-F630 WeakPolarHBondContact O-CE2 3.36Å; Q561-L637 HydrophobicContact CG-CD1 3.72Å
562	R	95.1	Very high	92.2	Very high	32 Å²	32	46 Å²	46	12%	0.121	24%	0.241	C	C	.	.	H	α-helix	trans	-72.2	-47.8	-179.5	-68.6	178.1	176.4	-82.2	5.2	112.1	Q514 E515 F518 P557 G558 I559 L564 K565 H566	Q514-R562 WeakPolarHBondContact O-CD 3.44Å; Q514-R562 PolarHBondContact O-NE 3.32Å; E515-R562 IonicContact OE1-CZ 3.7Å; E515-R562 IonicContact OE1-NH1 2.81Å; E515-R562 PolarHBondContact OE1-NH1 3Å; E515-R562 IonicContact OE2-CZ 2.73Å; E515-R562 IonicContact OE2-NH1 2.75Å; E515-R562 PolarHBondContact OE2-NH1 3.38Å; E515-R562 IonicContact OE2-NH2 3.45Å; F518-R562 HydrophobicContact CB-CB 4.31Å; F518-R562 HydrophobicContact CD1-CB 3.87Å; F518-R562 HydrophobicContact CD2-CB 3.53Å; F518-R562 HydrophobicContact CE1-CB 4.09Å; F518-R562 HydrophobicContact CE2-CB 3.79Å; F518-R562 HydrophobicContact CG-CB 3.59Å; F518-R562 HydrophobicContact CG-CG 4.34Å; F518-R562 HydrophobicContact CZ-CB 4.06Å; P557-R562 PolarHBondContact O-NE 2.84Å; G558-R562 WeakPolarHBondContact O-CG 3.39Å; G558-R562 PolarHBondContact O-N 3.14Å; G558-R562 VanDerWaalsContact O-N 3.1Å; I559-R562 PolarHBondContact O-N 2.97Å; R562-L564 VanDerWaalsContact C-N 3.3Å; R562-L564 PolarHBondContact O-N 3.07Å; R562-K565 WeakPolarHBondContact O-CB 3.15Å; R562-K565 PolarHBondContact O-N 3.43Å; R562-K565 VanDerWaalsContact O-N 3.15Å; R562-H566 PolarHBondContact O-N 3.32Å
563	A	95.3	Very high	92.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-57.2	-44.2	174.7	0	0	0	0	0	111.5	F518 V525 I559 H566 L567 M681 L683	F518-A563 HydrophobicContact CE2-CB 3.95Å; F518-A563 VanDerWaalsContact CE2-N 3.29Å; V525-A563 WeakPolarHBondContact CG1-O 3.44Å; V525-A563 HydrophobicContact CG2-CB 3.71Å; I559-A563 WeakPolarHBondContact O-CB 3.43Å; I559-A563 PolarHBondContact O-N 2.92Å; A563-H566 PolarHBondContact O-N 3.2Å; A563-L567 VanDerWaalsContact O-CB 3.31Å; A563-L567 WeakPolarHBondContact O-CB 3.37Å; A563-L567 PolarHBondContact O-N 3.4Å; A563-M681 HydrophobicContact CB-CE 4.09Å; A563-M681 HydrophobicContact CB-SD 4.38Å; A563-L683 HydrophobicContact CB-CD1 4.18Å
564	L	92.6	Very high	92.1	Very high	1 Å²	1	51 Å²	51	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-74.2	-25.7	178.6	-74.4	174.1	0	0	0	114	N560 R562 L567 F568 I633 L662 I664	N560-L564 WeakPolarHBondContact O-CB 3.38Å; N560-L564 WeakPolarHBondContact O-CD1 3.39Å; N560-L564 WeakPolarHBondContact O-CG 3.4Å; N560-L564 PolarHBondContact O-N 3.08Å; R562-L564 VanDerWaalsContact C-N 3.3Å; R562-L564 PolarHBondContact O-N 3.07Å; L564-L567 HydrophobicContact CD2-CD2 4.37Å; L564-F568 WeakPolarHBondContact O-CD2 3.42Å; L564-I633 HydrophobicContact CB-CD1 3.84Å; L564-I633 HydrophobicContact CB-CG2 4.08Å; L564-I633 HydrophobicContact CD1-CD1 4.15Å; L564-I633 HydrophobicContact CD1-CG2 3.55Å; L564-I633 HydrophobicContact CD2-CD1 3.85Å; L564-I633 HydrophobicContact CG-CD1 4.15Å; L564-I633 HydrophobicContact CG-CG2 4.38Å; L564-L662 HydrophobicContact CD1-CD2 3.97Å; L564-I664 HydrophobicContact CD1-CG1 4.45Å; L564-I664 HydrophobicContact CD2-CG1 3.7Å; L564-I664 HydrophobicContact CD2-CG2 4.18Å; L564-I664 HydrophobicContact CG-CG1 4.42Å
565	K	92.8	Very high	92.4	Very high	126 Å²	126	49 Å²	49	55%	0.548	24%	0.235	S	C	.	.	H	α-helix	trans	-67.6	-50.5	167.9	-176.2	-165.3	171	-160.1	0	110.2	Q561 R562 L567 F568 S569 F630	Q561-K565 WeakPolarHBondContact O-CB 3.4Å; Q561-K565 PolarHBondContact O-N 3.26Å; R562-K565 WeakPolarHBondContact O-CB 3.15Å; R562-K565 PolarHBondContact O-N 3.43Å; R562-K565 VanDerWaalsContact O-N 3.15Å; K565-L567 VanDerWaalsContact C-N 3.34Å; K565-L567 PolarHBondContact O-N 2.81Å; K565-F568 PolarHBondContact O-N 2.76Å; K565-S569 PolarHBondContact O-N 3.43Å; K565-S569 PolarHBondContact O-OG 3.34Å; K565-F630 HydrophobicContact CB-CD2 4.26Å; K565-F630 HydrophobicContact CB-CE2 3.74Å; K565-F630 HydrophobicContact CB-CZ 3.89Å; K565-F630 HydrophobicContact CG-CE1 4.5Å; K565-F630 HydrophobicContact CG-CZ 4.31Å
566	H	94.5	Very high	92.4	Very high	34 Å²	34	46.8 Å²	46.8	16%	0.157	23%	0.229	C	C	.	.	H	α-helix	trans	-58.8	-44.7	179.8	-170.1	70.8	0	0	0	112.2	F518 E522 V525 T526 R562 A563 F568 S569 E570	F518-H566 HydrophobicContact CE1-CB 4.27Å; F518-H566 HydrophobicContact CZ-CB 3.89Å; E522-H566 WeakPolarHBondContact CG-NE2 3.46Å; E522-H566 IonicContact OE1-CE1 3.63Å; E522-H566 PolarHBondContact OE1-CE1 3.34Å; E522-H566 IonicContact OE1-ND1 2.7Å; E522-H566 IonicContact OE1-NE2 3.05Å; V525-H566 HydrophobicContact CG1-CB 4.45Å; T526-H566 PolarHBondContact OG1-NE2 2.65Å; R562-H566 PolarHBondContact O-N 3.32Å; A563-H566 PolarHBondContact O-N 3.2Å; H566-F568 VanDerWaalsContact C-N 3.29Å; H566-F568 PolarHBondContact O-N 3.48Å; H566-S569 WeakPolarHBondContact O-CB 3.36Å; H566-S569 PolarHBondContact O-N 3.46Å; H566-S569 VanDerWaalsContact O-N 3.08Å; H566-E570 IonicContact NE2-OE2 2.65Å; H566-E570 PolarHBondContact O-N 2.99Å
567	L	94.9	Very high	92.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-53.5	-45.4	178.6	-167	104.2	0	0	0	112.5	V525 I529 A563 L564 K565 I571 V582 I664 V666	V525-L567 HydrophobicContact CG1-CB 4.18Å; V525-L567 HydrophobicContact CG1-CD1 4.02Å; I529-L567 HydrophobicContact CD1-CD1 3.88Å; I529-L567 HydrophobicContact CD1-CG 4.14Å; I529-L567 HydrophobicContact CG1-CD1 3.54Å; I529-L567 HydrophobicContact CG1-CG 4.15Å; A563-L567 VanDerWaalsContact O-CB 3.31Å; A563-L567 WeakPolarHBondContact O-CB 3.37Å; A563-L567 PolarHBondContact O-N 3.4Å; L564-L567 HydrophobicContact CD2-CD2 4.37Å; K565-L567 VanDerWaalsContact C-N 3.34Å; K565-L567 PolarHBondContact O-N 2.81Å; L567-I571 HydrophobicContact CD2-CD1 3.89Å; L567-I571 HydrophobicContact CG-CD1 3.95Å; L567-I571 WeakPolarHBondContact O-CB 3.46Å; L567-I571 WeakPolarHBondContact O-CD1 3.4Å; L567-I571 WeakPolarHBondContact O-CG1 3.48Å; L567-I571 PolarHBondContact O-N 2.93Å; L567-V582 HydrophobicContact CD2-CG1 3.86Å; L567-V582 HydrophobicContact CD2-CG2 3.91Å; L567-I664 HydrophobicContact CD2-CG2 4.47Å; L567-V666 HydrophobicContact CD1-CG2 3.91Å; L567-V666 HydrophobicContact CD2-CG2 4.3Å
568	F	92.8	Very high	92.2	Very high	34 Å²	34	45.5 Å²	45.5	15%	0.149	22%	0.218	C	C	.	.	H	α-helix	trans	-76.3	-27.7	179.9	-83.4	-97.5	0	0	0	113.2	L564 K565 H566 E572 V582 V627 I633	L564-F568 WeakPolarHBondContact O-CD2 3.42Å; K565-F568 PolarHBondContact O-N 2.76Å; H566-F568 VanDerWaalsContact C-N 3.29Å; H566-F568 PolarHBondContact O-N 3.48Å; F568-E572 WeakPolarHBondContact O-CB 3.45Å; F568-E572 PolarHBondContact O-N 3.19Å; F568-E572 VanDerWaalsContact O-N 3.11Å; F568-V582 HydrophobicContact CE2-CB 4.44Å; F568-V582 HydrophobicContact CE2-CG1 4.14Å; F568-V582 HydrophobicContact CE2-CG2 4.38Å; F568-V582 HydrophobicContact CZ-CB 4.05Å; F568-V582 HydrophobicContact CZ-CG1 4.19Å; F568-V582 HydrophobicContact CZ-CG2 4.11Å; F568-V627 HydrophobicContact CZ-CB 4.47Å; F568-V627 HydrophobicContact CZ-CG1 4.29Å; F568-V627 WeakPolarHBondContact CZ-O 3.43Å; F568-I633 HydrophobicContact CD2-CD1 3.92Å; F568-I633 HydrophobicContact CE2-CD1 3.49Å; F568-I633 VanDerWaalsContact CE2-CD1 3.49Å; F568-I633 HydrophobicContact CZ-CD1 4.26Å
569	S	92.9	Very high	92.1	Very high	65 Å²	65	48.6 Å²	48.6	46%	0.455	24%	0.239	S	C	.	.	H	α-helix	trans	-63.7	-51.3	170.5	-58.7	0	0	0	0	111.6	K565 H566 I571 E572 E573	K565-S569 PolarHBondContact O-N 3.43Å; K565-S569 PolarHBondContact O-OG 3.34Å; H566-S569 WeakPolarHBondContact O-CB 3.36Å; H566-S569 PolarHBondContact O-N 3.46Å; H566-S569 VanDerWaalsContact O-N 3.08Å; S569-I571 PolarHBondContact O-N 3.15Å; S569-E572 PolarHBondContact O-N 2.92Å; S569-E573 PolarHBondContact O-N 2.95Å
570	E	91.4	Very high	92	Very high	17 Å²	17	49.9 Å²	49.9	8%	0.079	24%	0.244	C	C	.	.	H	α-helix	trans	-68.3	-34.5	-178	-180	106.5	-139	0	0	111.6	T526 I529 H566 E573 R574	T526-E570 PolarHBondContact OG1-OE2 3.07Å; I529-E570 HydrophobicContact CD1-CB 3.77Å; I529-E570 HydrophobicContact CD1-CG 3.71Å; I529-E570 HydrophobicContact CG2-CG 4.48Å; H566-E570 IonicContact NE2-OE2 2.65Å; H566-E570 PolarHBondContact O-N 2.99Å; E570-E573 PolarHBondContact O-N 3.45Å; E570-R574 WeakPolarHBondContact O-CB 3.47Å; E570-R574 VanDerWaalsContact O-CG 3.25Å; E570-R574 WeakPolarHBondContact O-CG 3.43Å; E570-R574 PolarHBondContact O-N 2.8Å; E570-R574 IonicContact OE1-CZ 3.68Å; E570-R574 IonicContact OE1-NE 2.66Å; E570-R574 PolarHBondContact OE1-NE 2.7Å; E570-R574 IonicContact OE1-NH2 2.78Å; E570-R574 PolarHBondContact OE1-NH2 3.4Å
571	I	91.3	Very high	92.1	Very high	24 Å²	24	52.1 Å²	52.1	12%	0.123	26%	0.259	C	S	.	.	H	α-helix	trans	-63.4	-42.8	171.9	-75.8	170.4	0	0	0	111.6	L567 S569 R574 K575 Y580 V582	L567-I571 HydrophobicContact CD2-CD1 3.89Å; L567-I571 HydrophobicContact CG-CD1 3.95Å; L567-I571 WeakPolarHBondContact O-CB 3.46Å; L567-I571 WeakPolarHBondContact O-CD1 3.4Å; L567-I571 WeakPolarHBondContact O-CG1 3.48Å; L567-I571 PolarHBondContact O-N 2.93Å; S569-I571 PolarHBondContact O-N 3.15Å; I571-R574 PolarHBondContact O-N 3.37Å; I571-K575 PolarHBondContact O-N 2.91Å; I571-K575 VanDerWaalsContact O-N 3.17Å; I571-Y580 HydrophobicContact CB-CD2 4.2Å; I571-Y580 HydrophobicContact CD1-CG 4.25Å; I571-Y580 HydrophobicContact CG1-CD1 4.4Å; I571-Y580 HydrophobicContact CG1-CD2 3.82Å; I571-Y580 HydrophobicContact CG1-CE2 4.25Å; I571-Y580 HydrophobicContact CG1-CG 3.88Å; I571-Y580 HydrophobicContact CG2-CD2 3.9Å; I571-Y580 HydrophobicContact CG2-CG 4.26Å; I571-V582 HydrophobicContact CD1-CG2 3.52Å
572	E	90.8	Very high	92.3	Very high	111 Å²	111	50.6 Å²	50.6	52%	0.519	25%	0.252	S	S	.	.	H	α-helix	trans	-68.3	-34.1	177.8	-178.1	65.1	-154.9	0	0	112.1	F568 S569 K575	F568-E572 WeakPolarHBondContact O-CB 3.45Å; F568-E572 PolarHBondContact O-N 3.19Å; F568-E572 VanDerWaalsContact O-N 3.11Å; S569-E572 PolarHBondContact O-N 2.92Å; E572-K575 VanDerWaalsContact O-CD 3.29Å; E572-K575 WeakPolarHBondContact O-CD 3.47Å; E572-K575 VanDerWaalsContact O-CG 3.32Å; E572-K575 WeakPolarHBondContact O-CG 3.39Å; E572-K575 IonicContact OE1-NZ 3.9Å; E572-K575 PolarHBondContact OE1-NZ 2.82Å
573	E	89.2	Confident	92.3	Very high	126 Å²	126	50.4 Å²	50.4	59%	0.589	25%	0.254	S	S	*	.	H	α-helix	trans	-68.4	-34.4	173.8	-170.6	176.9	155.5	0	0	112.3	S569 E570	S569-E573 PolarHBondContact O-N 2.95Å; E570-E573 PolarHBondContact O-N 3.45Å
574	R	87.9	Confident	92.3	Very high	34 Å²	34	50.6 Å²	50.6	13%	0.128	26%	0.255	C	S	.	.	H	α-helix	trans	-90.4	-4.8	-177	-67.9	176.1	-177.2	-150.1	5.8	115.1	D530 E570 I571 D576 M577 W578 Y580	D530-R574 IonicContact OD1-CZ 3.41Å; D530-R574 IonicContact OD1-NH1 3.71Å; D530-R574 PolarHBondContact OD1-NH1 2.98Å; D530-R574 IonicContact OD1-NH2 3.26Å; E570-R574 WeakPolarHBondContact O-CB 3.47Å; E570-R574 VanDerWaalsContact O-CG 3.25Å; E570-R574 WeakPolarHBondContact O-CG 3.43Å; E570-R574 PolarHBondContact O-N 2.8Å; E570-R574 IonicContact OE1-CZ 3.68Å; E570-R574 IonicContact OE1-NE 2.66Å; E570-R574 PolarHBondContact OE1-NE 2.7Å; E570-R574 IonicContact OE1-NH2 2.78Å; E570-R574 PolarHBondContact OE1-NH2 3.4Å; I571-R574 PolarHBondContact O-N 3.37Å; R574-D576 VanDerWaalsContact C-N 3.26Å; R574-D576 PolarHBondContact O-N 3.34Å; R574-D576 VanDerWaalsContact O-N 3.1Å; R574-M577 PolarHBondContact O-N 2.68Å; R574-W578 PolarHBondContact O-N 3.41Å; R574-Y580 HydrophobicContact CB-CE2 4Å
575	K	89.9	Confident	92.4	Very high	102 Å²	102	51.1 Å²	51.1	44%	0.443	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-31.8	-168.8	71.7	-172.5	171	-177.1	0	115.8	I571 E572 M577 W578	I571-K575 PolarHBondContact O-N 2.91Å; I571-K575 VanDerWaalsContact O-N 3.17Å; E572-K575 VanDerWaalsContact O-CD 3.29Å; E572-K575 WeakPolarHBondContact O-CD 3.47Å; E572-K575 VanDerWaalsContact O-CG 3.32Å; E572-K575 WeakPolarHBondContact O-CG 3.39Å; E572-K575 IonicContact OE1-NZ 3.9Å; E572-K575 PolarHBondContact OE1-NZ 2.82Å; K575-M577 PolarHBondContact O-N 3.39Å; K575-W578 WeakPolarHBondContact CA-O 3.46Å
576	D	87.6	Confident	92.4	Very high	138 Å²	138	45.3 Å²	45.3	74%	0.738	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-7.9	-178.4	-60.2	-33.6	0	0	0	112.4	R574	R574-D576 VanDerWaalsContact C-N 3.26Å; R574-D576 PolarHBondContact O-N 3.34Å; R574-D576 VanDerWaalsContact O-N 3.1Å
577	M	86.4	Confident	92.4	Very high	32 Å²	32	43.8 Å²	43.8	16%	0.158	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-26	176.4	-66.4	-176.8	-69.9	0	0	113.4	Y437 V441 R574 K575 L671	Y437-M577 HydrophobicContact CD1-SD 4.2Å; Y437-M577 HydrophobicContact CE1-CE 3.52Å; Y437-M577 HydrophobicContact CE1-SD 3.59Å; Y437-M577 VanDerWaalsContact CE1-SD 3.59Å; Y437-M577 WeakPolarHBondContact OH-CE 3.37Å; V441-M577 HydrophobicContact CG1-CE 4.49Å; V441-M577 HydrophobicContact CG2-CE 4.25Å; R574-M577 PolarHBondContact O-N 2.68Å; K575-M577 PolarHBondContact O-N 3.39Å; M577-L671 WeakPolarHBondContact O-CB 3.42Å; M577-L671 WeakPolarHBondContact O-CG 3.25Å; M577-L671 PolarHBondContact O-N 2.63Å
578	W	91.8	Very high	92.2	Very high	23 Å²	23	43.8 Å²	43.8	9%	0.087	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	131.6	-173.3	-73.1	79.2	0	0	0	111.8	R574 K575 Y580 T669 D670 T677	R574-W578 PolarHBondContact O-N 3.41Å; K575-W578 WeakPolarHBondContact CA-O 3.46Å; W578-Y580 HydrophobicContact CB-CD2 3.96Å; W578-Y580 HydrophobicContact CB-CE2 3.3Å; W578-Y580 HydrophobicContact CE3-CE1 4.38Å; W578-Y580 HydrophobicContact CG-CE2 4.11Å; W578-T669 WeakPolarHBondContact CA-O 3.21Å; W578-D670 HydrophobicContact CD2-CB 4.3Å; W578-D670 HydrophobicContact CE3-CB 4.27Å; W578-D670 HydrophobicContact CH2-CB 3.79Å; W578-D670 HydrophobicContact CZ2-CB 3.82Å; W578-D670 HydrophobicContact CZ3-CB 4.03Å; W578-T677 HydrophobicContact CH2-CG2 4.15Å; W578-T677 HydrophobicContact CZ3-CG2 4.18Å
579	S	94.4	Very high	92.2	Very high	64 Å²	64	42.3 Å²	42.3	45%	0.448	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	133.6	164.6	-172.4	0	0	0	0	109.7	G668 T669	S579-G668 CarbonylContact O-C 3.53Å; S579-G668 WeakPolarHBondContact O-CA 3.3Å; S579-T669 PolarHBondContact N-O 3.39Å; S579-T669 PolarHBondContact O-N 2.97Å
580	Y	94.9	Very high	92	Very high	31 Å²	31	41.2 Å²	41.2	12%	0.122	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	133	-178.9	-70.1	-80.5	0	0	0	112	I529 I571 R574 W578 V666 Q667 G668	I529-Y580 HydrophobicContact CG2-CE1 3.73Å; I529-Y580 HydrophobicContact CG2-CE2 4.45Å; I529-Y580 WeakPolarHBondContact CG2-OH 3.29Å; I571-Y580 HydrophobicContact CB-CD2 4.2Å; I571-Y580 HydrophobicContact CD1-CG 4.25Å; I571-Y580 HydrophobicContact CG1-CD1 4.4Å; I571-Y580 HydrophobicContact CG1-CD2 3.82Å; I571-Y580 HydrophobicContact CG1-CE2 4.25Å; I571-Y580 HydrophobicContact CG1-CG 3.88Å; I571-Y580 HydrophobicContact CG2-CD2 3.9Å; I571-Y580 HydrophobicContact CG2-CG 4.26Å; R574-Y580 HydrophobicContact CB-CE2 4Å; W578-Y580 HydrophobicContact CB-CD2 3.96Å; W578-Y580 HydrophobicContact CB-CE2 3.3Å; W578-Y580 HydrophobicContact CE3-CE1 4.38Å; W578-Y580 HydrophobicContact CG-CE2 4.11Å; Y580-V666 HydrophobicContact CD1-CG1 3.96Å; Y580-V666 HydrophobicContact CE1-CG1 4.43Å; Y580-Q667 CarbonylContact C-O 3.6Å; Y580-Q667 WeakPolarHBondContact CA-O 3.43Å; Y580-G668 VanDerWaalsContact CD1-CA 3.45Å
581	T	95.2	Very high	91.7	Very high	62 Å²	62	43.6 Å²	43.6	38%	0.38	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	124.1	164.8	-60.7	0	0	0	0	108.8	T583 E626 Q667	T581-T583 HydrophobicContact CG2-CG2 4.42Å; T581-E626 HydrophobicContact CG2-CG 4.35Å; T581-Q667 PolarHBondContact N-O 3.12Å; T581-Q667 PolarHBondContact O-N 3.33Å
582	V	95.9	Very high	91.6	Very high	6 Å²	6	44 Å²	44	4%	0.036	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.4	178.2	-177.5	0	0	0	0	109.2	L567 F568 I571 V627 I664	L567-V582 HydrophobicContact CD2-CG1 3.86Å; L567-V582 HydrophobicContact CD2-CG2 3.91Å; F568-V582 HydrophobicContact CE2-CB 4.44Å; F568-V582 HydrophobicContact CE2-CG1 4.14Å; F568-V582 HydrophobicContact CE2-CG2 4.38Å; F568-V582 HydrophobicContact CZ-CB 4.05Å; F568-V582 HydrophobicContact CZ-CG1 4.19Å; F568-V582 HydrophobicContact CZ-CG2 4.11Å; I571-V582 HydrophobicContact CD1-CG2 3.52Å; V582-V627 PolarHBondContact O-N 2.98Å; V582-I664 HydrophobicContact CG1-CG2 3.94Å
583	T	95.5	Very high	91.5	Very high	29 Å²	29	40.7 Å²	40.7	18%	0.178	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146.7	174.8	58.7	0	0	0	0	110.9	T581 V624 V625 I664 T665	T581-T583 HydrophobicContact CG2-CG2 4.42Å; T583-V624 HydrophobicContact CG2-CG1 4.02Å; T583-V625 CarbonylContact C-O 3.54Å; T583-V625 WeakPolarHBondContact CA-O 3.3Å; T583-I664 WeakPolarHBondContact O-CA 3.49Å; T583-T665 PolarHBondContact N-O 3.39Å; T583-T665 PolarHBondContact O-N 3.45Å
584	V	95.2	Very high	91.6	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	134	-177.6	-179.8	0	0	0	0	109.8	V625 V627 I636 L662 C663 I664	V584-V625 PolarHBondContact N-O 2.9Å; V584-V625 PolarHBondContact O-N 3.43Å; V584-V627 HydrophobicContact CB-CG2 4.12Å; V584-V627 HydrophobicContact CG2-CG2 3.79Å; V584-I636 HydrophobicContact CG1-CG2 4.19Å; V584-L662 HydrophobicContact CG1-CD1 3.64Å; V584-L662 HydrophobicContact CG1-CG 4.47Å; V584-C663 WeakPolarHBondContact CA-O 3.36Å; V584-I664 HydrophobicContact CG2-CG1 4.49Å; V584-I664 HydrophobicContact CG2-CG2 4.48Å
585	S	94.3	Very high	91.7	Very high	12 Å²	12	36 Å²	36	8%	0.084	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	161.6	164.8	61.3	0	0	0	0	110.1	R623 C663	S585-R623 VanDerWaalsContact CB-O 3.23Å; S585-R623 WeakPolarHBondContact CB-O 3.34Å; S585-C663 PolarHBondContact N-O 2.81Å; S585-C663 PolarHBondContact O-N 2.94Å
586	S	94.2	Very high	91.8	Very high	5 Å²	5	31.6 Å²	31.6	4%	0.035	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	130.2	176.7	-168.4	0	0	0	0	111.4	L597 L661	S586-L597 PolarHBondContact O-N 2.87Å; S586-L661 CarbonylContact C-O 3.58Å; S586-L661 VanDerWaalsContact CA-O 3.24Å; S586-L661 WeakPolarHBondContact CA-O 3.48Å; S586-L661 PolarHBondContact OG-O 2.93Å
587	V	93.1	Very high	92	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	137.7	-172.9	179.7	0	0	0	0	109.1	I589 L594 R595 L622 L661 L739	V587-I589 HydrophobicContact CG1-CG1 4.28Å; V587-L594 HydrophobicContact CG1-CB 4.25Å; V587-L594 HydrophobicContact CG1-CD2 4.16Å; V587-L594 HydrophobicContact CG1-CG 4.22Å; V587-R595 WeakPolarHBondContact CA-O 3.43Å; V587-L622 HydrophobicContact CG2-CD1 3.66Å; V587-L622 HydrophobicContact CG2-CD2 3.42Å; V587-L622 VanDerWaalsContact CG2-CD2 3.42Å; V587-L622 HydrophobicContact CG2-CG 4.19Å; V587-L661 HydrophobicContact CB-CB 4.45Å; V587-L661 PolarHBondContact N-O 3.16Å; V587-L661 PolarHBondContact O-N 3.44Å; V587-L739 HydrophobicContact CG1-CD2 4.26Å
588	E	92.3	Very high	92.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.2	163.2	-176.9	166.2	-122.7	0	0	109.9	L594 R595 L597 R644 H654 S658 H659	E588-L594 CarbonylContact O-C 3.46Å; E588-L594 WeakPolarHBondContact O-CA 3.41Å; E588-R595 HydrophobicContact CB-CB 4.45Å; E588-R595 PolarHBondContact N-O 3.43Å; E588-R595 PolarHBondContact O-N 2.92Å; E588-L597 HydrophobicContact CB-CD1 4.04Å; E588-L597 HydrophobicContact CB-CD2 3.88Å; E588-L597 HydrophobicContact CB-CG 3.85Å; E588-R644 WeakPolarHBondContact OE1-CG 3.33Å; E588-H654 IonicContact OE1-CE1 3.14Å; E588-H654 PolarHBondContact OE1-CE1 2.88Å; E588-H654 IonicContact OE1-ND1 3.16Å; E588-H654 PolarHBondContact OE1-ND1 3.18Å; E588-H654 IonicContact OE2-CE1 2.7Å; E588-H654 PolarHBondContact OE2-CE1 3.29Å; E588-S658 WeakPolarHBondContact OE1-CB 3.44Å; E588-S658 PolarHBondContact OE1-OG 2.89Å; E588-H659 CarbonylContact C-O 3.59Å; E588-H659 WeakPolarHBondContact CA-O 3.43Å
589	I	91.9	Very high	91.9	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.015	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	107	167.5	-52.7	-179.1	0	0	0	107.5	V587 V593 L594 H659 L661 R735 L736 L739	V587-I589 HydrophobicContact CG1-CG1 4.28Å; I589-V593 WeakPolarHBondContact CA-O 3.39Å; I589-L594 HydrophobicContact CG1-CG 4.38Å; I589-H659 HydrophobicContact CB-CB 4.33Å; I589-H659 PolarHBondContact N-O 3.16Å; I589-H659 PolarHBondContact O-N 2.94Å; I589-L661 HydrophobicContact CD1-CD1 3.9Å; I589-L661 HydrophobicContact CG1-CD1 4.03Å; I589-R735 HydrophobicContact CD1-CB 4.41Å; I589-R735 HydrophobicContact CG2-CB 4.11Å; I589-L736 HydrophobicContact CD1-CB 4.18Å; I589-L736 HydrophobicContact CD1-CD1 4.3Å; I589-L739 HydrophobicContact CD1-CD2 4.16Å
590	Y	87.9	Confident	90.9	Very high	43 Å²	43	29.6 Å²	29.6	17%	0.169	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128.4	176.7	175.3	-104.5	0	0	0	109.1	E592 V593 H654 R657 E704	Y590-E592 VanDerWaalsContact C-N 3.28Å; Y590-E592 PolarHBondContact O-N 2.85Å; Y590-V593 PolarHBondContact N-O 2.85Å; Y590-V593 VanDerWaalsContact N-O 3.1Å; Y590-V593 PolarHBondContact O-N 2.92Å; Y590-H654 AromaticContact CD2-NE2 3.85Å; Y590-R657 WeakPolarHBondContact CD2-O 3.18Å; Y590-R657 HydrophobicContact CE2-CB 4.24Å; Y590-E704 HydrophobicContact CE2-CG 4.2Å; Y590-E704 WeakPolarHBondContact CE2-OE1 3.39Å; Y590-E704 VanDerWaalsContact OH-CD 3.27Å; Y590-E704 PolarHBondContact OH-OE1 3.42Å
591	N	85.9	Confident	89.7	Confident	67 Å²	67	33.1 Å²	33.1	36%	0.358	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	41.9	178.5	-162.1	35.9	0	0	0	113.7	V593 N707	N591-V593 PolarHBondContact O-N 2.92Å; N591-N707 WeakPolarHBondContact OD1-CB 3.32Å; N591-N707 PolarHBondContact OD1-ND2 2.99Å
592	E	88.4	Confident	88.3	Confident	31 Å²	31	32.3 Å²	32.3	15%	0.145	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	20.4	-174.5	-68.6	-68.9	99.8	0	0	115.9	Y590 S734 R735	Y590-E592 VanDerWaalsContact C-N 3.28Å; Y590-E592 PolarHBondContact O-N 2.85Å; E592-S734 WeakPolarHBondContact OE2-CA 3.42Å; E592-S734 WeakPolarHBondContact OE2-CB 3.28Å; E592-R735 HydrophobicContact CB-CG 4.38Å; E592-R735 VanDerWaalsContact O-CG 3.26Å; E592-R735 WeakPolarHBondContact O-CG 3.46Å; E592-R735 PolarHBondContact OE2-N 3.33Å
593	V	88.7	Confident	87.4	Confident	42 Å²	42	38.6 Å²	38.6	26%	0.255	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	132.7	171.8	179.5	0	0	0	0	109.7	I589 Y590 N591 K604	I589-V593 WeakPolarHBondContact CA-O 3.39Å; Y590-V593 PolarHBondContact N-O 2.85Å; Y590-V593 VanDerWaalsContact N-O 3.1Å; Y590-V593 PolarHBondContact O-N 2.92Å; N591-V593 PolarHBondContact O-N 2.92Å; V593-K604 HydrophobicContact CG1-CB 4.05Å; V593-K604 HydrophobicContact CG1-CD 4.23Å; V593-K604 HydrophobicContact CG1-CG 3.84Å
594	L	91.1	Very high	86.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	140.1	171	-69.7	76.7	0	0	0	110.1	V587 E588 I589 L605 I607 V619 R735 L739	V587-L594 HydrophobicContact CG1-CB 4.25Å; V587-L594 HydrophobicContact CG1-CD2 4.16Å; V587-L594 HydrophobicContact CG1-CG 4.22Å; E588-L594 CarbonylContact O-C 3.46Å; E588-L594 WeakPolarHBondContact O-CA 3.41Å; I589-L594 HydrophobicContact CG1-CG 4.38Å; L594-L605 HydrophobicContact CB-CB 3.89Å; L594-L605 PolarHBondContact O-N 3.01Å; L594-I607 HydrophobicContact CD1-CD1 4.17Å; L594-I607 HydrophobicContact CD1-CG1 4.09Å; L594-I607 HydrophobicContact CD2-CD1 4.13Å; L594-I607 HydrophobicContact CD2-CG1 3.59Å; L594-V619 HydrophobicContact CD2-CG1 3.91Å; L594-V619 HydrophobicContact CD2-CG2 3.75Å; L594-R735 HydrophobicContact CD1-CB 3.84Å; L594-R735 HydrophobicContact CD1-CG 3.78Å; L594-L739 HydrophobicContact CD2-CD2 4.42Å
595	R	90.1	Very high	86.4	Confident	63 Å²	63	46.2 Å²	46.2	24%	0.238	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	150.8	171.9	-59.6	-176.6	-177.4	-165.6	2	110.7	V587 E588	V587-R595 WeakPolarHBondContact CA-O 3.43Å; E588-R595 HydrophobicContact CB-CB 4.45Å; E588-R595 PolarHBondContact N-O 3.43Å; E588-R595 PolarHBondContact O-N 2.92Å
596	D	92.6	Very high	86.2	Confident	9 Å²	9	48.6 Å²	48.6	5%	0.048	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	125.2	172.1	-165.2	-24	0	0	0	110.6	L598 S599 L605 L622 R623	D596-L598 WeakPolarHBondContact OD1-CA 3.49Å; D596-L598 WeakPolarHBondContact OD1-CB 3.47Å; D596-L598 PolarHBondContact OD1-N 2.86Å; D596-S599 PolarHBondContact OD1-N 3.21Å; D596-S599 VanDerWaalsContact OD1-N 3.17Å; D596-L605 HydrophobicContact CB-CD1 4.03Å; D596-L622 HydrophobicContact CB-CD1 4.22Å; D596-R623 WeakPolarHBondContact OD2-CA 3.31Å; D596-R623 WeakPolarHBondContact OD2-CB 3.28Å; D596-R623 PolarHBondContact OD2-N 3.48Å
597	L	91.4	Very high	85.9	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.01	24%	0.244	C	C	.	.	S	Bend	trans	-87.2	-9.5	174.2	-70.6	179.9	0	0	0	113.1	S586 E588 A640 N643 R644 A660	S586-L597 PolarHBondContact O-N 2.87Å; E588-L597 HydrophobicContact CB-CD1 4.04Å; E588-L597 HydrophobicContact CB-CD2 3.88Å; E588-L597 HydrophobicContact CB-CG 3.85Å; L597-A640 HydrophobicContact CB-CB 4.03Å; L597-A640 WeakPolarHBondContact O-CA 3.43Å; L597-N643 HydrophobicContact CD2-CB 4.3Å; L597-N643 PolarHBondContact O-ND2 3.06Å; L597-R644 HydrophobicContact CD1-CB 4.35Å; L597-R644 HydrophobicContact CD2-CB 3.96Å; L597-A660 HydrophobicContact CD1-CB 4.43Å
598	L	91.5	Very high	85.6	Confident	7 Å²	7	53.8 Å²	53.8	4%	0.037	27%	0.266	C	S	.	.	S	Bend	trans	-103.6	-12.4	177.9	-53.5	-170.7	0	0	0	113.7	D596 R623 V625 I636 A640	D596-L598 WeakPolarHBondContact OD1-CA 3.49Å; D596-L598 WeakPolarHBondContact OD1-CB 3.47Å; D596-L598 PolarHBondContact OD1-N 2.86Å; L598-R623 HydrophobicContact CB-CB 4.37Å; L598-R623 WeakPolarHBondContact O-CD 3.46Å; L598-R623 PolarHBondContact O-NH1 3.13Å; L598-V625 HydrophobicContact CD1-CG2 3.94Å; L598-I636 HydrophobicContact CD1-CG2 4.03Å; L598-I636 HydrophobicContact CD2-CG2 3.7Å; L598-A640 HydrophobicContact CD2-CB 3.89Å
599	S	86.3	Confident	85.1	Confident	22 Å²	22	58.1 Å²	58.1	15%	0.154	29%	0.288	C	S	.	.			trans	-78.9	169.2	166.6	-163.6	0	0	0	0	111.7	D596 D601 N643	D596-S599 PolarHBondContact OD1-N 3.21Å; D596-S599 VanDerWaalsContact OD1-N 3.17Å; S599-D601 PolarHBondContact OG-N 3.1Å; S599-D601 VanDerWaalsContact OG-N 3.1Å; S599-D601 PolarHBondContact OG-OD2 2.93Å; S599-N643 PolarHBondContact O-ND2 2.96Å
600	K	72.8	Confident	84.5	Confident	183 Å²	183	59.5 Å²	59.5	80%	0.796	30%	0.296	S	S	*	.	S	Bend	trans	-94.1	-24.4	159.5	-69.7	-175.1	178.6	-179.3	0	111.4
601	D	69.1	Low	83.8	Confident	105 Å²	105	63.5 Å²	63.5	56%	0.561	33%	0.327	S	S	*	.	S	Bend	trans	-88.1	118.9	-168.8	-47.8	-68	0	0	0	108.9	S599 E603	S599-D601 PolarHBondContact OG-N 3.1Å; S599-D601 VanDerWaalsContact OG-N 3.1Å; S599-D601 PolarHBondContact OG-OD2 2.93Å; D601-E603 HydrophobicContact CB-CG 4.4Å; D601-E603 PolarHBondContact O-N 3.36Å
602	G	65.8	Low	83.1	Confident	46 Å²	46	64.6 Å²	64.6	47%	0.474	33%	0.333	S	S	.	.			trans	-76.2	36.9	-173.5	0	0	0	0	0	114.5
603	E	76.6	Confident	82	Confident	138 Å²	138	66.6 Å²	66.6	65%	0.645	36%	0.362	S	S	*	.			trans	-64.3	147	-177.4	-63.5	-158.9	146.2	0	0	112.1	D601 L605	D601-E603 HydrophobicContact CB-CG 4.4Å; D601-E603 PolarHBondContact O-N 3.36Å; E603-L605 PolarHBondContact O-N 2.95Å
604	K	81.5	Confident	81.1	Confident	174 Å²	174	68.3 Å²	68.3	76%	0.757	37%	0.373	S	S	*	.			trans	-84.9	110.5	178.3	-61.2	-175.4	-176.3	173.7	0	109	V593	V593-K604 HydrophobicContact CG1-CB 4.05Å; V593-K604 HydrophobicContact CG1-CD 4.23Å; V593-K604 HydrophobicContact CG1-CG 3.84Å
605	L	89.7	Confident	80.1	Confident	17 Å²	17	70.3 Å²	70.3	9%	0.089	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-87.1	159.7	178.8	-58.2	-178.2	0	0	0	112	L594 D596 E603 V619 L622	L594-L605 HydrophobicContact CB-CB 3.89Å; L594-L605 PolarHBondContact O-N 3.01Å; D596-L605 HydrophobicContact CB-CD1 4.03Å; E603-L605 PolarHBondContact O-N 2.95Å; L605-V619 HydrophobicContact CB-CG1 3.56Å; L605-V619 HydrophobicContact CD1-CG1 3.8Å; L605-V619 HydrophobicContact CG-CG1 4.26Å; L605-L622 HydrophobicContact CD1-CB 3.99Å; L605-L622 HydrophobicContact CD1-CD1 4.12Å
606	D	88.4	Confident	79.5	Confident	62 Å²	62	69.5 Å²	69.5	33%	0.332	39%	0.392	S	S	.	.			trans	-134.7	153.2	-178.5	-171	25.9	0	0	0	110.6	V619 P620 R735	D606-V619 WeakPolarHBondContact O-CA 3.49Å; D606-P620 WeakPolarHBondContact O-CD 2.89Å; D606-R735 IonicContact OD1-CZ 3.57Å; D606-R735 IonicContact OD1-NH1 3.14Å; D606-R735 PolarHBondContact OD1-NH1 3.19Å; D606-R735 IonicContact OD1-NH2 2.71Å; D606-R735 PolarHBondContact OD1-NH2 3.29Å
607	I	88.8	Confident	79.1	Confident	7 Å²	7	69.5 Å²	69.5	4%	0.036	39%	0.392	C	S	.	.			trans	-96.1	124.4	-177.7	-55.1	167.3	0	0	0	108.7	L594 L617 V619 R735 Y738 L739	L594-I607 HydrophobicContact CD1-CD1 4.17Å; L594-I607 HydrophobicContact CD1-CG1 4.09Å; L594-I607 HydrophobicContact CD2-CD1 4.13Å; L594-I607 HydrophobicContact CD2-CG1 3.59Å; I607-L617 HydrophobicContact CG2-CB 4.23Å; I607-L617 HydrophobicContact CG2-CD1 4.38Å; I607-L617 HydrophobicContact CG2-CD2 4.49Å; I607-V619 HydrophobicContact CG1-CG2 4.28Å; I607-R735 HydrophobicContact CD1-CB 4.42Å; I607-R735 WeakPolarHBondContact CD1-O 3.4Å; I607-Y738 HydrophobicContact CB-CD1 3.84Å; I607-Y738 HydrophobicContact CB-CE1 3.94Å; I607-Y738 HydrophobicContact CD1-CD1 3.93Å; I607-Y738 HydrophobicContact CD1-CG 4.35Å; I607-Y738 HydrophobicContact CG2-CD1 3.71Å; I607-Y738 HydrophobicContact CG2-CE1 3.67Å; I607-Y738 HydrophobicContact CG2-CG 4.34Å; I607-L739 HydrophobicContact CD1-CB 3.9Å
608	K	86.6	Confident	78.8	Confident	109 Å²	109	72.3 Å²	72.3	47%	0.474	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	152.5	179.5	-56	-166.2	-169.6	176.9	0	111.4	H618 P620	K608-H618 PolarHBondContact N-O 2.77Å; K608-H618 PolarHBondContact O-N 3.2Å; K608-H618 PolarHBondContact O-ND1 2.88Å; K608-H618 VanDerWaalsContact O-O 3.09Å; K608-P620 HydrophobicContact CB-CG 4.23Å; K608-P620 HydrophobicContact CD-CG 3.8Å; K608-P620 HydrophobicContact CG-CG 3.96Å
609	I	82.9	Confident	78.7	Confident	91 Å²	91	72.6 Å²	72.6	47%	0.467	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	140.9	169.3	-58.3	171.7	0	0	0	108	Q616 L617 H618	I609-Q616 CarbonylContact C-O 3.55Å; I609-Q616 WeakPolarHBondContact CA-O 3.35Å; I609-L617 HydrophobicContact CG1-CD2 3.86Å; I609-H618 PolarHBondContact O-CE1 3.38Å; I609-H618 VanDerWaalsContact O-CE1 3.3Å
610	N	78.1	Confident	78.8	Confident	32 Å²	32	73.9 Å²	73.9	17%	0.171	42%	0.415	C	S	.	.			trans	-59.8	141	176.9	-75.5	12.5	0	0	0	111.7	D612 Q616 H618	N610-D612 HydrophobicContact CB-CB 4.46Å; N610-D612 VanDerWaalsContact CB-CG 3.41Å; N610-D612 WeakPolarHBondContact CB-OD1 3.31Å; N610-D612 WeakPolarHBondContact CB-OD2 3.24Å; N610-D612 PolarHBondContact ND2-OD2 2.68Å; N610-D612 PolarHBondContact O-N 3.48Å; N610-Q616 PolarHBondContact N-O 2.73Å; N610-Q616 PolarHBondContact OD1-O 3.25Å; N610-H618 WeakPolarHBondContact OD1-CB 3.41Å; N610-H618 VanDerWaalsContact OD1-CG 3.24Å; N610-H618 PolarHBondContact OD1-N 3.47Å; N610-H618 PolarHBondContact OD1-ND1 3.41Å
611	P	73.1	Confident	79.4	Confident	127 Å²	127	68.2 Å²	68.2	83%	0.825	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-4.9	172.5	32.8	-36.1	0	0	0	113.4	G613	P611-G613 PolarHBondContact O-N 2.95Å
612	D	72.1	Confident	80.5	Confident	90 Å²	90	64.5 Å²	64.5	48%	0.481	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-0.4	-179.9	63.8	17.9	0	0	0	114.5	N610 T614	N610-D612 HydrophobicContact CB-CB 4.46Å; N610-D612 VanDerWaalsContact CB-CG 3.41Å; N610-D612 WeakPolarHBondContact CB-OD1 3.31Å; N610-D612 WeakPolarHBondContact CB-OD2 3.24Å; N610-D612 PolarHBondContact ND2-OD2 2.68Å; N610-D612 PolarHBondContact O-N 3.48Å; D612-T614 HydrophobicContact CB-CG2 4.38Å; D612-T614 VanDerWaalsContact CG-OG1 3.25Å; D612-T614 PolarHBondContact O-N 2.66Å; D612-T614 VanDerWaalsContact OD1-CB 3.23Å; D612-T614 WeakPolarHBondContact OD1-CB 3.45Å; D612-T614 VanDerWaalsContact OD1-CG2 3.31Å; D612-T614 WeakPolarHBondContact OD1-CG2 3.49Å; D612-T614 PolarHBondContact OD1-N 3.3Å; D612-T614 PolarHBondContact OD1-OG1 2.78Å; D612-T614 PolarHBondContact OD2-OG1 3.3Å
613	G	64.5	Low	81.7	Confident	73 Å²	73	69 Å²	69	75%	0.753	39%	0.391	S	S	*	.	S	Bend	trans	76.8	-4.1	-178.3	0	0	0	0	0	115.3	P611 G615	P611-G613 PolarHBondContact O-N 2.95Å; G613-G615 PolarHBondContact O-N 3.45Å
614	T	70.1	Confident	82.5	Confident	78 Å²	78	66.7 Å²	66.7	48%	0.479	39%	0.386	S	S	.	.	S	Bend	trans	-74.8	-9.3	-177.7	67	0	0	0	0	114.2	D612 Q616	D612-T614 HydrophobicContact CB-CG2 4.38Å; D612-T614 VanDerWaalsContact CG-OG1 3.25Å; D612-T614 PolarHBondContact O-N 2.66Å; D612-T614 VanDerWaalsContact OD1-CB 3.23Å; D612-T614 WeakPolarHBondContact OD1-CB 3.45Å; D612-T614 VanDerWaalsContact OD1-CG2 3.31Å; D612-T614 WeakPolarHBondContact OD1-CG2 3.49Å; D612-T614 PolarHBondContact OD1-N 3.3Å; D612-T614 PolarHBondContact OD1-OG1 2.78Å; D612-T614 PolarHBondContact OD2-OG1 3.3Å; T614-Q616 PolarHBondContact O-N 2.86Å; T614-Q616 WeakPolarHBondContact OG1-CG 3.41Å; T614-Q616 PolarHBondContact OG1-NE2 3.33Å
615	G	70.9	Confident	83.1	Confident	41 Å²	41	59.6 Å²	59.6	42%	0.423	36%	0.357	S	S	.	.			trans	72.7	-1.1	-178.1	0	0	0	0	0	115.3	G613	G613-G615 PolarHBondContact O-N 3.45Å
616	Q	76.4	Confident	83.3	Confident	47 Å²	47	62.9 Å²	62.9	22%	0.22	37%	0.372	C	S	.	.			trans	-66.5	160.4	179.1	-66.8	177.3	97.5	0	0	112.4	I609 N610 T614 K787	I609-Q616 CarbonylContact C-O 3.55Å; I609-Q616 WeakPolarHBondContact CA-O 3.35Å; N610-Q616 PolarHBondContact N-O 2.73Å; N610-Q616 PolarHBondContact OD1-O 3.25Å; T614-Q616 PolarHBondContact O-N 2.86Å; T614-Q616 WeakPolarHBondContact OG1-CG 3.41Å; T614-Q616 PolarHBondContact OG1-NE2 3.33Å; Q616-K787 VanDerWaalsContact CD-NZ 3.31Å
617	L	84.2	Confident	83.4	Confident	8 Å²	8	60.2 Å²	60.2	4%	0.042	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133.2	177.8	-58.3	179.2	0	0	0	112.4	I607 I609 Y738 Q741 D742	I607-L617 HydrophobicContact CG2-CB 4.23Å; I607-L617 HydrophobicContact CG2-CD1 4.38Å; I607-L617 HydrophobicContact CG2-CD2 4.49Å; I609-L617 HydrophobicContact CG1-CD2 3.86Å; L617-Y738 HydrophobicContact CD1-CD2 3.57Å; L617-Y738 HydrophobicContact CD1-CE2 3.43Å; L617-Y738 VanDerWaalsContact CD1-CE2 3.43Å; L617-Y738 HydrophobicContact CD1-CG 4.32Å; L617-Y738 WeakPolarHBondContact CD1-O 3.13Å; L617-Y738 HydrophobicContact CD2-CE2 3.72Å; L617-Y738 WeakPolarHBondContact CD2-OH 3.39Å; L617-Y738 HydrophobicContact CG-CE2 4.25Å; L617-Q741 HydrophobicContact CD1-CB 3.83Å; L617-Q741 HydrophobicContact CD1-CG 4.48Å; L617-D742 PolarHBondContact N-OD2 2.89Å
618	H	85.4	Confident	83.3	Confident	61 Å²	61	68.9 Å²	68.9	28%	0.282	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	170.8	169.5	73.7	-54.2	0	0	0	111.5	K608 I609 N610	K608-H618 PolarHBondContact N-O 2.77Å; K608-H618 PolarHBondContact O-N 3.2Å; K608-H618 PolarHBondContact O-ND1 2.88Å; K608-H618 VanDerWaalsContact O-O 3.09Å; I609-H618 PolarHBondContact O-CE1 3.38Å; I609-H618 VanDerWaalsContact O-CE1 3.3Å; N610-H618 WeakPolarHBondContact OD1-CB 3.41Å; N610-H618 VanDerWaalsContact OD1-CG 3.24Å; N610-H618 PolarHBondContact OD1-N 3.47Å; N610-H618 PolarHBondContact OD1-ND1 3.41Å
619	V	89.8	Confident	83.1	Confident	13 Å²	13	67.3 Å²	67.3	8%	0.079	39%	0.387	C	S	.	.			trans	-121.3	89.8	175.4	-178.2	0	0	0	0	106.4	L594 L605 D606 I607 G621 L622 L739	L594-V619 HydrophobicContact CD2-CG1 3.91Å; L594-V619 HydrophobicContact CD2-CG2 3.75Å; L605-V619 HydrophobicContact CB-CG1 3.56Å; L605-V619 HydrophobicContact CD1-CG1 3.8Å; L605-V619 HydrophobicContact CG-CG1 4.26Å; D606-V619 WeakPolarHBondContact O-CA 3.49Å; I607-V619 HydrophobicContact CG1-CG2 4.28Å; V619-G621 PolarHBondContact O-N 3.02Å; V619-L622 HydrophobicContact CB-CB 3.95Å; V619-L622 HydrophobicContact CB-CD2 4.09Å; V619-L622 HydrophobicContact CG1-CB 3.97Å; V619-L622 WeakPolarHBondContact O-CB 3.37Å; V619-L622 PolarHBondContact O-N 2.99Å; V619-L739 HydrophobicContact CG2-CD1 3.83Å
620	P	87	Confident	83.1	Confident	50 Å²	50	65.7 Å²	65.7	33%	0.325	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	137.7	178.6	20.8	-27.9	0	0	0	110.4	D606 K608	D606-P620 WeakPolarHBondContact O-CD 2.89Å; K608-P620 HydrophobicContact CB-CG 4.23Å; K608-P620 HydrophobicContact CD-CG 3.8Å; K608-P620 HydrophobicContact CG-CG 3.96Å
621	G	86.4	Confident	83.4	Confident	63 Å²	63	71.2 Å²	71.2	65%	0.649	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.2	-15.9	-169.8	0	0	0	0	0	114.6	V619 R623	V619-G621 PolarHBondContact O-N 3.02Å; G621-R623 PolarHBondContact O-N 3.38Å
622	L	91.2	Very high	84.1	Confident	28 Å²	28	68.4 Å²	68.4	15%	0.147	38%	0.377	C	S	.	.			trans	-67.9	125	174.4	179.9	59.2	0	0	0	111.4	V587 D596 L605 V619 V624	V587-L622 HydrophobicContact CG2-CD1 3.66Å; V587-L622 HydrophobicContact CG2-CD2 3.42Å; V587-L622 VanDerWaalsContact CG2-CD2 3.42Å; V587-L622 HydrophobicContact CG2-CG 4.19Å; D596-L622 HydrophobicContact CB-CD1 4.22Å; L605-L622 HydrophobicContact CD1-CB 3.99Å; L605-L622 HydrophobicContact CD1-CD1 4.12Å; V619-L622 HydrophobicContact CB-CB 3.95Å; V619-L622 HydrophobicContact CB-CD2 4.09Å; V619-L622 HydrophobicContact CG1-CB 3.97Å; V619-L622 WeakPolarHBondContact O-CB 3.37Å; V619-L622 PolarHBondContact O-N 2.99Å; L622-V624 PolarHBondContact O-N 3Å
623	R	92.1	Very high	84.6	Confident	140 Å²	140	64.2 Å²	64.2	53%	0.528	35%	0.354	S	S	.	.			trans	-67.9	114.7	177.1	-169.8	-178	-168.5	174	9.6	111.4	S585 D596 L598 G621 V625	S585-R623 VanDerWaalsContact CB-O 3.23Å; S585-R623 WeakPolarHBondContact CB-O 3.34Å; D596-R623 WeakPolarHBondContact OD2-CA 3.31Å; D596-R623 WeakPolarHBondContact OD2-CB 3.28Å; D596-R623 PolarHBondContact OD2-N 3.48Å; L598-R623 HydrophobicContact CB-CB 4.37Å; L598-R623 WeakPolarHBondContact O-CD 3.46Å; L598-R623 PolarHBondContact O-NH1 3.13Å; G621-R623 PolarHBondContact O-N 3.38Å; R623-V625 HydrophobicContact CG-CG2 4.05Å
624	V	92.8	Very high	85.7	Confident	90 Å²	90	65.8 Å²	65.8	55%	0.545	34%	0.341	S	S	.	.			trans	-96.3	127.6	169.1	-179.1	0	0	0	0	108.6	T583 L622	T583-V624 HydrophobicContact CG2-CG1 4.02Å; L622-V624 PolarHBondContact O-N 3Å
625	V	93.9	Very high	86.6	Confident	25 Å²	25	68.9 Å²	68.9	15%	0.152	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.4	-178.8	-176.7	0	0	0	0	109.5	T583 V584 L598 R623 V627 I636	T583-V625 CarbonylContact C-O 3.54Å; T583-V625 WeakPolarHBondContact CA-O 3.3Å; V584-V625 PolarHBondContact N-O 2.9Å; V584-V625 PolarHBondContact O-N 3.43Å; L598-V625 HydrophobicContact CD1-CG2 3.94Å; R623-V625 HydrophobicContact CG-CG2 4.05Å; V625-V627 WeakPolarHBondContact O-CG2 3.42Å; V625-I636 HydrophobicContact CB-CD1 4.32Å; V625-I636 HydrophobicContact CG1-CD1 3.79Å; V625-I636 HydrophobicContact CG1-CG1 4.48Å
626	E	94.5	Very high	87.5	Confident	86 Å²	86	67.5 Å²	67.5	40%	0.402	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	136.4	171.5	-162.1	-139.1	118.3	0	0	110.4	T581 R628 H632	T581-E626 HydrophobicContact CG2-CG 4.35Å; E626-R628 WeakPolarHBondContact OE1-CG 3.42Å; E626-R628 IonicContact OE1-CZ 3.91Å; E626-R628 IonicContact OE1-NE 3.68Å; E626-R628 PolarHBondContact OE1-NE 3.2Å; E626-R628 IonicContact OE1-NH2 2.67Å; E626-R628 PolarHBondContact OE1-NH2 2.95Å; E626-R628 IonicContact OE2-CZ 2.97Å; E626-R628 IonicContact OE2-NE 3.35Å; E626-R628 IonicContact OE2-NH2 3.62Å; E626-R628 PolarHBondContact OE2-NH2 3.06Å; E626-H632 PolarHBondContact O-CE1 3.35Å
627	V	91.6	Very high	88.1	Confident	5 Å²	5	66.7 Å²	66.7	3%	0.03	33%	0.327	C	S	.	.			trans	-129.6	118.2	-174.9	-167.2	0	0	0	0	112.6	F568 V582 V584 V625 N629 H632 I633 I636	F568-V627 HydrophobicContact CZ-CB 4.47Å; F568-V627 HydrophobicContact CZ-CG1 4.29Å; F568-V627 WeakPolarHBondContact CZ-O 3.43Å; V582-V627 PolarHBondContact O-N 2.98Å; V584-V627 HydrophobicContact CB-CG2 4.12Å; V584-V627 HydrophobicContact CG2-CG2 3.79Å; V625-V627 WeakPolarHBondContact O-CG2 3.42Å; V627-N629 WeakPolarHBondContact CG1-O 3.36Å; V627-H632 HydrophobicContact CG1-CB 3.95Å; V627-I633 HydrophobicContact CB-CG1 4.39Å; V627-I633 HydrophobicContact CG1-CD1 4.09Å; V627-I633 HydrophobicContact CG1-CG1 3.39Å; V627-I636 HydrophobicContact CG2-CD1 3.48Å; V627-I636 VanDerWaalsContact CG2-CD1 3.48Å
628	R	86	Confident	88.3	Confident	190 Å²	190	68.7 Å²	68.7	72%	0.717	35%	0.345	S	S	*	.			trans	-98.7	-11.6	-176.4	-59	-178.9	-175	171.6	5	114.8	E626	E626-R628 WeakPolarHBondContact OE1-CG 3.42Å; E626-R628 IonicContact OE1-CZ 3.91Å; E626-R628 IonicContact OE1-NE 3.68Å; E626-R628 PolarHBondContact OE1-NE 3.2Å; E626-R628 IonicContact OE1-NH2 2.67Å; E626-R628 PolarHBondContact OE1-NH2 2.95Å; E626-R628 IonicContact OE2-CZ 2.97Å; E626-R628 IonicContact OE2-NE 3.35Å; E626-R628 IonicContact OE2-NH2 3.62Å; E626-R628 PolarHBondContact OE2-NH2 3.06Å
629	N	83.1	Confident	88.5	Confident	75 Å²	75	68.2 Å²	68.2	40%	0.401	35%	0.346	S	S	.	.	S	Bend	trans	-162.8	161.9	178.1	61.5	65.8	0	0	0	113.4	V627 Q631 H632 I633	V627-N629 WeakPolarHBondContact CG1-O 3.36Å; N629-Q631 VanDerWaalsContact C-N 3.28Å; N629-Q631 PolarHBondContact O-N 2.64Å; N629-Q631 WeakPolarHBondContact OD1-CB 3.34Å; N629-Q631 PolarHBondContact OD1-N 2.75Å; N629-Q631 VanDerWaalsContact OD1-N 3.11Å; N629-H632 PolarHBondContact O-N 2.89Å; N629-H632 PolarHBondContact OD1-N 3.45Å; N629-I633 PolarHBondContact O-N 3.29Å
630	F	81.7	Confident	88.5	Confident	57 Å²	57	68 Å²	68	25%	0.25	35%	0.345	C	S	.	.	H	α-helix	trans	-62.9	-24.6	179.6	-175.7	-119.5	0	0	0	114.7	Q561 K565 I633 K634	Q561-F630 WeakPolarHBondContact O-CE2 3.36Å; K565-F630 HydrophobicContact CB-CD2 4.26Å; K565-F630 HydrophobicContact CB-CE2 3.74Å; K565-F630 HydrophobicContact CB-CZ 3.89Å; K565-F630 HydrophobicContact CG-CE1 4.5Å; K565-F630 HydrophobicContact CG-CZ 4.31Å; F630-I633 WeakPolarHBondContact O-CB 3.27Å; F630-I633 PolarHBondContact O-N 3.12Å; F630-K634 HydrophobicContact CE1-CD 4.39Å; F630-K634 PolarHBondContact O-N 3Å; F630-K634 VanDerWaalsContact O-N 3.15Å
631	Q	85	Confident	88.4	Confident	149 Å²	149	71.4 Å²	71.4	70%	0.696	35%	0.352	S	S	*	.	H	α-helix	trans	-71.2	-37.8	175.5	-61.7	-172.4	5	0	0	111.7	N629 I633 K634 K635	N629-Q631 VanDerWaalsContact C-N 3.28Å; N629-Q631 PolarHBondContact O-N 2.64Å; N629-Q631 WeakPolarHBondContact OD1-CB 3.34Å; N629-Q631 PolarHBondContact OD1-N 2.75Å; N629-Q631 VanDerWaalsContact OD1-N 3.11Å; Q631-I633 VanDerWaalsContact C-N 3.32Å; Q631-K634 PolarHBondContact O-N 3.1Å; Q631-K635 PolarHBondContact O-N 3.35Å
632	H	87	Confident	88.4	Confident	68 Å²	68	75 Å²	75	32%	0.315	35%	0.346	S	S	.	.	H	α-helix	trans	-64.1	-39.7	173.7	-171.9	-154.1	0	0	0	110.8	E626 V627 N629 K634 K635 I636	E626-H632 PolarHBondContact O-CE1 3.35Å; V627-H632 HydrophobicContact CG1-CB 3.95Å; N629-H632 PolarHBondContact O-N 2.89Å; N629-H632 PolarHBondContact OD1-N 3.45Å; H632-K634 PolarHBondContact O-N 3.47Å; H632-K635 WeakPolarHBondContact O-CB 3.28Å; H632-K635 PolarHBondContact O-N 2.93Å; H632-K635 VanDerWaalsContact O-N 3.11Å; H632-I636 WeakPolarHBondContact O-CG1 3.49Å; H632-I636 PolarHBondContact O-N 3.42Å
633	I	83.9	Confident	88.1	Confident	2 Å²	2	74.8 Å²	74.8	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-55.9	-48.1	172.6	-64.7	-173.3	0	0	0	111.9	L564 F568 V627 N629 F630 Q631 K635 I636 L637	L564-I633 HydrophobicContact CB-CD1 3.84Å; L564-I633 HydrophobicContact CB-CG2 4.08Å; L564-I633 HydrophobicContact CD1-CD1 4.15Å; L564-I633 HydrophobicContact CD1-CG2 3.55Å; L564-I633 HydrophobicContact CD2-CD1 3.85Å; L564-I633 HydrophobicContact CG-CD1 4.15Å; L564-I633 HydrophobicContact CG-CG2 4.38Å; F568-I633 HydrophobicContact CD2-CD1 3.92Å; F568-I633 HydrophobicContact CE2-CD1 3.49Å; F568-I633 VanDerWaalsContact CE2-CD1 3.49Å; F568-I633 HydrophobicContact CZ-CD1 4.26Å; V627-I633 HydrophobicContact CB-CG1 4.39Å; V627-I633 HydrophobicContact CG1-CD1 4.09Å; V627-I633 HydrophobicContact CG1-CG1 3.39Å; N629-I633 PolarHBondContact O-N 3.29Å; F630-I633 WeakPolarHBondContact O-CB 3.27Å; F630-I633 PolarHBondContact O-N 3.12Å; Q631-I633 VanDerWaalsContact C-N 3.32Å; I633-K635 PolarHBondContact O-N 3.28Å; I633-I636 PolarHBondContact O-N 2.83Å; I633-I636 VanDerWaalsContact O-N 3.08Å; I633-L637 HydrophobicContact CG2-CD1 3.72Å; I633-L637 HydrophobicContact CG2-CG 3.99Å; I633-L637 WeakPolarHBondContact O-CG 3.41Å; I633-L637 PolarHBondContact O-N 3.3Å
634	K	86.1	Confident	87.7	Confident	106 Å²	106	68.7 Å²	68.7	46%	0.461	32%	0.322	S	S	.	.	H	α-helix	trans	-58.4	-35.6	178.3	-76	-169	168.4	-170.1	0	112.7	F630 Q631 H632 A638	F630-K634 HydrophobicContact CE1-CD 4.39Å; F630-K634 PolarHBondContact O-N 3Å; F630-K634 VanDerWaalsContact O-N 3.15Å; Q631-K634 PolarHBondContact O-N 3.1Å; H632-K634 PolarHBondContact O-N 3.47Å; K634-A638 VanDerWaalsContact O-CB 3.23Å; K634-A638 WeakPolarHBondContact O-CB 3.4Å; K634-A638 PolarHBondContact O-N 3.22Å
635	K	89.3	Confident	86.8	Confident	143 Å²	143	69.5 Å²	69.5	62%	0.622	32%	0.322	S	S	*	.	H	α-helix	trans	-69.5	-40.4	174.2	-63.9	178.5	-178.8	-178.7	0	112.4	Q631 H632 I633 T639	Q631-K635 PolarHBondContact O-N 3.35Å; H632-K635 WeakPolarHBondContact O-CB 3.28Å; H632-K635 PolarHBondContact O-N 2.93Å; H632-K635 VanDerWaalsContact O-N 3.11Å; I633-K635 PolarHBondContact O-N 3.28Å; K635-T639 WeakPolarHBondContact O-CB 3.45Å; K635-T639 PolarHBondContact O-N 3.09Å; K635-T639 PolarHBondContact O-OG1 2.93Å
636	I	89.6	Confident	85.4	Confident	12 Å²	12	73.1 Å²	73.1	6%	0.062	34%	0.344	C	S	.	.	H	α-helix	trans	-63.4	-51.3	175.9	-69	165.3	0	0	0	110.3	V584 L598 V625 V627 H632 I633 A638 T639 A640	V584-I636 HydrophobicContact CG1-CG2 4.19Å; L598-I636 HydrophobicContact CD1-CG2 4.03Å; L598-I636 HydrophobicContact CD2-CG2 3.7Å; V625-I636 HydrophobicContact CB-CD1 4.32Å; V625-I636 HydrophobicContact CG1-CD1 3.79Å; V625-I636 HydrophobicContact CG1-CG1 4.48Å; V627-I636 HydrophobicContact CG2-CD1 3.48Å; V627-I636 VanDerWaalsContact CG2-CD1 3.48Å; H632-I636 WeakPolarHBondContact O-CG1 3.49Å; H632-I636 PolarHBondContact O-N 3.42Å; I633-I636 PolarHBondContact O-N 2.83Å; I633-I636 VanDerWaalsContact O-N 3.08Å; I636-A638 PolarHBondContact O-N 3.27Å; I636-T639 WeakPolarHBondContact O-CA 3.25Å; I636-T639 WeakPolarHBondContact O-CB 3.29Å; I636-T639 PolarHBondContact O-N 3.09Å; I636-A640 PolarHBondContact O-N 3.35Å
637	L	89.3	Confident	83.7	Confident	30 Å²	30	72.1 Å²	72.1	16%	0.157	34%	0.339	C	S	.	.	H	α-helix	trans	-60.9	-43.2	178.6	-66.8	178.1	0	0	0	112.3	Q561 I633 T639 A640 R641 L662	Q561-L637 HydrophobicContact CG-CD1 3.72Å; I633-L637 HydrophobicContact CG2-CD1 3.72Å; I633-L637 HydrophobicContact CG2-CG 3.99Å; I633-L637 WeakPolarHBondContact O-CG 3.41Å; I633-L637 PolarHBondContact O-N 3.3Å; L637-T639 PolarHBondContact O-N 3.11Å; L637-A640 PolarHBondContact O-N 2.98Å; L637-R641 WeakPolarHBondContact O-CB 3.44Å; L637-R641 PolarHBondContact O-N 3.09Å; L637-L662 HydrophobicContact CD2-CD1 3.95Å; L637-L662 HydrophobicContact CD2-CD2 3.58Å; L637-L662 HydrophobicContact CD2-CG 4.43Å
638	A	88.8	Confident	81.8	Confident	50 Å²	50	73 Å²	73	41%	0.413	35%	0.349	S	S	.	.	H	α-helix	trans	-65.3	-25.6	175.1	0	0	0	0	0	112.9	K634 I636 R642	K634-A638 VanDerWaalsContact O-CB 3.23Å; K634-A638 WeakPolarHBondContact O-CB 3.4Å; K634-A638 PolarHBondContact O-N 3.22Å; I636-A638 PolarHBondContact O-N 3.27Å; A638-R642 WeakPolarHBondContact O-CB 3.37Å; A638-R642 PolarHBondContact O-N 3.48Å; A638-R642 VanDerWaalsContact O-N 3.15Å
639	T	89.8	Confident	79.8	Confident	50 Å²	50	68.8 Å²	68.8	31%	0.307	34%	0.344	S	S	.	.	H	α-helix	trans	-79.4	-47.5	175.3	-57.5	0	0	0	0	111	K635 I636 L637 R641 R642 N643	K635-T639 WeakPolarHBondContact O-CB 3.45Å; K635-T639 PolarHBondContact O-N 3.09Å; K635-T639 PolarHBondContact O-OG1 2.93Å; I636-T639 WeakPolarHBondContact O-CA 3.25Å; I636-T639 WeakPolarHBondContact O-CB 3.29Å; I636-T639 PolarHBondContact O-N 3.09Å; L637-T639 PolarHBondContact O-N 3.11Å; T639-R641 VanDerWaalsContact C-N 3.34Å; T639-R641 PolarHBondContact O-N 3.22Å; T639-R642 PolarHBondContact O-N 3.11Å; T639-R642 VanDerWaalsContact O-N 3.15Å; T639-N643 PolarHBondContact O-N 2.88Å
640	A	89	Confident	77.6	Confident	8 Å²	8	75.2 Å²	75.2	7%	0.066	37%	0.372	C	S	.	.	H	α-helix	trans	-54.9	-48.5	173.3	0	0	0	0	0	112	L597 L598 I636 L637 R642 N643 R644	L597-A640 HydrophobicContact CB-CB 4.03Å; L597-A640 WeakPolarHBondContact O-CA 3.43Å; L598-A640 HydrophobicContact CD2-CB 3.89Å; I636-A640 PolarHBondContact O-N 3.35Å; L637-A640 PolarHBondContact O-N 2.98Å; A640-R642 PolarHBondContact O-N 3.14Å; A640-N643 PolarHBondContact O-N 3.39Å; A640-R644 WeakPolarHBondContact O-CB 3.37Å; A640-R644 PolarHBondContact O-N 2.91Å
641	R	85.3	Confident	75.4	Confident	123 Å²	123	80 Å²	80	46%	0.464	40%	0.397	S	S	.	.	H	α-helix	trans	-63.4	-39.8	176.7	-176.8	178	173.9	149.6	-10.5	112.7	E551 L637 T639 I645	E551-R641 VanDerWaalsContact OE2-CD 3.32Å; E551-R641 WeakPolarHBondContact OE2-CD 3.49Å; E551-R641 IonicContact OE2-CZ 3.71Å; E551-R641 IonicContact OE2-NE 3.79Å; E551-R641 IonicContact OE2-NH1 2.66Å; E551-R641 PolarHBondContact OE2-NH1 2.64Å; E551-R641 VanDerWaalsContact OE2-NH1 3.15Å; L637-R641 WeakPolarHBondContact O-CB 3.44Å; L637-R641 PolarHBondContact O-N 3.09Å; T639-R641 VanDerWaalsContact C-N 3.34Å; T639-R641 PolarHBondContact O-N 3.22Å; R641-I645 HydrophobicContact CG-CD1 4.14Å; R641-I645 WeakPolarHBondContact O-CD1 3.45Å; R641-I645 VanDerWaalsContact O-CG1 3.3Å; R641-I645 WeakPolarHBondContact O-CG1 3.49Å; R641-I645 PolarHBondContact O-N 3Å
642	R	86	Confident	73.4	Confident	139 Å²	139	74.6 Å²	74.6	53%	0.525	37%	0.373	S	S	.	.	H	α-helix	trans	-61.6	-49.6	174.9	-174.7	-174.1	-60.1	97.6	1.2	110.4	A638 T639 A640 R644 I645 T646	A638-R642 WeakPolarHBondContact O-CB 3.37Å; A638-R642 PolarHBondContact O-N 3.48Å; A638-R642 VanDerWaalsContact O-N 3.15Å; T639-R642 PolarHBondContact O-N 3.11Å; T639-R642 VanDerWaalsContact O-N 3.15Å; A640-R642 PolarHBondContact O-N 3.14Å; R642-R644 PolarHBondContact O-N 2.84Å; R642-I645 CarbonylContact O-C 3.59Å; R642-I645 WeakPolarHBondContact O-CA 3.46Å; R642-I645 WeakPolarHBondContact O-CB 3.36Å; R642-I645 PolarHBondContact O-N 3.41Å; R642-T646 PolarHBondContact O-N 2.75Å; R642-T646 PolarHBondContact O-OG1 2.88Å; R642-T646 VanDerWaalsContact O-OG1 3.09Å
643	N	85.3	Confident	72	Confident	23 Å²	23	78.4 Å²	78.4	12%	0.123	39%	0.391	C	S	.	.	H	α-helix	trans	-63.3	-41.5	-178.7	-69.7	-7	0	0	0	111.9	L597 S599 T639 A640 I645 T646 F647	L597-N643 HydrophobicContact CD2-CB 4.3Å; L597-N643 PolarHBondContact O-ND2 3.06Å; S599-N643 PolarHBondContact O-ND2 2.96Å; T639-N643 PolarHBondContact O-N 2.88Å; A640-N643 PolarHBondContact O-N 3.39Å; N643-I645 PolarHBondContact O-N 2.98Å; N643-I645 VanDerWaalsContact O-N 3.15Å; N643-T646 PolarHBondContact O-N 3.35Å; N643-F647 HydrophobicContact CB-CD2 4.32Å; N643-F647 HydrophobicContact CB-CE2 4.12Å; N643-F647 VanDerWaalsContact O-CD2 3.24Å; N643-F647 WeakPolarHBondContact O-CD2 3.44Å; N643-F647 PolarHBondContact O-N 3.3Å
644	R	84.2	Confident	70.9	Confident	11 Å²	11	79.1 Å²	79.1	4%	0.042	39%	0.394	C	S	.	.	H	α-helix	trans	-57.9	-24.8	172.4	-164.1	-175	-178.8	-166.4	3.4	113.1	E551 E588 L597 A640 R642 H654 S655 S658 A660 D685	E551-R644 IonicContact OE1-NH1 3.68Å; E551-R644 PolarHBondContact OE1-NH1 3.01Å; E551-R644 VanDerWaalsContact OE1-NH1 3.14Å; E588-R644 WeakPolarHBondContact OE1-CG 3.33Å; L597-R644 HydrophobicContact CD1-CB 4.35Å; L597-R644 HydrophobicContact CD2-CB 3.96Å; A640-R644 WeakPolarHBondContact O-CB 3.37Å; A640-R644 PolarHBondContact O-N 2.91Å; R642-R644 PolarHBondContact O-N 2.84Å; R644-H654 PolarHBondContact O-ND1 3.09Å; R644-S655 PolarHBondContact NH2-O 2.79Å; R644-S658 PolarHBondContact NH2-O 2.79Å; R644-A660 VanDerWaalsContact CZ-CB 3.47Å; R644-D685 IonicContact CZ-OD2 2.68Å; R644-D685 IonicContact NH1-OD2 3.7Å; R644-D685 PolarHBondContact NH1-OD2 2.85Å; R644-D685 IonicContact NH2-OD2 2.75Å; R644-D685 PolarHBondContact NH2-OD2 3.02Å
645	I	74.8	Confident	70	Confident	108 Å²	108	76.5 Å²	76.5	55%	0.554	39%	0.389	S	S	*	.	H	α-helix	trans	-90.1	-47.9	174.1	-65.1	164.1	0	0	0	111	R641 R642 N643 F647 G648	R641-I645 HydrophobicContact CG-CD1 4.14Å; R641-I645 WeakPolarHBondContact O-CD1 3.45Å; R641-I645 VanDerWaalsContact O-CG1 3.3Å; R641-I645 WeakPolarHBondContact O-CG1 3.49Å; R641-I645 PolarHBondContact O-N 3Å; R642-I645 CarbonylContact O-C 3.59Å; R642-I645 WeakPolarHBondContact O-CA 3.46Å; R642-I645 WeakPolarHBondContact O-CB 3.36Å; R642-I645 PolarHBondContact O-N 3.41Å; N643-I645 PolarHBondContact O-N 2.98Å; N643-I645 VanDerWaalsContact O-N 3.15Å; I645-F647 VanDerWaalsContact C-N 3.35Å; I645-F647 PolarHBondContact O-N 3.33Å; I645-G648 WeakPolarHBondContact O-CA 3.43Å; I645-G648 PolarHBondContact O-N 2.96Å
646	T	63.1	Low	69.3	Low	100 Å²	100	70.4 Å²	70.4	61%	0.613	36%	0.364	S	S	*	.	H	α-helix	trans	-68.9	-27	-173	-58.8	0	0	0	0	113.7	R642 N643 G648	R642-T646 PolarHBondContact O-N 2.75Å; R642-T646 PolarHBondContact O-OG1 2.88Å; R642-T646 VanDerWaalsContact O-OG1 3.09Å; N643-T646 PolarHBondContact O-N 3.35Å; T646-G648 PolarHBondContact O-N 3.34Å
647	F	58.3	Low	68.8	Low	66 Å²	66	72.9 Å²	72.9	29%	0.289	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-7.8	169.9	-68.9	-54.9	0	0	0	113.8	N643 I645	N643-F647 HydrophobicContact CB-CD2 4.32Å; N643-F647 HydrophobicContact CB-CE2 4.12Å; N643-F647 VanDerWaalsContact O-CD2 3.24Å; N643-F647 WeakPolarHBondContact O-CD2 3.44Å; N643-F647 PolarHBondContact O-N 3.3Å; I645-F647 VanDerWaalsContact C-N 3.35Å; I645-F647 PolarHBondContact O-N 3.33Å
648	G	52.7	Low	68.8	Low	23 Å²	23	71.4 Å²	71.4	24%	0.237	37%	0.365	C	S	.	.	S	Bend	trans	-83.1	131.2	172.4	0	0	0	0	0	112	I645 T646	I645-G648 WeakPolarHBondContact O-CA 3.43Å; I645-G648 PolarHBondContact O-N 2.96Å; T646-G648 PolarHBondContact O-N 3.34Å
649	T	43.3	Very low	69	Low	102 Å²	102	69.2 Å²	69.2	63%	0.626	35%	0.347	S	S	*	.			trans	-69.9	153.2	171.5	52.1	0	0	0	0	111.3	M651 N652	T649-M651 PolarHBondContact O-N 3.07Å; T649-N652 PolarHBondContact O-N 2.81Å
650	Q	36.6	Very low	69.1	Low	210 Å²	210	67.4 Å²	67.4	98%	0.981	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-2.8	-171.5	-74.3	-179.8	-26.3	0	0	117
651	M	36.1	Very low	69.4	Low	157 Å²	157	67 Å²	67	77%	0.773	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	-3.8	-178.5	-73.4	-169.5	173.1	0	0	115.5	T649	T649-M651 PolarHBondContact O-N 3.07Å
652	N	43.4	Very low	69.8	Low	35 Å²	35	61.6 Å²	61.6	19%	0.187	31%	0.313	C	S	.	.			trans	-119.3	132.9	-172.3	-78.6	-18.1	0	0	0	113.1	T649 H654 R657	T649-N652 PolarHBondContact O-N 2.81Å; N652-H654 PolarHBondContact O-N 2.95Å; N652-R657 VanDerWaalsContact CG-NH1 3.29Å; N652-R657 PolarHBondContact ND2-NH1 3.41Å; N652-R657 PolarHBondContact OD1-NH1 3.32Å; N652-R657 PolarHBondContact OD1-NH2 3.21Å
653	Q	57	Low	70.3	Confident	149 Å²	149	55.5 Å²	55.5	70%	0.696	29%	0.292	S	S	*	.			trans	-70.9	78.1	162	-71.1	-174.6	-3.7	0	0	109.9	S655 S656	Q653-S655 VanDerWaalsContact C-N 3.29Å; Q653-S655 PolarHBondContact O-N 3.42Å; Q653-S655 VanDerWaalsContact O-N 3.1Å; Q653-S656 WeakPolarHBondContact O-CB 3.19Å; Q653-S656 PolarHBondContact O-N 3.2Å; Q653-S656 PolarHBondContact O-OG 2.78Å
654	H	61.6	Low	70.7	Confident	16 Å²	16	54.4 Å²	54.4	7%	0.074	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-54.7	-36.4	-163.2	-165.5	-129.5	0	0	0	114.8	E588 Y590 R644 N652 S656 R657 S658	E588-H654 IonicContact OE1-CE1 3.14Å; E588-H654 PolarHBondContact OE1-CE1 2.88Å; E588-H654 IonicContact OE1-ND1 3.16Å; E588-H654 PolarHBondContact OE1-ND1 3.18Å; E588-H654 IonicContact OE2-CE1 2.7Å; E588-H654 PolarHBondContact OE2-CE1 3.29Å; Y590-H654 AromaticContact CD2-NE2 3.85Å; R644-H654 PolarHBondContact O-ND1 3.09Å; N652-H654 PolarHBondContact O-N 2.95Å; H654-S656 PolarHBondContact O-N 2.88Å; H654-S656 VanDerWaalsContact O-N 3.12Å; H654-R657 PolarHBondContact O-N 3.3Å; H654-S658 PolarHBondContact O-N 2.64Å
655	S	66.6	Low	71.2	Confident	51 Å²	51	55.5 Å²	55.5	36%	0.357	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-63.6	-15.6	178.3	55.2	0	0	0	0	115.3	R644 Q653 R657	R644-S655 PolarHBondContact NH2-O 2.79Å; Q653-S655 VanDerWaalsContact C-N 3.29Å; Q653-S655 PolarHBondContact O-N 3.42Å; Q653-S655 VanDerWaalsContact O-N 3.1Å; S655-R657 VanDerWaalsContact C-N 3.32Å
656	S	74.5	Confident	72.2	Confident	15 Å²	15	50.4 Å²	50.4	11%	0.105	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-76.2	-20	170.1	62.3	0	0	0	0	113.3	T542 Q653 H654 G688	T542-S656 VanDerWaalsContact OG1-CB 3.25Å; T542-S656 WeakPolarHBondContact OG1-CB 3.35Å; Q653-S656 WeakPolarHBondContact O-CB 3.19Å; Q653-S656 PolarHBondContact O-N 3.2Å; Q653-S656 PolarHBondContact O-OG 2.78Å; H654-S656 PolarHBondContact O-N 2.88Å; H654-S656 VanDerWaalsContact O-N 3.12Å; S656-G688 PolarHBondContact O-N 2.82Å
657	R	80.4	Confident	73.7	Confident	64 Å²	64	50.1 Å²	50.1	24%	0.242	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-2.9	-167	-65	-160.7	-166.7	151.2	17.7	114.9	Y590 N652 H654 S655 E704 I708	Y590-R657 WeakPolarHBondContact CD2-O 3.18Å; Y590-R657 HydrophobicContact CE2-CB 4.24Å; N652-R657 VanDerWaalsContact CG-NH1 3.29Å; N652-R657 PolarHBondContact ND2-NH1 3.41Å; N652-R657 PolarHBondContact OD1-NH1 3.32Å; N652-R657 PolarHBondContact OD1-NH2 3.21Å; H654-R657 PolarHBondContact O-N 3.3Å; S655-R657 VanDerWaalsContact C-N 3.32Å; R657-E704 VanDerWaalsContact CD-CD 3.44Å; R657-E704 WeakPolarHBondContact CD-OE1 3.21Å; R657-E704 IonicContact CZ-OE2 3.36Å; R657-E704 IonicContact NH1-OE1 3.56Å; R657-E704 PolarHBondContact NH1-OE1 2.77Å; R657-E704 IonicContact NH1-OE2 2.68Å; R657-E704 PolarHBondContact NH1-OE2 3.09Å; R657-I708 HydrophobicContact CB-CD1 3.58Å; R657-I708 HydrophobicContact CG-CD1 3.81Å; R657-I708 WeakPolarHBondContact O-CD1 3.4Å; R657-I708 WeakPolarHBondContact O-CG1 3.49Å
658	S	88.2	Confident	75.4	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.247	C	C	.	.			trans	-127.4	143.8	174.8	72.2	0	0	0	0	111.9	E588 R644 H654	E588-S658 WeakPolarHBondContact OE1-CB 3.44Å; E588-S658 PolarHBondContact OE1-OG 2.89Å; R644-S658 PolarHBondContact NH2-O 2.79Å; H654-S658 PolarHBondContact O-N 2.64Å
659	H	92.5	Very high	77.4	Confident	4 Å²	4	48.2 Å²	48.2	2%	0.019	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	125.6	168.2	-47.2	-83	0	0	0	108.5	E588 I589 L661 D685 L686 A687 S711 L736	E588-H659 CarbonylContact C-O 3.59Å; E588-H659 WeakPolarHBondContact CA-O 3.43Å; I589-H659 HydrophobicContact CB-CB 4.33Å; I589-H659 PolarHBondContact N-O 3.16Å; I589-H659 PolarHBondContact O-N 2.94Å; H659-L661 HydrophobicContact CB-CD1 4.47Å; H659-D685 WeakPolarHBondContact CA-O 3.26Å; H659-L686 HydrophobicContact CB-CD2 4.42Å; H659-L686 WeakPolarHBondContact ND1-CA 3.37Å; H659-L686 WeakPolarHBondContact ND1-CD2 3.36Å; H659-A687 PolarHBondContact ND1-N 3.36Å; H659-S711 PolarHBondContact CE1-OG 3.03Å; H659-S711 PolarHBondContact NE2-OG 2.84Å; H659-L736 HydrophobicContact CB-CD1 4.32Å
660	A	93	Very high	79.7	Confident	11 Å²	11	45 Å²	45	9%	0.091	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	128	171.9	0	0	0	0	0	110.1	L597 R644 V684 D685	L597-A660 HydrophobicContact CD1-CB 4.43Å; R644-A660 VanDerWaalsContact CZ-CB 3.47Å; A660-V684 WeakPolarHBondContact O-CA 3.48Å; A660-D685 PolarHBondContact N-O 3.39Å; A660-D685 PolarHBondContact O-N 3.28Å
661	L	94.5	Very high	82.2	Confident	1 Å²	1	40 Å²	40	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	133.3	173.1	-63.8	90.4	0	0	0	109.1	S586 V587 I589 H659 V684 L739 L740	S586-L661 CarbonylContact C-O 3.58Å; S586-L661 VanDerWaalsContact CA-O 3.24Å; S586-L661 WeakPolarHBondContact CA-O 3.48Å; S586-L661 PolarHBondContact OG-O 2.93Å; V587-L661 HydrophobicContact CB-CB 4.45Å; V587-L661 PolarHBondContact N-O 3.16Å; V587-L661 PolarHBondContact O-N 3.44Å; I589-L661 HydrophobicContact CD1-CD1 3.9Å; I589-L661 HydrophobicContact CG1-CD1 4.03Å; H659-L661 HydrophobicContact CB-CD1 4.47Å; L661-V684 HydrophobicContact CD2-CG2 3.91Å; L661-V684 HydrophobicContact CG-CB 4.49Å; L661-V684 HydrophobicContact CG-CG1 4.04Å; L661-V684 HydrophobicContact CG-CG2 3.89Å; L661-L739 HydrophobicContact CD1-CD2 4.33Å; L661-L739 HydrophobicContact CD2-CD2 3.85Å; L661-L739 HydrophobicContact CD2-CG 4.28Å; L661-L740 HydrophobicContact CD2-CD2 3.87Å; L661-L740 HydrophobicContact CD2-CG 4.46Å
662	L	94.9	Very high	84.4	Confident	8 Å²	8	35.8 Å²	35.8	4%	0.042	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	115.8	165.6	-177.2	71.6	0	0	0	107.3	N560 L564 V584 L637 I664 L683	N560-L662 HydrophobicContact CB-CD2 4.22Å; L564-L662 HydrophobicContact CD1-CD2 3.97Å; V584-L662 HydrophobicContact CG1-CD1 3.64Å; V584-L662 HydrophobicContact CG1-CG 4.47Å; L637-L662 HydrophobicContact CD2-CD1 3.95Å; L637-L662 HydrophobicContact CD2-CD2 3.58Å; L637-L662 HydrophobicContact CD2-CG 4.43Å; L662-I664 HydrophobicContact CD2-CD1 4.13Å; L662-I664 HydrophobicContact CG-CD1 3.94Å; L662-L683 HydrophobicContact CB-CB 4.38Å; L662-L683 HydrophobicContact CD2-CD1 4.45Å; L662-L683 PolarHBondContact N-O 3.23Å; L662-L683 PolarHBondContact O-N 2.87Å
663	C	94.6	Very high	86.3	Confident	11 Å²	11	37.1 Å²	37.1	7%	0.074	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	116.3	-176.5	-64.6	0	0	0	0	109	V584 S585 N682	V584-C663 WeakPolarHBondContact CA-O 3.36Å; S585-C663 PolarHBondContact N-O 2.81Å; S585-C663 PolarHBondContact O-N 2.94Å; C663-N682 PolarHBondContact SG-OD1 2.68Å
664	I	94.9	Very high	87.8	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.6	175.4	-52.2	76.3	0	0	0	107.3	L564 L567 V582 T583 V584 L662 V666 K680 M681 L683	L564-I664 HydrophobicContact CD1-CG1 4.45Å; L564-I664 HydrophobicContact CD2-CG1 3.7Å; L564-I664 HydrophobicContact CD2-CG2 4.18Å; L564-I664 HydrophobicContact CG-CG1 4.42Å; L567-I664 HydrophobicContact CD2-CG2 4.47Å; V582-I664 HydrophobicContact CG1-CG2 3.94Å; T583-I664 WeakPolarHBondContact O-CA 3.49Å; V584-I664 HydrophobicContact CG2-CG1 4.49Å; V584-I664 HydrophobicContact CG2-CG2 4.48Å; L662-I664 HydrophobicContact CD2-CD1 4.13Å; L662-I664 HydrophobicContact CG-CD1 3.94Å; I664-V666 HydrophobicContact CG2-CG2 4.07Å; I664-K680 CarbonylContact O-C 3.58Å; I664-K680 WeakPolarHBondContact O-CA 3.35Å; I664-M681 HydrophobicContact CB-CB 4.36Å; I664-M681 HydrophobicContact CB-CE 4.31Å; I664-M681 HydrophobicContact CD1-CE 4.03Å; I664-M681 HydrophobicContact CD1-CG 4.48Å; I664-M681 WeakPolarHBondContact CD1-O 3.34Å; I664-M681 HydrophobicContact CG1-CE 4.08Å; I664-M681 PolarHBondContact N-O 3.36Å; I664-M681 PolarHBondContact O-N 3.04Å; I664-L683 HydrophobicContact CD1-CD1 4Å; I664-L683 HydrophobicContact CD1-CG 3.99Å
665	T	94.3	Very high	89	Confident	34 Å²	34	32.4 Å²	32.4	21%	0.209	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	131.2	171	-52	0	0	0	0	109.3	T583 T678 G679	T583-T665 PolarHBondContact N-O 3.39Å; T583-T665 PolarHBondContact O-N 3.45Å; T665-T678 HydrophobicContact CG2-CG2 3.99Å; T665-G679 WeakPolarHBondContact CA-O 3.43Å; T665-G679 WeakPolarHBondContact CG2-O 3.48Å
666	V	95.4	Very high	90.2	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	109.9	-173.4	-174.5	0	0	0	0	108.1	L567 Y580 I664 T678 G679	L567-V666 HydrophobicContact CD1-CG2 3.91Å; L567-V666 HydrophobicContact CD2-CG2 4.3Å; Y580-V666 HydrophobicContact CD1-CG1 3.96Å; Y580-V666 HydrophobicContact CE1-CG1 4.43Å; I664-V666 HydrophobicContact CG2-CG2 4.07Å; V666-T678 WeakPolarHBondContact O-CA 3.15Å; V666-G679 PolarHBondContact N-O 2.91Å; V666-G679 PolarHBondContact O-N 3.04Å
667	Q	95.1	Very high	91	Very high	95 Å²	95	34.5 Å²	34.5	44%	0.444	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	108.5	176.8	-70.6	178.2	-19.1	0	0	108.8	Y580 T581 T677 T678	Y580-Q667 CarbonylContact C-O 3.6Å; Y580-Q667 WeakPolarHBondContact CA-O 3.43Å; T581-Q667 PolarHBondContact N-O 3.12Å; T581-Q667 PolarHBondContact O-N 3.33Å; Q667-T677 CarbonylContact C-O 3.5Å; Q667-T677 WeakPolarHBondContact CA-O 3.27Å; Q667-T678 HydrophobicContact CG-CG2 4.27Å
668	G	94.6	Very high	91.6	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	139.4	176.8	0	0	0	0	0	111.4	S579 Y580 K676 T677	S579-G668 CarbonylContact O-C 3.53Å; S579-G668 WeakPolarHBondContact O-CA 3.3Å; Y580-G668 VanDerWaalsContact CD1-CA 3.45Å; G668-K676 CarbonylContact O-C 3.6Å; G668-K676 WeakPolarHBondContact O-CA 3.09Å; G668-T677 PolarHBondContact N-O 2.76Å; G668-T677 PolarHBondContact O-N 3.1Å; G668-T677 PolarHBondContact O-OG1 3.39Å
669	T	94.8	Very high	91.8	Very high	47 Å²	47	32.9 Å²	32.9	29%	0.288	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	121.5	170.3	-53.2	0	0	0	0	109.1	W578 S579 L671 S675 K676	W578-T669 WeakPolarHBondContact CA-O 3.21Å; S579-T669 PolarHBondContact N-O 3.39Å; S579-T669 PolarHBondContact O-N 2.97Å; T669-L671 PolarHBondContact O-N 3.02Å; T669-S675 WeakPolarHBondContact CA-O 3.47Å; T669-K676 HydrophobicContact CG2-CG 4.24Å
670	D	90	Very high	91.8	Very high	34 Å²	34	34.4 Å²	34.4	18%	0.182	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	119.9	174.1	178.1	-9.9	0	0	0	109.7	W578 A672 S673 G674 S675	W578-D670 HydrophobicContact CD2-CB 4.3Å; W578-D670 HydrophobicContact CE3-CB 4.27Å; W578-D670 HydrophobicContact CH2-CB 3.79Å; W578-D670 HydrophobicContact CZ2-CB 3.82Å; W578-D670 HydrophobicContact CZ3-CB 4.03Å; D670-A672 PolarHBondContact O-N 3.24Å; D670-A672 WeakPolarHBondContact OD1-CA 3.36Å; D670-A672 WeakPolarHBondContact OD1-CB 3.46Å; D670-A672 PolarHBondContact OD1-N 3.02Å; D670-S673 WeakPolarHBondContact CB-OG 3.39Å; D670-S673 PolarHBondContact OD1-N 2.58Å; D670-S673 WeakPolarHBondContact OD2-CB 3.12Å; D670-S673 PolarHBondContact OD2-OG 3.44Å; D670-G674 VanDerWaalsContact O-CA 3.28Å; D670-G674 WeakPolarHBondContact O-CA 3.4Å; D670-G674 PolarHBondContact O-N 2.92Å; D670-S675 PolarHBondContact N-O 2.88Å
671	L	88.9	Confident	91.9	Very high	107 Å²	107	33.9 Å²	33.9	56%	0.56	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-17.7	-178.2	-61.9	177.1	0	0	0	113.1	M577 T669	M577-L671 WeakPolarHBondContact O-CB 3.42Å; M577-L671 WeakPolarHBondContact O-CG 3.25Å; M577-L671 PolarHBondContact O-N 2.63Å; T669-L671 PolarHBondContact O-N 3.02Å
672	A	82.1	Confident	91.9	Very high	67 Å²	67	34 Å²	34	55%	0.554	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-28.8	179.7	0	0	0	0	0	113.4	D670	D670-A672 PolarHBondContact O-N 3.24Å; D670-A672 WeakPolarHBondContact OD1-CA 3.36Å; D670-A672 WeakPolarHBondContact OD1-CB 3.46Å; D670-A672 PolarHBondContact OD1-N 3.02Å
673	S	84.9	Confident	92	Very high	64 Å²	64	33.7 Å²	33.7	45%	0.448	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116	-11.8	-179.1	73.6	0	0	0	0	115.3	D670 S675	D670-S673 WeakPolarHBondContact CB-OG 3.39Å; D670-S673 PolarHBondContact OD1-N 2.58Å; D670-S673 WeakPolarHBondContact OD2-CB 3.12Å; D670-S673 PolarHBondContact OD2-OG 3.44Å; S673-S675 PolarHBondContact O-N 3.29Å; S673-S675 VanDerWaalsContact OG-CB 3.29Å; S673-S675 WeakPolarHBondContact OG-CB 3.42Å; S673-S675 PolarHBondContact OG-N 3.13Å; S673-S675 PolarHBondContact OG-OG 3.05Å
674	G	87.3	Confident	92.1	Very high	34 Å²	34	33.2 Å²	33.2	35%	0.351	20%	0.196	S	C	.	.			trans	68.9	2	-171.9	0	0	0	0	0	114.5	D670 K676	D670-G674 VanDerWaalsContact O-CA 3.28Å; D670-G674 WeakPolarHBondContact O-CA 3.4Å; D670-G674 PolarHBondContact O-N 2.92Å; G674-K676 PolarHBondContact O-N 3.05Å
675	S	87.4	Confident	92.1	Very high	32 Å²	32	33.3 Å²	33.3	22%	0.224	20%	0.197	C	C	.	.			trans	-65	131.5	179.3	-57.6	0	0	0	0	110.9	T669 D670 S673	T669-S675 WeakPolarHBondContact CA-O 3.47Å; D670-S675 PolarHBondContact N-O 2.88Å; S673-S675 PolarHBondContact O-N 3.29Å; S673-S675 VanDerWaalsContact OG-CB 3.29Å; S673-S675 WeakPolarHBondContact OG-CB 3.42Å; S673-S675 PolarHBondContact OG-N 3.13Å; S673-S675 PolarHBondContact OG-OG 3.05Å
676	K	91.5	Very high	92.1	Very high	107 Å²	107	31.8 Å²	31.8	47%	0.465	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	147.1	176.9	-65.5	178.8	-178.1	176.5	0	111.2	G668 T669 G674 I788 E789	G668-K676 CarbonylContact O-C 3.6Å; G668-K676 WeakPolarHBondContact O-CA 3.09Å; T669-K676 HydrophobicContact CG2-CG 4.24Å; G674-K676 PolarHBondContact O-N 3.05Å; K676-I788 CarbonylContact O-C 3.58Å; K676-I788 WeakPolarHBondContact O-CA 3.35Å; K676-E789 HydrophobicContact CB-CB 4.2Å; K676-E789 PolarHBondContact N-O 3.34Å; K676-E789 PolarHBondContact O-N 3.27Å
677	T	91.5	Very high	91.9	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	139.7	177.3	58.2	0	0	0	0	111.5	W578 Q667 G668 K787 I788	W578-T677 HydrophobicContact CH2-CG2 4.15Å; W578-T677 HydrophobicContact CZ3-CG2 4.18Å; Q667-T677 CarbonylContact C-O 3.5Å; Q667-T677 WeakPolarHBondContact CA-O 3.27Å; G668-T677 PolarHBondContact N-O 2.76Å; G668-T677 PolarHBondContact O-N 3.1Å; G668-T677 PolarHBondContact O-OG1 3.39Å; T677-K787 VanDerWaalsContact CA-O 3.28Å; T677-K787 WeakPolarHBondContact CA-O 3.13Å; T677-I788 HydrophobicContact CG2-CG1 4.33Å; T677-I788 HydrophobicContact CG2-CG2 4.48Å
678	T	92	Very high	91.6	Very high	30 Å²	30	27.3 Å²	27.3	18%	0.184	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	101.4	-176.8	-61.4	0	0	0	0	111.3	H533 T665 V666 Q667 K787	H533-T678 PolarHBondContact CE1-O 2.93Å; T665-T678 HydrophobicContact CG2-CG2 3.99Å; V666-T678 WeakPolarHBondContact O-CA 3.15Å; Q667-T678 HydrophobicContact CG-CG2 4.27Å; T678-K787 PolarHBondContact N-O 2.83Å
679	G	92.6	Very high	91.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	152.2	169	0	0	0	0	0	112.4	C528 Y532 T665 V666	C528-G679 WeakPolarHBondContact O-CA 3.38Å; Y532-G679 VanDerWaalsContact O-CA 3.23Å; Y532-G679 WeakPolarHBondContact O-CA 3.45Å; T665-G679 WeakPolarHBondContact CA-O 3.43Å; T665-G679 WeakPolarHBondContact CG2-O 3.48Å; V666-G679 PolarHBondContact N-O 2.91Å; V666-G679 PolarHBondContact O-N 3.04Å
680	K	92.8	Very high	90.7	Very high	37 Å²	37	27.9 Å²	27.9	16%	0.161	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	116.6	177.2	-173	179.4	-179.2	-178.8	0	108.6	Y532 H533 V534 I664	Y532-K680 PolarHBondContact O-N 3.36Å; H533-K680 CarbonylContact C-O 3.5Å; H533-K680 WeakPolarHBondContact CA-O 3.35Å; H533-K680 PolarHBondContact ND1-N 3.44Å; V534-K680 PolarHBondContact N-O 3.29Å; I664-K680 CarbonylContact O-C 3.58Å; I664-K680 WeakPolarHBondContact O-CA 3.35Å
681	M	95.1	Very high	90.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	115.2	179.2	176.6	171	64	0	0	109.6	V525 C528 V534 I536 A563 I664 L683	V525-M681 HydrophobicContact CG1-CE 4.42Å; V525-M681 HydrophobicContact CG2-SD 4.17Å; C528-M681 HydrophobicContact CB-CB 4.17Å; V534-M681 HydrophobicContact CB-CB 4.27Å; V534-M681 HydrophobicContact CB-CG 4.33Å; V534-M681 HydrophobicContact CG1-CG 4.13Å; V534-M681 CarbonylContact O-C 3.57Å; V534-M681 WeakPolarHBondContact O-CA 3.46Å; I536-M681 HydrophobicContact CD1-SD 4.39Å; A563-M681 HydrophobicContact CB-CE 4.09Å; A563-M681 HydrophobicContact CB-SD 4.38Å; I664-M681 HydrophobicContact CB-CB 4.36Å; I664-M681 HydrophobicContact CB-CE 4.31Å; I664-M681 HydrophobicContact CD1-CE 4.03Å; I664-M681 HydrophobicContact CD1-CG 4.48Å; I664-M681 WeakPolarHBondContact CD1-O 3.34Å; I664-M681 HydrophobicContact CG1-CE 4.08Å; I664-M681 PolarHBondContact N-O 3.36Å; I664-M681 PolarHBondContact O-N 3.04Å; M681-L683 HydrophobicContact CE-CD1 4.38Å; M681-L683 HydrophobicContact CG-CD2 3.67Å; M681-L683 HydrophobicContact CG-CG 4.08Å; M681-L683 HydrophobicContact SD-CD2 3.93Å; M681-L683 HydrophobicContact SD-CG 4.48Å
682	N	95.4	Very high	89.6	Confident	4 Å²	4	28.8 Å²	28.8	2%	0.021	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	117.1	174.6	-69.4	-29.1	0	0	0	109.2	V534 C535 I536 C663 V684 S743	V534-N682 PolarHBondContact O-N 3.43Å; C535-N682 WeakPolarHBondContact CA-O 3.25Å; I536-N682 PolarHBondContact N-O 3.27Å; C663-N682 PolarHBondContact SG-OD1 2.68Å; N682-V684 HydrophobicContact CB-CG2 4.45Å; N682-S743 PolarHBondContact ND2-OG 2.95Å
683	L	96.4	Very high	89.1	Confident	1 Å²	1	35 Å²	35	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	119.1	174.7	-52.8	-177.3	0	0	0	108.6	I536 M550 I559 N560 A563 L662 I664 M681	I536-L683 HydrophobicContact CB-CD2 3.8Å; I536-L683 HydrophobicContact CD1-CD2 3.52Å; I536-L683 HydrophobicContact CG1-CD2 4.23Å; I536-L683 WeakPolarHBondContact O-CA 3.39Å; M550-L683 HydrophobicContact CE-CB 3.96Å; I559-L683 HydrophobicContact CG2-CD2 4.41Å; N560-L683 HydrophobicContact CB-CD1 4.42Å; N560-L683 WeakPolarHBondContact OD1-CB 3.47Å; A563-L683 HydrophobicContact CB-CD1 4.18Å; L662-L683 HydrophobicContact CB-CB 4.38Å; L662-L683 HydrophobicContact CD2-CD1 4.45Å; L662-L683 PolarHBondContact N-O 3.23Å; L662-L683 PolarHBondContact O-N 2.87Å; I664-L683 HydrophobicContact CD1-CD1 4Å; I664-L683 HydrophobicContact CD1-CG 3.99Å; M681-L683 HydrophobicContact CE-CD1 4.38Å; M681-L683 HydrophobicContact CG-CD2 3.67Å; M681-L683 HydrophobicContact CG-CG 4.08Å; M681-L683 HydrophobicContact SD-CD2 3.93Å; M681-L683 HydrophobicContact SD-CG 4.48Å
684	V	96.1	Very high	88.2	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	124.3	-165.7	-173.4	0	0	0	0	112.5	I536 F537 A538 A660 L661 N682 L686 L740	I536-V684 PolarHBondContact O-N 3.04Å; F537-V684 WeakPolarHBondContact CA-O 3.26Å; F537-V684 HydrophobicContact CB-CB 3.73Å; F537-V684 HydrophobicContact CB-CG1 4.33Å; F537-V684 HydrophobicContact CB-CG2 4.39Å; A538-V684 PolarHBondContact N-O 3.27Å; A660-V684 WeakPolarHBondContact O-CA 3.48Å; L661-V684 HydrophobicContact CD2-CG2 3.91Å; L661-V684 HydrophobicContact CG-CB 4.49Å; L661-V684 HydrophobicContact CG-CG1 4.04Å; L661-V684 HydrophobicContact CG-CG2 3.89Å; N682-V684 HydrophobicContact CB-CG2 4.45Å; V684-L686 HydrophobicContact CG1-CD2 3.54Å; V684-L686 HydrophobicContact CG1-CG 4.04Å; V684-L740 HydrophobicContact CG2-CD2 4.28Å
685	D	95.2	Very high	87.3	Confident	3 Å²	3	38.2 Å²	38.2	2%	0.016	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	99.6	167.1	-174.3	47.1	0	0	0	107.8	K546 T547 M550 R644 H659 A660	K546-D685 VanDerWaalsContact C-OD1 3.24Å; K546-D685 VanDerWaalsContact CB-OD1 3.28Å; K546-D685 WeakPolarHBondContact CB-OD1 3.47Å; T547-D685 WeakPolarHBondContact CA-OD1 3.48Å; T547-D685 WeakPolarHBondContact CB-OD2 3.32Å; T547-D685 WeakPolarHBondContact CG2-OD2 3.43Å; T547-D685 PolarHBondContact N-OD1 2.81Å; T547-D685 PolarHBondContact OG1-OD1 2.86Å; T547-D685 PolarHBondContact OG1-OD2 3.17Å; M550-D685 HydrophobicContact CB-CB 4.28Å; M550-D685 HydrophobicContact CG-CB 4.18Å; R644-D685 IonicContact CZ-OD2 2.68Å; R644-D685 IonicContact NH1-OD2 3.7Å; R644-D685 PolarHBondContact NH1-OD2 2.85Å; R644-D685 IonicContact NH2-OD2 2.75Å; R644-D685 PolarHBondContact NH2-OD2 3.02Å; H659-D685 WeakPolarHBondContact CA-O 3.26Å; A660-D685 PolarHBondContact N-O 3.39Å; A660-D685 PolarHBondContact O-N 3.28Å
686	L	94.1	Very high	86.3	Confident	1 Å²	1	40 Å²	40	1%	0.005	20%	0.201	C	C	.	.			trans	-71.9	162.3	-179.4	-61.9	175.4	0	0	0	111.5	F537 A538 Y539 K546 H659 V684 L712 L715 L736	F537-L686 HydrophobicContact CD2-CD1 3.72Å; F537-L686 HydrophobicContact CE2-CD1 4.32Å; A538-L686 VanDerWaalsContact O-CB 3.31Å; A538-L686 WeakPolarHBondContact O-CB 3.41Å; A538-L686 WeakPolarHBondContact O-CG 3.47Å; A538-L686 PolarHBondContact O-N 3.18Å; Y539-L686 HydrophobicContact CD2-CD1 3.9Å; K546-L686 WeakPolarHBondContact CE-O 3.45Å; H659-L686 HydrophobicContact CB-CD2 4.42Å; H659-L686 WeakPolarHBondContact ND1-CA 3.37Å; H659-L686 WeakPolarHBondContact ND1-CD2 3.36Å; V684-L686 HydrophobicContact CG1-CD2 3.54Å; V684-L686 HydrophobicContact CG1-CG 4.04Å; L686-L712 HydrophobicContact CB-CD2 4.48Å; L686-L712 HydrophobicContact CD1-CD2 4.19Å; L686-L715 HydrophobicContact CD1-CD2 4.13Å; L686-L736 HydrophobicContact CD2-CD1 3.85Å; L686-L736 HydrophobicContact CD2-CD2 3.79Å; L686-L736 HydrophobicContact CD2-CG 4.44Å
687	A	91.3	Very high	85.3	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.008	19%	0.187	C	C	.	.			trans	-66	174.3	169.8	0	0	0	0	0	112.8	K546 H659 I708	K546-A687 VanDerWaalsContact CE-O 3.27Å; K546-A687 WeakPolarHBondContact CE-O 3.47Å; K546-A687 PolarHBondContact NZ-O 2.71Å; H659-A687 PolarHBondContact ND1-N 3.36Å; A687-I708 HydrophobicContact CB-CG2 3.66Å
688	G	89.4	Confident	84.5	Confident	2 Å²	2	43.5 Å²	43.5	2%	0.021	22%	0.222	C	C	.	.			trans	-60	132.7	172	0	0	0	0	0	113	S656 E690 L712	S656-G688 PolarHBondContact O-N 2.82Å; G688-E690 VanDerWaalsContact C-OE2 3.25Å; G688-E690 WeakPolarHBondContact CA-OE2 3.34Å; G688-L712 WeakPolarHBondContact O-CD1 3.32Å
689	S	88.6	Confident	84.1	Confident	10 Å²	10	44.7 Å²	44.7	7%	0.07	24%	0.241	C	C	.	.			trans	-92	7.9	175.7	75.3	0	0	0	0	114.4	Y539 G540 Q541	Y539-S689 VanDerWaalsContact CZ-CB 3.49Å; Y539-S689 WeakPolarHBondContact OH-CB 3.12Å; G540-S689 PolarHBondContact O-N 2.81Å; G540-S689 VanDerWaalsContact O-N 3.14Å; G540-S689 PolarHBondContact O-OG 3.22Å; Q541-S689 PolarHBondContact N-OG 3.08Å
690	E	83.1	Confident	83.2	Confident	49 Å²	49	52.2 Å²	52.2	23%	0.229	28%	0.276	C	S	.	.			trans	-69.6	148.4	179	59	-84.1	-167.9	0	0	113.1	Q541 T542 G688 N709 E765	Q541-E690 WeakPolarHBondContact CA-OE2 3.4Å; Q541-E690 HydrophobicContact CB-CB 4.46Å; T542-E690 WeakPolarHBondContact CB-OE1 3.37Å; T542-E690 PolarHBondContact N-OE2 2.97Å; T542-E690 PolarHBondContact OG1-OE1 2.94Å; T542-E690 PolarHBondContact OG1-OE2 3.29Å; G688-E690 VanDerWaalsContact C-OE2 3.25Å; G688-E690 WeakPolarHBondContact CA-OE2 3.34Å; E690-N709 PolarHBondContact O-ND2 3.43Å; E690-N709 VanDerWaalsContact O-ND2 3.11Å; E690-E765 HydrophobicContact CB-CG 4.47Å
691	R	79.6	Confident	82.3	Confident	130 Å²	130	56.1 Å²	56.1	49%	0.491	29%	0.29	S	S	.	.			trans	-74.4	134.7	-176.2	-59.6	178.4	-174.9	-144.8	0.9	111.4	W693 K694 E765 C768	R691-W693 PolarHBondContact O-N 3.27Å; R691-K694 WeakPolarHBondContact O-CB 3.46Å; R691-K694 PolarHBondContact O-N 3.4Å; R691-E765 PolarHBondContact N-OE1 2.98Å; R691-C768 PolarHBondContact NH2-SG 3.27Å
692	V	74.9	Confident	81.5	Confident	31 Å²	31	59.1 Å²	59.1	19%	0.188	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-46.8	-42.2	-178.2	-175.4	0	0	0	0	113.6	K694 S695 L702 A705 N709	V692-K694 VanDerWaalsContact C-N 3.26Å; V692-K694 PolarHBondContact O-N 3.28Å; V692-S695 WeakPolarHBondContact O-CB 3.45Å; V692-S695 PolarHBondContact O-N 2.96Å; V692-S695 PolarHBondContact O-OG 3.46Å; V692-L702 HydrophobicContact CG1-CD1 3.56Å; V692-A705 HydrophobicContact CB-CB 4.44Å; V692-A705 HydrophobicContact CG1-CB 3.8Å; V692-A705 HydrophobicContact CG2-CB 4.05Å; V692-N709 HydrophobicContact CG2-CB 4.31Å; V692-N709 WeakPolarHBondContact CG2-ND2 3.32Å
693	W	71.2	Confident	80.8	Confident	197 Å²	197	64.9 Å²	64.9	75%	0.746	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-63.3	-25.9	-179.8	70.8	-96.2	0	0	0	114.2	R691 S695	R691-W693 PolarHBondContact O-N 3.27Å; W693-S695 PolarHBondContact O-N 2.81Å
694	K	67.4	Low	79.9	Confident	102 Å²	102	65.5 Å²	65.5	44%	0.443	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-75.6	-12.6	175.9	-159.1	-173.5	179.8	-171.8	0	112.1	R691 V692 S761	R691-K694 WeakPolarHBondContact O-CB 3.46Å; R691-K694 PolarHBondContact O-N 3.4Å; V692-K694 VanDerWaalsContact C-N 3.26Å; V692-K694 PolarHBondContact O-N 3.28Å; K694-S761 PolarHBondContact NZ-O 2.93Å; K694-S761 VanDerWaalsContact NZ-O 3.09Å
695	S	67	Low	79.1	Confident	64 Å²	64	66.1 Å²	66.1	45%	0.448	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-92	-10.9	-175.5	73.6	0	0	0	0	115.4	V692 W693 A697	V692-S695 WeakPolarHBondContact O-CB 3.45Å; V692-S695 PolarHBondContact O-N 2.96Å; V692-S695 PolarHBondContact O-OG 3.46Å; W693-S695 PolarHBondContact O-N 2.81Å; S695-A697 PolarHBondContact O-N 2.75Å; S695-A697 WeakPolarHBondContact OG-CB 3.34Å
696	G	67.5	Low	78.4	Confident	68 Å²	68	70.9 Å²	70.9	70%	0.701	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	21.5	-176.1	0	0	0	0	0	114.5
697	A	70	Confident	77.9	Confident	21 Å²	21	73.2 Å²	73.2	17%	0.174	37%	0.373	C	S	.	.			trans	-80.3	126.3	-172.6	0	0	0	0	0	112.8	S695 R701 L702	S695-A697 PolarHBondContact O-N 2.75Å; S695-A697 WeakPolarHBondContact OG-CB 3.34Å; A697-R701 HydrophobicContact CB-CB 3.93Å; A697-L702 WeakPolarHBondContact O-CB 3.15Å
698	E	75.6	Confident	77.4	Confident	162 Å²	162	73.8 Å²	73.8	76%	0.757	38%	0.376	S	S	*	.			trans	-114.6	169.2	176.7	-62.7	-172.9	164.3	0	0	112.2	E700 R701 L702	E698-E700 PolarHBondContact O-N 3.12Å; E698-R701 WeakPolarHBondContact O-CB 3.5Å; E698-R701 PolarHBondContact O-N 3.35Å; E698-L702 PolarHBondContact O-N 2.93Å
699	G	82.3	Confident	77.1	Confident	55 Å²	55	75.8 Å²	75.8	57%	0.567	39%	0.386	S	S	*	.	H	α-helix	trans	56.7	-124.2	171.9	0	0	0	0	0	113.9	L702	G699-L702 WeakPolarHBondContact O-CB 3.47Å; G699-L702 PolarHBondContact O-N 3.08Å
700	E	74.4	Confident	77.2	Confident	159 Å²	159	81.2 Å²	81.2	74%	0.743	41%	0.405	S	S	*	.	H	α-helix	trans	-72	-30.4	177.6	-60.6	-147.9	120	0	0	113.3	E698 L702 K703 E704	E698-E700 PolarHBondContact O-N 3.12Å; E700-L702 PolarHBondContact O-N 3.25Å; E700-K703 PolarHBondContact O-N 3.48Å; E700-K703 VanDerWaalsContact O-N 3.13Å; E700-E704 WeakPolarHBondContact O-CB 3.36Å; E700-E704 PolarHBondContact O-N 3.49Å
701	R	73.1	Confident	77.5	Confident	119 Å²	119	79 Å²	79	45%	0.449	39%	0.394	S	S	.	.	H	α-helix	trans	-65	-30.2	175.1	-65.6	178.8	174.7	176	-1.3	111.4	A697 E698 A705	A697-R701 HydrophobicContact CB-CB 3.93Å; E698-R701 WeakPolarHBondContact O-CB 3.5Å; E698-R701 PolarHBondContact O-N 3.35Å; R701-A705 VanDerWaalsContact O-CB 3.3Å; R701-A705 WeakPolarHBondContact O-CB 3.42Å; R701-A705 PolarHBondContact O-N 2.97Å
702	L	79.3	Confident	78.1	Confident	63 Å²	63	73.3 Å²	73.3	33%	0.33	37%	0.374	S	S	.	.	H	α-helix	trans	-64.5	-45.6	171.8	-178.3	55.9	0	0	0	111.5	V692 A697 E698 G699 E700 A705 Q706	V692-L702 HydrophobicContact CG1-CD1 3.56Å; A697-L702 WeakPolarHBondContact O-CB 3.15Å; E698-L702 PolarHBondContact O-N 2.93Å; G699-L702 WeakPolarHBondContact O-CB 3.47Å; G699-L702 PolarHBondContact O-N 3.08Å; E700-L702 PolarHBondContact O-N 3.25Å; L702-A705 PolarHBondContact O-N 2.95Å; L702-Q706 HydrophobicContact CD1-CG 4.44Å; L702-Q706 WeakPolarHBondContact O-CB 3.23Å; L702-Q706 WeakPolarHBondContact O-CG 3.39Å; L702-Q706 PolarHBondContact O-N 3.38Å
703	K	80.7	Confident	78.8	Confident	125 Å²	125	77.2 Å²	77.2	54%	0.543	39%	0.393	S	S	.	.	H	α-helix	trans	-64.7	-41.7	176.7	-62.6	176.6	-176.6	172.2	0	112	E700 Q706 N707	E700-K703 PolarHBondContact O-N 3.48Å; E700-K703 VanDerWaalsContact O-N 3.13Å; K703-Q706 PolarHBondContact O-N 2.83Å; K703-N707 PolarHBondContact O-N 2.9Å
704	E	77.7	Confident	79.9	Confident	13 Å²	13	68 Å²	68	6%	0.061	36%	0.359	C	S	.	.	H	α-helix	trans	-55.9	-55.4	172.8	178.7	-172.1	-156.9	0	0	110.6	Y590 R657 E700 Q706 N707 I708	Y590-E704 HydrophobicContact CE2-CG 4.2Å; Y590-E704 WeakPolarHBondContact CE2-OE1 3.39Å; Y590-E704 VanDerWaalsContact OH-CD 3.27Å; Y590-E704 PolarHBondContact OH-OE1 3.42Å; R657-E704 VanDerWaalsContact CD-CD 3.44Å; R657-E704 WeakPolarHBondContact CD-OE1 3.21Å; R657-E704 IonicContact CZ-OE2 3.36Å; R657-E704 IonicContact NH1-OE1 3.56Å; R657-E704 PolarHBondContact NH1-OE1 2.77Å; R657-E704 IonicContact NH1-OE2 2.68Å; R657-E704 PolarHBondContact NH1-OE2 3.09Å; E700-E704 WeakPolarHBondContact O-CB 3.36Å; E700-E704 PolarHBondContact O-N 3.49Å; E704-Q706 VanDerWaalsContact C-N 3.31Å; E704-Q706 PolarHBondContact O-N 2.93Å; E704-N707 PolarHBondContact O-N 3.2Å; E704-I708 HydrophobicContact CG-CD1 3.9Å; E704-I708 WeakPolarHBondContact O-CD1 3.46Å; E704-I708 VanDerWaalsContact O-CG1 3.28Å; E704-I708 WeakPolarHBondContact O-CG1 3.19Å; E704-I708 PolarHBondContact O-N 3.16Å
705	A	77.9	Confident	81.2	Confident	14 Å²	14	63.1 Å²	63.1	12%	0.116	34%	0.338	C	S	.	.	H	α-helix	trans	-63.5	-32.5	-179.9	0	0	0	0	0	113.6	V692 R701 L702 N709	V692-A705 HydrophobicContact CB-CB 4.44Å; V692-A705 HydrophobicContact CG1-CB 3.8Å; V692-A705 HydrophobicContact CG2-CB 4.05Å; R701-A705 VanDerWaalsContact O-CB 3.3Å; R701-A705 WeakPolarHBondContact O-CB 3.42Å; R701-A705 PolarHBondContact O-N 2.97Å; L702-A705 PolarHBondContact O-N 2.95Å; A705-N709 WeakPolarHBondContact O-CB 3.26Å; A705-N709 PolarHBondContact O-N 3.37Å; A705-N709 VanDerWaalsContact O-N 3.09Å; A705-N709 PolarHBondContact O-ND2 3.26Å
706	Q	82.2	Confident	82.3	Confident	103 Å²	103	60.6 Å²	60.6	48%	0.481	32%	0.322	S	S	.	.	H	α-helix	trans	-66.1	-46.3	171.7	-76.9	170	-5.8	0	0	112.1	L702 K703 E704 N709 R710	L702-Q706 HydrophobicContact CD1-CG 4.44Å; L702-Q706 WeakPolarHBondContact O-CB 3.23Å; L702-Q706 WeakPolarHBondContact O-CG 3.39Å; L702-Q706 PolarHBondContact O-N 3.38Å; K703-Q706 PolarHBondContact O-N 2.83Å; E704-Q706 VanDerWaalsContact C-N 3.31Å; E704-Q706 PolarHBondContact O-N 2.93Å; Q706-N709 PolarHBondContact O-N 2.69Å; Q706-R710 WeakPolarHBondContact O-CB 3.25Å; Q706-R710 PolarHBondContact O-N 2.93Å
707	N	83.4	Confident	83.6	Confident	49 Å²	49	60.3 Å²	60.3	26%	0.262	30%	0.304	S	S	.	.	H	α-helix	trans	-70.1	-33.3	179.6	-77.1	-29.5	0	0	0	112.7	N591 K703 E704 R710 S711	N591-N707 WeakPolarHBondContact OD1-CB 3.32Å; N591-N707 PolarHBondContact OD1-ND2 2.99Å; K703-N707 PolarHBondContact O-N 2.9Å; E704-N707 PolarHBondContact O-N 3.2Å; N707-R710 WeakPolarHBondContact O-CB 3.29Å; N707-R710 PolarHBondContact O-N 3.31Å; N707-S711 PolarHBondContact O-N 2.98Å
708	I	80.6	Confident	84.7	Confident	14 Å²	14	59.3 Å²	59.3	7%	0.072	30%	0.296	C	S	.	.	H	α-helix	trans	-59.7	-54.3	169.5	-66.9	159.1	0	0	0	109.8	R657 A687 E704 R710 S711 L712	R657-I708 HydrophobicContact CB-CD1 3.58Å; R657-I708 HydrophobicContact CG-CD1 3.81Å; R657-I708 WeakPolarHBondContact O-CD1 3.4Å; R657-I708 WeakPolarHBondContact O-CG1 3.49Å; A687-I708 HydrophobicContact CB-CG2 3.66Å; E704-I708 HydrophobicContact CG-CD1 3.9Å; E704-I708 WeakPolarHBondContact O-CD1 3.46Å; E704-I708 VanDerWaalsContact O-CG1 3.28Å; E704-I708 WeakPolarHBondContact O-CG1 3.19Å; E704-I708 PolarHBondContact O-N 3.16Å; I708-R710 VanDerWaalsContact C-N 3.3Å; I708-R710 PolarHBondContact O-N 3.43Å; I708-S711 PolarHBondContact O-N 3.47Å; I708-S711 PolarHBondContact O-OG 3.27Å; I708-L712 PolarHBondContact O-N 3.05Å
709	N	83.8	Confident	85.5	Confident	43 Å²	43	51.6 Å²	51.6	23%	0.23	26%	0.26	C	S	.	.	H	α-helix	trans	-66	-29	179.8	-89.8	-74.3	0	0	0	113.2	E690 V692 A705 Q706 S711 L712 L713	E690-N709 PolarHBondContact O-ND2 3.43Å; E690-N709 VanDerWaalsContact O-ND2 3.11Å; V692-N709 HydrophobicContact CG2-CB 4.31Å; V692-N709 WeakPolarHBondContact CG2-ND2 3.32Å; A705-N709 WeakPolarHBondContact O-CB 3.26Å; A705-N709 PolarHBondContact O-N 3.37Å; A705-N709 VanDerWaalsContact O-N 3.09Å; A705-N709 PolarHBondContact O-ND2 3.26Å; Q706-N709 PolarHBondContact O-N 2.69Å; N709-S711 VanDerWaalsContact C-N 3.33Å; N709-S711 PolarHBondContact O-N 3.31Å; N709-L712 PolarHBondContact O-N 3.18Å; N709-L713 VanDerWaalsContact O-CB 3.27Å; N709-L713 WeakPolarHBondContact O-CB 3.28Å; N709-L713 PolarHBondContact O-N 2.88Å
710	R	89.1	Confident	85.9	Confident	125 Å²	125	54.8 Å²	54.8	47%	0.472	26%	0.26	S	S	.	.	H	α-helix	trans	-57	-44.6	171.8	174.1	-174.5	164.7	176.9	-3.5	111.8	Q706 N707 I708 L713 A714 N733	Q706-R710 WeakPolarHBondContact O-CB 3.25Å; Q706-R710 PolarHBondContact O-N 2.93Å; N707-R710 WeakPolarHBondContact O-CB 3.29Å; N707-R710 PolarHBondContact O-N 3.31Å; I708-R710 VanDerWaalsContact C-N 3.3Å; I708-R710 PolarHBondContact O-N 3.43Å; R710-L713 PolarHBondContact O-N 3.39Å; R710-A714 WeakPolarHBondContact O-CB 3.49Å; R710-A714 PolarHBondContact O-N 3.09Å; R710-N733 PolarHBondContact NE-O 2.94Å; R710-N733 PolarHBondContact NH2-O 3.04Å
711	S	90.9	Very high	86.7	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.007	23%	0.228	C	C	.	.	H	α-helix	trans	-67	-36.5	-179.2	67.6	0	0	0	0	112.9	H659 N707 I708 N709 L715	H659-S711 PolarHBondContact CE1-OG 3.03Å; H659-S711 PolarHBondContact NE2-OG 2.84Å; N707-S711 PolarHBondContact O-N 2.98Å; I708-S711 PolarHBondContact O-N 3.47Å; I708-S711 PolarHBondContact O-OG 3.27Å; N709-S711 VanDerWaalsContact C-N 3.33Å; N709-S711 PolarHBondContact O-N 3.31Å; S711-L715 PolarHBondContact O-N 2.68Å; S711-L715 VanDerWaalsContact O-N 3.12Å
712	L	90.6	Very high	87.4	Confident	11 Å²	11	43.1 Å²	43.1	6%	0.058	21%	0.213	C	C	.	.	H	α-helix	trans	-76.2	-32.2	174.8	-65.4	-180	0	0	0	112.6	Y539 L686 G688 I708 N709 L715 G716 L736	Y539-L712 HydrophobicContact CD2-CD2 4.47Å; Y539-L712 HydrophobicContact CE2-CD2 4.21Å; L686-L712 HydrophobicContact CB-CD2 4.48Å; L686-L712 HydrophobicContact CD1-CD2 4.19Å; G688-L712 WeakPolarHBondContact O-CD1 3.32Å; I708-L712 PolarHBondContact O-N 3.05Å; N709-L712 PolarHBondContact O-N 3.18Å; L712-L715 HydrophobicContact CD2-CD2 4.49Å; L712-L715 PolarHBondContact O-N 3.38Å; L712-G716 PolarHBondContact O-N 2.89Å; L712-L736 HydrophobicContact CD2-CD2 4.4Å
713	L	90.7	Very high	87.8	Confident	113 Å²	113	46.2 Å²	46.2	59%	0.592	22%	0.22	S	C	*	.	H	α-helix	trans	-64.1	-48.1	171.3	-179.9	62.7	0	0	0	110.8	N709 R710 L715 G716 D717	N709-L713 VanDerWaalsContact O-CB 3.27Å; N709-L713 WeakPolarHBondContact O-CB 3.28Å; N709-L713 PolarHBondContact O-N 2.88Å; R710-L713 PolarHBondContact O-N 3.39Å; L713-L715 VanDerWaalsContact C-N 3.27Å; L713-L715 PolarHBondContact O-N 2.97Å; L713-G716 CarbonylContact O-C 3.53Å; L713-G716 VanDerWaalsContact O-CA 3.25Å; L713-G716 WeakPolarHBondContact O-CA 3.39Å; L713-G716 PolarHBondContact O-N 3.46Å; L713-D717 PolarHBondContact O-N 3.33Å
714	A	94.3	Very high	88	Confident	3 Å²	3	42.5 Å²	42.5	3%	0.025	22%	0.217	C	C	.	.	H	α-helix	trans	-58.9	-37.9	175	0	0	0	0	0	112.2	R710 G716 D717 V718 N733 T737	R710-A714 WeakPolarHBondContact O-CB 3.49Å; R710-A714 PolarHBondContact O-N 3.09Å; A714-G716 VanDerWaalsContact C-N 3.32Å; A714-D717 PolarHBondContact O-N 3.34Å; A714-V718 WeakPolarHBondContact O-CB 3.41Å; A714-V718 WeakPolarHBondContact O-CG2 3.4Å; A714-V718 PolarHBondContact O-N 2.85Å; A714-N733 HydrophobicContact CB-CB 3.8Å; A714-T737 HydrophobicContact CB-CG2 4.06Å
715	L	93.4	Very high	88.4	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-38.8	171.8	-179.1	62.8	0	0	0	111.5	L686 S711 L712 L713 I719 T737 L744 F772	L686-L715 HydrophobicContact CD1-CD2 4.13Å; S711-L715 PolarHBondContact O-N 2.68Å; S711-L715 VanDerWaalsContact O-N 3.12Å; L712-L715 HydrophobicContact CD2-CD2 4.49Å; L712-L715 PolarHBondContact O-N 3.38Å; L713-L715 VanDerWaalsContact C-N 3.27Å; L713-L715 PolarHBondContact O-N 2.97Å; L715-I719 WeakPolarHBondContact O-CB 3.44Å; L715-I719 VanDerWaalsContact O-CG1 3.29Å; L715-I719 WeakPolarHBondContact O-CG1 3.36Å; L715-I719 PolarHBondContact O-N 2.97Å; L715-T737 VanDerWaalsContact CA-CG2 3.49Å; L715-T737 HydrophobicContact CB-CG2 3.99Å; L715-T737 HydrophobicContact CD1-CG2 4.34Å; L715-L744 HydrophobicContact CD1-CD1 3.56Å; L715-F772 HydrophobicContact CG-CZ 4.32Å
716	G	91.8	Very high	88.9	Confident	11 Å²	11	55.5 Å²	55.5	11%	0.113	27%	0.267	C	S	.	.	H	α-helix	trans	-59.5	-45.6	170.2	0	0	0	0	0	113.5	L712 L713 A714 I719 Q720	L712-G716 PolarHBondContact O-N 2.89Å; L713-G716 CarbonylContact O-C 3.53Å; L713-G716 VanDerWaalsContact O-CA 3.25Å; L713-G716 WeakPolarHBondContact O-CA 3.39Å; L713-G716 PolarHBondContact O-N 3.46Å; A714-G716 VanDerWaalsContact C-N 3.32Å; G716-I719 PolarHBondContact O-N 3.06Å; G716-Q720 WeakPolarHBondContact O-CB 3.48Å; G716-Q720 PolarHBondContact O-N 2.88Å
717	D	93.8	Very high	89.1	Confident	61 Å²	61	58 Å²	58	33%	0.326	29%	0.29	S	S	.	.	H	α-helix	trans	-64.1	-42.9	177.9	-60.2	-30.2	0	0	0	111.6	L713 A714 Q720 A721 P730	L713-D717 PolarHBondContact O-N 3.33Å; A714-D717 PolarHBondContact O-N 3.34Å; D717-Q720 PolarHBondContact O-N 3.46Å; D717-A721 WeakPolarHBondContact O-CB 3.32Å; D717-A721 PolarHBondContact O-N 3.22Å; D717-P730 HydrophobicContact CB-CG 4.12Å
718	V	93.9	Very high	89.5	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60.8	-48.7	174.9	162.3	0	0	0	0	111.1	A714 Q720 A721 L722 I729 P730 F731 T737 L744	A714-V718 WeakPolarHBondContact O-CB 3.41Å; A714-V718 WeakPolarHBondContact O-CG2 3.4Å; A714-V718 PolarHBondContact O-N 2.85Å; V718-Q720 VanDerWaalsContact C-N 3.31Å; V718-Q720 PolarHBondContact O-N 3.02Å; V718-A721 PolarHBondContact O-N 3.15Å; V718-L722 HydrophobicContact CG1-CD1 3.76Å; V718-L722 HydrophobicContact CG1-CG 4.45Å; V718-L722 WeakPolarHBondContact O-CB 3.49Å; V718-L722 VanDerWaalsContact O-CG 3.25Å; V718-L722 WeakPolarHBondContact O-CG 3.42Å; V718-L722 PolarHBondContact O-N 3.38Å; V718-I729 HydrophobicContact CB-CG2 4.34Å; V718-I729 HydrophobicContact CG1-CG2 3.93Å; V718-I729 HydrophobicContact CG2-CG2 4.19Å; V718-P730 HydrophobicContact CG2-CG 4.12Å; V718-F731 HydrophobicContact CG1-CD1 3.81Å; V718-F731 HydrophobicContact CG1-CE1 3.45Å; V718-F731 VanDerWaalsContact CG1-CE1 3.45Å; V718-F731 HydrophobicContact CG1-CZ 4.27Å; V718-F731 HydrophobicContact CG2-CD1 3.96Å; V718-F731 HydrophobicContact CG2-CE1 4.43Å; V718-F731 HydrophobicContact CG2-CG 4.49Å; V718-T737 HydrophobicContact CB-CG2 4.4Å; V718-T737 HydrophobicContact CG2-CG2 3.9Å; V718-L744 HydrophobicContact CG1-CD1 4.34Å
719	I	91.6	Very high	90	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-60.9	-40	176.1	-73.3	-64.4	0	0	0	111.5	L715 G716 R723 F772 V776 V779	L715-I719 WeakPolarHBondContact O-CB 3.44Å; L715-I719 VanDerWaalsContact O-CG1 3.29Å; L715-I719 WeakPolarHBondContact O-CG1 3.36Å; L715-I719 PolarHBondContact O-N 2.97Å; G716-I719 PolarHBondContact O-N 3.06Å; I719-R723 WeakPolarHBondContact O-CB 3.49Å; I719-R723 PolarHBondContact O-N 3.28Å; I719-F772 HydrophobicContact CB-CE2 4.19Å; I719-F772 HydrophobicContact CG1-CE2 4.19Å; I719-F772 HydrophobicContact CG1-CZ 4.15Å; I719-F772 HydrophobicContact CG2-CE2 4.1Å; I719-V776 HydrophobicContact CD1-CG1 4.35Å; I719-V776 HydrophobicContact CD1-CG2 4.09Å; I719-V776 HydrophobicContact CG1-CG2 4.08Å; I719-V776 HydrophobicContact CG2-CG2 3.73Å; I719-V779 HydrophobicContact CD1-CG2 4.38Å; I719-V779 HydrophobicContact CG2-CG2 4.02Å
720	Q	90.1	Very high	90.5	Very high	121 Å²	121	62.5 Å²	62.5	57%	0.565	31%	0.31	S	S	*	.	H	α-helix	trans	-66.5	-42.6	176.5	179.8	164.9	-41.9	0	0	112.1	G716 D717 V718 R723 G724	G716-Q720 WeakPolarHBondContact O-CB 3.48Å; G716-Q720 PolarHBondContact O-N 2.88Å; D717-Q720 PolarHBondContact O-N 3.46Å; V718-Q720 VanDerWaalsContact C-N 3.31Å; V718-Q720 PolarHBondContact O-N 3.02Å; Q720-R723 PolarHBondContact O-N 3.16Å; Q720-G724 PolarHBondContact O-N 3.33Å
721	A	91.6	Very high	90.7	Very high	10 Å²	10	57.6 Å²	57.6	8%	0.083	29%	0.292	C	S	.	.	H	α-helix	trans	-65.8	-39.9	177.3	0	0	0	0	0	112.2	D717 V718 G724 R725 H726 I729	D717-A721 WeakPolarHBondContact O-CB 3.32Å; D717-A721 PolarHBondContact O-N 3.22Å; V718-A721 PolarHBondContact O-N 3.15Å; A721-G724 PolarHBondContact O-N 2.9Å; A721-R725 PolarHBondContact O-N 3Å; A721-H726 HydrophobicContact CB-CB 4.36Å; A721-H726 PolarHBondContact O-CD2 2.83Å; A721-H726 PolarHBondContact O-N 3.33Å; A721-I729 HydrophobicContact CB-CD1 3.69Å; A721-I729 HydrophobicContact CB-CG2 4.38Å
722	L	89.1	Confident	90.8	Very high	23 Å²	23	66.1 Å²	66.1	12%	0.12	32%	0.324	C	S	.	.	H	α-helix	trans	-65.9	-46.6	175.5	-70.2	165.3	0	0	0	111.2	V718 G724 R725 I729 L744 V779 L781	V718-L722 HydrophobicContact CG1-CD1 3.76Å; V718-L722 HydrophobicContact CG1-CG 4.45Å; V718-L722 WeakPolarHBondContact O-CB 3.49Å; V718-L722 VanDerWaalsContact O-CG 3.25Å; V718-L722 WeakPolarHBondContact O-CG 3.42Å; V718-L722 PolarHBondContact O-N 3.38Å; L722-G724 VanDerWaalsContact C-N 3.33Å; L722-G724 PolarHBondContact O-N 2.64Å; L722-R725 WeakPolarHBondContact O-CA 3.5Å; L722-R725 PolarHBondContact O-N 3.19Å; L722-I729 HydrophobicContact CD2-CD1 3.89Å; L722-I729 HydrophobicContact CD2-CG1 3.88Å; L722-I729 HydrophobicContact CD2-CG2 4.18Å; L722-I729 HydrophobicContact CG-CD1 4.11Å; L722-I729 HydrophobicContact CG-CG1 4.41Å; L722-I729 HydrophobicContact CG-CG2 4.02Å; L722-L744 HydrophobicContact CD1-CB 4.35Å; L722-L744 WeakPolarHBondContact CD1-O 3.32Å; L722-V779 HydrophobicContact CB-CG1 3.55Å; L722-V779 HydrophobicContact CD1-CG1 4.5Å; L722-L781 HydrophobicContact CD1-CD2 4.41Å; L722-L781 HydrophobicContact CD2-CD2 4.33Å
723	R	86.4	Confident	90.9	Very high	129 Å²	129	69.2 Å²	69.2	49%	0.487	34%	0.34	S	S	.	.	H	α-helix	trans	-58	-42.6	173.7	170.8	170.1	169.7	-123.3	-13.1	112.5	I719 Q720 R725 K778 V779	I719-R723 WeakPolarHBondContact O-CB 3.49Å; I719-R723 PolarHBondContact O-N 3.28Å; Q720-R723 PolarHBondContact O-N 3.16Å; R723-R725 PolarHBondContact O-N 3.4Å; R723-K778 WeakPolarHBondContact CG-O 3.31Å; R723-V779 HydrophobicContact CB-CG2 3.99Å
724	G	85.6	Confident	91	Very high	46 Å²	46	63.9 Å²	63.9	47%	0.474	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	0.2	176.2	0	0	0	0	0	114.2	Q720 A721 L722 H726	Q720-G724 PolarHBondContact O-N 3.33Å; A721-G724 PolarHBondContact O-N 2.9Å; L722-G724 VanDerWaalsContact C-N 3.33Å; L722-G724 PolarHBondContact O-N 2.64Å; G724-H726 PolarHBondContact O-N 3.47Å
725	R	85.8	Confident	91	Very high	187 Å²	187	67.3 Å²	67.3	71%	0.706	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	35.2	-175.5	-60.1	-178	175	-171.7	0.8	113	A721 L722 R723 E780	A721-R725 PolarHBondContact O-N 3Å; L722-R725 WeakPolarHBondContact O-CA 3.5Å; L722-R725 PolarHBondContact O-N 3.19Å; R723-R725 PolarHBondContact O-N 3.4Å; R725-E780 IonicContact CZ-OE2 3.67Å; R725-E780 IonicContact NE-OE2 2.73Å; R725-E780 IonicContact NH2-OE2 3.68Å; R725-E780 PolarHBondContact NH2-OE2 2.9Å
726	H	88.6	Confident	91	Very high	114 Å²	114	67.2 Å²	67.2	53%	0.528	32%	0.324	S	S	.	.			trans	-65.1	141.7	-178.8	-71.4	-101.5	0	0	0	111.6	A721 G724 H728 I729	A721-H726 HydrophobicContact CB-CB 4.36Å; A721-H726 PolarHBondContact O-CD2 2.83Å; A721-H726 PolarHBondContact O-N 3.33Å; G724-H726 PolarHBondContact O-N 3.47Å; H726-H728 VanDerWaalsContact C-N 3.28Å; H726-H728 PolarHBondContact O-N 2.79Å; H726-I729 HydrophobicContact CB-CD1 4.41Å; H726-I729 VanDerWaalsContact O-CD1 3.3Å; H726-I729 WeakPolarHBondContact O-CD1 3.36Å
727	T	86.7	Confident	91	Very high	156 Å²	156	66.7 Å²	66.7	96%	0.957	32%	0.319	S	S	*	.	S	Bend	trans	-62.8	-33.1	-179.5	-41.1	0	0	0	0	113.2
728	H	90.8	Very high	91	Very high	148 Å²	148	65 Å²	65	69%	0.685	31%	0.308	S	S	*	.	S	Bend	trans	-112.3	120.2	175.7	174.8	-88.4	0	0	0	110.1	H726	H726-H728 VanDerWaalsContact C-N 3.28Å; H726-H728 PolarHBondContact O-N 2.79Å
729	I	92.2	Very high	90.8	Very high	32 Å²	32	65.6 Å²	65.6	16%	0.164	31%	0.311	C	S	.	.			trans	-103.4	125.9	176.3	-51.2	-58.9	0	0	0	108.5	V718 A721 L722 H726 F731	V718-I729 HydrophobicContact CB-CG2 4.34Å; V718-I729 HydrophobicContact CG1-CG2 3.93Å; V718-I729 HydrophobicContact CG2-CG2 4.19Å; A721-I729 HydrophobicContact CB-CD1 3.69Å; A721-I729 HydrophobicContact CB-CG2 4.38Å; L722-I729 HydrophobicContact CD2-CD1 3.89Å; L722-I729 HydrophobicContact CD2-CG1 3.88Å; L722-I729 HydrophobicContact CD2-CG2 4.18Å; L722-I729 HydrophobicContact CG-CD1 4.11Å; L722-I729 HydrophobicContact CG-CG1 4.41Å; L722-I729 HydrophobicContact CG-CG2 4.02Å; H726-I729 HydrophobicContact CB-CD1 4.41Å; H726-I729 VanDerWaalsContact O-CD1 3.3Å; H726-I729 WeakPolarHBondContact O-CD1 3.36Å; I729-F731 HydrophobicContact CB-CD2 3.81Å; I729-F731 HydrophobicContact CB-CE2 3.53Å; I729-F731 HydrophobicContact CB-CZ 4.14Å; I729-F731 HydrophobicContact CG1-CE2 4.24Å; I729-F731 HydrophobicContact CG2-CD1 4.25Å; I729-F731 HydrophobicContact CG2-CD2 3.73Å; I729-F731 HydrophobicContact CG2-CE1 3.93Å; I729-F731 HydrophobicContact CG2-CE2 3.4Å; I729-F731 HydrophobicContact CG2-CG 4.16Å; I729-F731 HydrophobicContact CG2-CZ 3.51Å; I729-F731 PolarHBondContact O-N 3.01Å
730	P	94.1	Very high	90.7	Very high	20 Å²	20	65.6 Å²	65.6	13%	0.13	31%	0.311	C	S	.	.			trans	-80.3	46.4	-167.7	34.1	-38.2	0	0	0	114.2	D717 V718 R732 N733	D717-P730 HydrophobicContact CB-CG 4.12Å; V718-P730 HydrophobicContact CG2-CG 4.12Å; P730-R732 PolarHBondContact O-N 3.32Å; P730-N733 WeakPolarHBondContact O-CB 3.42Å; P730-N733 PolarHBondContact O-N 3.47Å
731	F	92.5	Very high	90.7	Very high	21 Å²	21	62.5 Å²	62.5	9%	0.092	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-54.3	-30.9	-177.5	-69.1	-66.8	0	0	0	113.7	V718 I729 N733 T737 Y738 Q741 L744	V718-F731 HydrophobicContact CG1-CD1 3.81Å; V718-F731 HydrophobicContact CG1-CE1 3.45Å; V718-F731 VanDerWaalsContact CG1-CE1 3.45Å; V718-F731 HydrophobicContact CG1-CZ 4.27Å; V718-F731 HydrophobicContact CG2-CD1 3.96Å; V718-F731 HydrophobicContact CG2-CE1 4.43Å; V718-F731 HydrophobicContact CG2-CG 4.49Å; I729-F731 HydrophobicContact CB-CD2 3.81Å; I729-F731 HydrophobicContact CB-CE2 3.53Å; I729-F731 HydrophobicContact CB-CZ 4.14Å; I729-F731 HydrophobicContact CG1-CE2 4.24Å; I729-F731 HydrophobicContact CG2-CD1 4.25Å; I729-F731 HydrophobicContact CG2-CD2 3.73Å; I729-F731 HydrophobicContact CG2-CE1 3.93Å; I729-F731 HydrophobicContact CG2-CE2 3.4Å; I729-F731 HydrophobicContact CG2-CG 4.16Å; I729-F731 HydrophobicContact CG2-CZ 3.51Å; I729-F731 PolarHBondContact O-N 3.01Å; F731-N733 VanDerWaalsContact C-N 3.29Å; F731-N733 PolarHBondContact O-N 2.99Å; F731-T737 WeakPolarHBondContact CD1-O 3.41Å; F731-T737 CarbonylContact O-C 3.6Å; F731-T737 VanDerWaalsContact O-C 3.22Å; F731-T737 VanDerWaalsContact O-CB 3.26Å; F731-T737 WeakPolarHBondContact O-CB 3.49Å; F731-T737 PolarHBondContact O-OG1 3.18Å; F731-Y738 WeakPolarHBondContact O-CA 3.34Å; F731-Y738 PolarHBondContact O-N 2.82Å; F731-Q741 HydrophobicContact CB-CB 4.28Å; F731-Q741 HydrophobicContact CB-CG 4.27Å; F731-Q741 HydrophobicContact CD1-CB 4.15Å; F731-Q741 HydrophobicContact CD1-CG 4.3Å; F731-Q741 HydrophobicContact CD2-CB 4.39Å; F731-Q741 HydrophobicContact CD2-CG 3.69Å; F731-Q741 HydrophobicContact CE2-CG 3.98Å; F731-Q741 HydrophobicContact CG-CB 4.05Å; F731-Q741 HydrophobicContact CG-CG 3.85Å; F731-Q741 HydrophobicContact CZ-CG 4.42Å; F731-L744 HydrophobicContact CE1-CB 3.93Å; F731-L744 HydrophobicContact CZ-CB 4.47Å
732	R	92.4	Very high	90.3	Very high	181 Å²	181	63.4 Å²	63.4	68%	0.683	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-75.3	-4.8	-179.7	-68.6	-177.4	173.9	-177.8	-1.5	115.3	P730 S734 Y738	P730-R732 PolarHBondContact O-N 3.32Å; R732-S734 PolarHBondContact O-N 3.3Å; R732-Y738 HydrophobicContact CG-CD2 4.09Å; R732-Y738 HydrophobicContact CG-CE2 4.2Å; R732-Y738 HydrophobicContact CG-CG 4.38Å
733	N	92.7	Very high	90	Very high	75 Å²	75	62.5 Å²	62.5	40%	0.401	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-65.5	-25.9	-177.7	-77.2	14.7	0	0	0	113.8	R710 A714 P730 F731	R710-N733 PolarHBondContact NE-O 2.94Å; R710-N733 PolarHBondContact NH2-O 3.04Å; A714-N733 HydrophobicContact CB-CB 3.8Å; P730-N733 WeakPolarHBondContact O-CB 3.42Å; P730-N733 PolarHBondContact O-N 3.47Å; F731-N733 VanDerWaalsContact C-N 3.29Å; F731-N733 PolarHBondContact O-N 2.99Å
734	S	94.6	Very high	89.9	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.014	27%	0.272	C	S	.	.	S	Bend	trans	-140.9	161.3	171.9	75.8	0	0	0	0	112.5	E592 R732 L736 T737 Y738	E592-S734 WeakPolarHBondContact OE2-CA 3.42Å; E592-S734 WeakPolarHBondContact OE2-CB 3.28Å; R732-S734 PolarHBondContact O-N 3.3Å; S734-L736 VanDerWaalsContact C-N 3.32Å; S734-L736 PolarHBondContact O-N 3.16Å; S734-T737 PolarHBondContact N-OG1 3.03Å; S734-T737 PolarHBondContact O-OG1 2.89Å; S734-T737 VanDerWaalsContact O-OG1 3.07Å; S734-T737 PolarHBondContact OG-N 3.26Å; S734-T737 VanDerWaalsContact OG-N 3.08Å; S734-T737 PolarHBondContact OG-OG1 2.84Å; S734-Y738 WeakPolarHBondContact O-CB 3.24Å; S734-Y738 PolarHBondContact O-N 3.49Å; S734-Y738 VanDerWaalsContact O-N 3.09Å
735	R	92.9	Very high	89.5	Confident	74 Å²	74	55 Å²	55	28%	0.279	26%	0.258	S	S	.	.	H	α-helix	trans	-62.5	-38.5	172.6	-65.3	-48.6	-162.4	153.6	9.9	112.6	I589 E592 L594 D606 I607 Y738 L739	I589-R735 HydrophobicContact CD1-CB 4.41Å; I589-R735 HydrophobicContact CG2-CB 4.11Å; E592-R735 HydrophobicContact CB-CG 4.38Å; E592-R735 VanDerWaalsContact O-CG 3.26Å; E592-R735 WeakPolarHBondContact O-CG 3.46Å; E592-R735 PolarHBondContact OE2-N 3.33Å; L594-R735 HydrophobicContact CD1-CB 3.84Å; L594-R735 HydrophobicContact CD1-CG 3.78Å; D606-R735 IonicContact OD1-CZ 3.57Å; D606-R735 IonicContact OD1-NH1 3.14Å; D606-R735 PolarHBondContact OD1-NH1 3.19Å; D606-R735 IonicContact OD1-NH2 2.71Å; D606-R735 PolarHBondContact OD1-NH2 3.29Å; I607-R735 HydrophobicContact CD1-CB 4.42Å; I607-R735 WeakPolarHBondContact CD1-O 3.4Å; R735-Y738 PolarHBondContact O-N 3.27Å; R735-L739 WeakPolarHBondContact O-CB 3.38Å; R735-L739 PolarHBondContact O-N 3.49Å
736	L	93.2	Very high	88.9	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.2	-53.5	177.1	176.2	67.3	0	0	0	111.3	I589 H659 L686 L712 S734 Y738 L739 L740	I589-L736 HydrophobicContact CD1-CB 4.18Å; I589-L736 HydrophobicContact CD1-CD1 4.3Å; H659-L736 HydrophobicContact CB-CD1 4.32Å; L686-L736 HydrophobicContact CD2-CD1 3.85Å; L686-L736 HydrophobicContact CD2-CD2 3.79Å; L686-L736 HydrophobicContact CD2-CG 4.44Å; L712-L736 HydrophobicContact CD2-CD2 4.4Å; S734-L736 VanDerWaalsContact C-N 3.32Å; S734-L736 PolarHBondContact O-N 3.16Å; L736-Y738 VanDerWaalsContact C-N 3.28Å; L736-Y738 PolarHBondContact O-N 2.99Å; L736-L739 PolarHBondContact O-N 3.35Å; L736-L740 HydrophobicContact CD1-CD1 3.76Å; L736-L740 HydrophobicContact CD1-CG 4.38Å; L736-L740 HydrophobicContact CG-CD1 4.17Å; L736-L740 WeakPolarHBondContact O-CB 3.24Å; L736-L740 WeakPolarHBondContact O-CG 3.49Å; L736-L740 PolarHBondContact O-N 3.18Å
737	T	93.5	Very high	88.3	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.1	-30.7	-179.4	47.3	0	0	0	0	112.9	A714 L715 V718 F731 S734 Q741	A714-T737 HydrophobicContact CB-CG2 4.06Å; L715-T737 VanDerWaalsContact CA-CG2 3.49Å; L715-T737 HydrophobicContact CB-CG2 3.99Å; L715-T737 HydrophobicContact CD1-CG2 4.34Å; V718-T737 HydrophobicContact CB-CG2 4.4Å; V718-T737 HydrophobicContact CG2-CG2 3.9Å; F731-T737 WeakPolarHBondContact CD1-O 3.41Å; F731-T737 CarbonylContact O-C 3.6Å; F731-T737 VanDerWaalsContact O-C 3.22Å; F731-T737 VanDerWaalsContact O-CB 3.26Å; F731-T737 WeakPolarHBondContact O-CB 3.49Å; F731-T737 PolarHBondContact O-OG1 3.18Å; S734-T737 PolarHBondContact N-OG1 3.03Å; S734-T737 PolarHBondContact O-OG1 2.89Å; S734-T737 VanDerWaalsContact O-OG1 3.07Å; S734-T737 PolarHBondContact OG-N 3.26Å; S734-T737 VanDerWaalsContact OG-N 3.08Å; S734-T737 PolarHBondContact OG-OG1 2.84Å; T737-Q741 PolarHBondContact O-N 3.38Å
738	Y	92.7	Very high	88.2	Confident	25 Å²	25	42.8 Å²	42.8	10%	0.098	20%	0.198	C	C	.	.	H	α-helix	trans	-73.5	-44.6	177.5	-168.1	-150.9	0	0	0	110.8	I607 L617 F731 R732 S734 R735 L736 L740 Q741	I607-Y738 HydrophobicContact CB-CD1 3.84Å; I607-Y738 HydrophobicContact CB-CE1 3.94Å; I607-Y738 HydrophobicContact CD1-CD1 3.93Å; I607-Y738 HydrophobicContact CD1-CG 4.35Å; I607-Y738 HydrophobicContact CG2-CD1 3.71Å; I607-Y738 HydrophobicContact CG2-CE1 3.67Å; I607-Y738 HydrophobicContact CG2-CG 4.34Å; L617-Y738 HydrophobicContact CD1-CD2 3.57Å; L617-Y738 HydrophobicContact CD1-CE2 3.43Å; L617-Y738 VanDerWaalsContact CD1-CE2 3.43Å; L617-Y738 HydrophobicContact CD1-CG 4.32Å; L617-Y738 WeakPolarHBondContact CD1-O 3.13Å; L617-Y738 HydrophobicContact CD2-CE2 3.72Å; L617-Y738 WeakPolarHBondContact CD2-OH 3.39Å; L617-Y738 HydrophobicContact CG-CE2 4.25Å; F731-Y738 WeakPolarHBondContact O-CA 3.34Å; F731-Y738 PolarHBondContact O-N 2.82Å; R732-Y738 HydrophobicContact CG-CD2 4.09Å; R732-Y738 HydrophobicContact CG-CE2 4.2Å; R732-Y738 HydrophobicContact CG-CG 4.38Å; S734-Y738 WeakPolarHBondContact O-CB 3.24Å; S734-Y738 PolarHBondContact O-N 3.49Å; S734-Y738 VanDerWaalsContact O-N 3.09Å; R735-Y738 PolarHBondContact O-N 3.27Å; L736-Y738 VanDerWaalsContact C-N 3.28Å; L736-Y738 PolarHBondContact O-N 2.99Å; Y738-L740 PolarHBondContact O-N 3.38Å; Y738-Q741 WeakPolarHBondContact O-CB 3.4Å; Y738-Q741 PolarHBondContact O-N 3.25Å; Y738-Q741 VanDerWaalsContact O-N 3.1Å
739	L	90.6	Very high	88.2	Confident	12 Å²	12	35.8 Å²	35.8	6%	0.063	17%	0.165	C	C	.	.	H	α-helix	trans	-64.2	-28.8	176.3	-171.5	57.7	0	0	0	112.8	V587 I589 L594 I607 V619 L661 R735 L736	V587-L739 HydrophobicContact CG1-CD2 4.26Å; I589-L739 HydrophobicContact CD1-CD2 4.16Å; L594-L739 HydrophobicContact CD2-CD2 4.42Å; I607-L739 HydrophobicContact CD1-CB 3.9Å; V619-L739 HydrophobicContact CG2-CD1 3.83Å; L661-L739 HydrophobicContact CD1-CD2 4.33Å; L661-L739 HydrophobicContact CD2-CD2 3.85Å; L661-L739 HydrophobicContact CD2-CG 4.28Å; R735-L739 WeakPolarHBondContact O-CB 3.38Å; R735-L739 PolarHBondContact O-N 3.49Å; L736-L739 PolarHBondContact O-N 3.35Å
740	L	89.3	Confident	88.2	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.01	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	7.5	175.4	-64	179.6	0	0	0	114.4	L661 V684 L736 Y738 D742 S743 L744	L661-L740 HydrophobicContact CD2-CD2 3.87Å; L661-L740 HydrophobicContact CD2-CG 4.46Å; V684-L740 HydrophobicContact CG2-CD2 4.28Å; L736-L740 HydrophobicContact CD1-CD1 3.76Å; L736-L740 HydrophobicContact CD1-CG 4.38Å; L736-L740 HydrophobicContact CG-CD1 4.17Å; L736-L740 WeakPolarHBondContact O-CB 3.24Å; L736-L740 WeakPolarHBondContact O-CG 3.49Å; L736-L740 PolarHBondContact O-N 3.18Å; Y738-L740 PolarHBondContact O-N 3.38Å; L740-D742 VanDerWaalsContact C-N 3.32Å; L740-D742 PolarHBondContact O-N 2.77Å; L740-S743 CarbonylContact O-C 3.57Å; L740-S743 WeakPolarHBondContact O-CA 3.3Å; L740-S743 WeakPolarHBondContact O-CB 3.39Å; L740-S743 PolarHBondContact O-N 2.92Å; L740-L744 HydrophobicContact CB-CD1 4.06Å; L740-L744 HydrophobicContact CB-CG 4.35Å; L740-L744 PolarHBondContact O-N 2.77Å
741	Q	89	Confident	88.2	Confident	56 Å²	56	33.5 Å²	33.5	26%	0.262	15%	0.152	S	C	.	.	H	α-helix	trans	-56.1	-45.2	177.6	-178.4	-178	-65.1	0	0	111.9	L617 F731 T737 Y738 S743 G745	L617-Q741 HydrophobicContact CD1-CB 3.83Å; L617-Q741 HydrophobicContact CD1-CG 4.48Å; F731-Q741 HydrophobicContact CB-CB 4.28Å; F731-Q741 HydrophobicContact CB-CG 4.27Å; F731-Q741 HydrophobicContact CD1-CB 4.15Å; F731-Q741 HydrophobicContact CD1-CG 4.3Å; F731-Q741 HydrophobicContact CD2-CB 4.39Å; F731-Q741 HydrophobicContact CD2-CG 3.69Å; F731-Q741 HydrophobicContact CE2-CG 3.98Å; F731-Q741 HydrophobicContact CG-CB 4.05Å; F731-Q741 HydrophobicContact CG-CG 3.85Å; F731-Q741 HydrophobicContact CZ-CG 4.42Å; T737-Q741 PolarHBondContact O-N 3.38Å; Y738-Q741 WeakPolarHBondContact O-CB 3.4Å; Y738-Q741 PolarHBondContact O-N 3.25Å; Y738-Q741 VanDerWaalsContact O-N 3.1Å; Q741-S743 PolarHBondContact O-N 3.09Å; Q741-S743 VanDerWaalsContact O-N 3.16Å; Q741-G745 WeakPolarHBondContact O-CA 3.46Å; Q741-G745 PolarHBondContact O-N 3.3Å
742	D	82.8	Confident	88.4	Confident	29 Å²	29	32.5 Å²	32.5	16%	0.155	15%	0.148	C	C	.	.	H	α-helix	trans	-71.6	-4	178.2	-60.1	-15.1	0	0	0	113.4	L617 L740	L617-D742 PolarHBondContact N-OD2 2.89Å; L740-D742 VanDerWaalsContact C-N 3.32Å; L740-D742 PolarHBondContact O-N 2.77Å
743	S	83.6	Confident	88.6	Confident	3 Å²	3	23.9 Å²	23.9	2%	0.021	12%	0.115	C	C	.	.	H	α-helix	trans	-112.8	-26.2	-177.9	-72.6	0	0	0	0	113.8	N682 L740 Q741 S748 T750	N682-S743 PolarHBondContact ND2-OG 2.95Å; L740-S743 CarbonylContact O-C 3.57Å; L740-S743 WeakPolarHBondContact O-CA 3.3Å; L740-S743 WeakPolarHBondContact O-CB 3.39Å; L740-S743 PolarHBondContact O-N 2.92Å; Q741-S743 PolarHBondContact O-N 3.09Å; Q741-S743 VanDerWaalsContact O-N 3.16Å; S743-S748 VanDerWaalsContact C-OG 3.25Å; S743-S748 PolarHBondContact O-OG 3.28Å; S743-T750 PolarHBondContact O-OG1 3.19Å
744	L	83.6	Confident	88.9	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-110.4	5.1	177.6	-61.2	174	0	0	0	111.9	F537 L715 V718 L722 F731 L740 T750 L781	F537-L744 HydrophobicContact CE1-CD2 4.3Å; L715-L744 HydrophobicContact CD1-CD1 3.56Å; V718-L744 HydrophobicContact CG1-CD1 4.34Å; L722-L744 HydrophobicContact CD1-CB 4.35Å; L722-L744 WeakPolarHBondContact CD1-O 3.32Å; F731-L744 HydrophobicContact CE1-CB 3.93Å; F731-L744 HydrophobicContact CZ-CB 4.47Å; L740-L744 HydrophobicContact CB-CD1 4.06Å; L740-L744 HydrophobicContact CB-CG 4.35Å; L740-L744 PolarHBondContact O-N 2.77Å; L744-T750 HydrophobicContact CD2-CG2 4.05Å; L744-L781 WeakPolarHBondContact O-CD2 3.42Å
745	G	77.2	Confident	88.9	Confident	17 Å²	17	20.3 Å²	20.3	18%	0.175	10%	0.096	C	C	.	.	S	Bend	trans	-83.8	-171.4	172.8	0	0	0	0	0	113	Q741 S748 L781	Q741-G745 WeakPolarHBondContact O-CA 3.46Å; Q741-G745 PolarHBondContact O-N 3.3Å; G745-S748 PolarHBondContact O-OG 3.45Å; G745-S748 VanDerWaalsContact O-OG 3.11Å; G745-L781 WeakPolarHBondContact O-CD1 3.29Å
746	K	74.2	Confident	89.1	Confident	193 Å²	193	16.8 Å²	16.8	84%	0.839	8%	0.083	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	145.1	175.8	-57.7	-169.3	178.2	179.9	0	110.8	L781	K746-L781 WeakPolarHBondContact CA-O 3.4Å; K746-L781 WeakPolarHBondContact CG-O 3.47Å
747	G	74.8	Confident	89	Confident	6 Å²	6	16.9 Å²	16.9	6%	0.062	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	-8.8	173	0	0	0	0	0	116.3	P783 A785	G747-P783 WeakPolarHBondContact CA-O 3.4Å; G747-A785 PolarHBondContact O-N 3.2Å
748	S	85.4	Confident	88.9	Confident	2 Å²	2	17.1 Å²	17.1	1%	0.014	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	160.5	174.9	49.9	0	0	0	0	112.8	H533 S743 G745	H533-S748 CarbonylContact O-C 3.54Å; H533-S748 WeakPolarHBondContact O-CA 3.22Å; S743-S748 VanDerWaalsContact C-OG 3.25Å; S743-S748 PolarHBondContact O-OG 3.28Å; G745-S748 PolarHBondContact O-OG 3.45Å; G745-S748 VanDerWaalsContact O-OG 3.11Å
749	K	90.5	Very high	88.8	Confident	2 Å²	2	16.2 Å²	16.2	1%	0.009	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	125.1	176.6	-59.1	-179	176.7	-169.3	0	110.3	E449 V452 L524 S527 H533 V534 C535 A784	E449-K749 WeakPolarHBondContact OE1-CE 3.44Å; E449-K749 IonicContact OE1-NZ 3.79Å; E449-K749 PolarHBondContact OE1-NZ 2.91Å; E449-K749 IonicContact OE2-NZ 3.73Å; E449-K749 PolarHBondContact OE2-NZ 2.92Å; V452-K749 HydrophobicContact CG1-CD 3.7Å; L524-K749 HydrophobicContact CD2-CB 4.1Å; L524-K749 HydrophobicContact CD2-CD 4.11Å; S527-K749 PolarHBondContact OG-NZ 2.91Å; H533-K749 PolarHBondContact O-N 2.93Å; V534-K749 CarbonylContact C-O 3.56Å; V534-K749 VanDerWaalsContact CA-O 3.27Å; V534-K749 WeakPolarHBondContact CA-O 3.42Å; C535-K749 PolarHBondContact N-O 3.42Å; K749-A784 HydrophobicContact CG-CB 4.19Å
750	T	92.3	Very high	88.7	Confident	3 Å²	3	19.9 Å²	19.9	2%	0.018	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	135.3	-171.2	-80.2	0	0	0	0	112.7	N457 I458 R459 C535 F537 S743 L744	N457-T750 PolarHBondContact O-N 3.01Å; I458-T750 CarbonylContact C-O 3.55Å; I458-T750 WeakPolarHBondContact CA-O 3.49Å; I458-T750 HydrophobicContact CG1-CG2 4.1Å; R459-T750 PolarHBondContact N-O 3.35Å; C535-T750 CarbonylContact O-C 3.57Å; C535-T750 VanDerWaalsContact O-CA 3.29Å; C535-T750 WeakPolarHBondContact O-CA 3.39Å; F537-T750 HydrophobicContact CD1-CG2 4.25Å; F537-T750 HydrophobicContact CE1-CG2 3.66Å; S743-T750 PolarHBondContact O-OG1 3.19Å; L744-T750 HydrophobicContact CD2-CG2 4.05Å
751	V	94.9	Very high	88.6	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.1	167	157.9	0	0	0	0	109.5	R459 L461 L524 C535 I536 F537 V753	R459-V751 HydrophobicContact CB-CG2 3.95Å; R459-V751 WeakPolarHBondContact O-CA 3.37Å; L461-V751 HydrophobicContact CD1-CG1 3.83Å; L461-V751 HydrophobicContact CG-CG1 4.11Å; L524-V751 HydrophobicContact CD1-CB 4.15Å; L524-V751 HydrophobicContact CD1-CG2 3.47Å; L524-V751 VanDerWaalsContact CD1-CG2 3.47Å; C535-V751 PolarHBondContact O-N 3Å; I536-V751 WeakPolarHBondContact CA-O 3.44Å; I536-V751 HydrophobicContact CG1-CB 4.23Å; I536-V751 HydrophobicContact CG2-CG1 4.25Å; F537-V751 PolarHBondContact N-O 3.03Å; V751-V753 HydrophobicContact CG1-CG2 3.67Å
752	M	96.1	Very high	88.6	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.9	161.9	175.9	-176.1	-176.5	0	0	108.4	R459 V460 L461 F537 Y539 V754 F772 A773 V776	R459-M752 PolarHBondContact O-N 3.02Å; V460-M752 CarbonylContact C-O 3.58Å; V460-M752 WeakPolarHBondContact CA-O 3.28Å; V460-M752 HydrophobicContact CG1-CB 4.11Å; V460-M752 HydrophobicContact CG1-CG 4.05Å; V460-M752 HydrophobicContact CG1-SD 3.82Å; V460-M752 HydrophobicContact CG2-CB 4.25Å; V460-M752 HydrophobicContact CG2-SD 4.42Å; L461-M752 PolarHBondContact N-O 2.92Å; F537-M752 HydrophobicContact CD2-CB 4.39Å; F537-M752 HydrophobicContact CD2-CG 4.2Å; F537-M752 HydrophobicContact CE1-CB 4.19Å; F537-M752 HydrophobicContact CE2-CB 3.77Å; F537-M752 HydrophobicContact CE2-CG 3.54Å; F537-M752 HydrophobicContact CE2-SD 4.22Å; F537-M752 HydrophobicContact CZ-CB 3.65Å; F537-M752 HydrophobicContact CZ-CG 3.91Å; F537-M752 HydrophobicContact CZ-SD 4.45Å; Y539-M752 HydrophobicContact CD1-CE 3.58Å; Y539-M752 HydrophobicContact CD2-CE 4.34Å; Y539-M752 HydrophobicContact CE1-CE 4.41Å; Y539-M752 HydrophobicContact CG-CE 3.57Å; M752-V754 HydrophobicContact CE-CB 4.06Å; M752-V754 HydrophobicContact CE-CG2 4.27Å; M752-F772 HydrophobicContact CE-CD1 3.41Å; M752-F772 VanDerWaalsContact CE-CD1 3.41Å; M752-F772 HydrophobicContact CE-CE1 3.65Å; M752-F772 HydrophobicContact CE-CG 4.41Å; M752-F772 HydrophobicContact SD-CD1 4.42Å; M752-F772 HydrophobicContact SD-CE1 4.3Å; M752-A773 HydrophobicContact CE-CB 4.34Å; M752-A773 HydrophobicContact SD-CB 4.5Å; M752-V776 HydrophobicContact CB-CG1 4.35Å; M752-V776 HydrophobicContact SD-CB 3.93Å; M752-V776 HydrophobicContact SD-CG1 3.98Å; M752-V776 HydrophobicContact SD-CG2 3.75Å
753	V	97.7	Very high	89.1	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	98.3	169.2	-161.9	0	0	0	0	108.9	L461 I521 I536 F537 A538 Y539 T549 I559 V751 Q755	L461-V753 CarbonylContact O-C 3.51Å; L461-V753 VanDerWaalsContact O-CA 3.26Å; L461-V753 WeakPolarHBondContact O-CA 3.24Å; I521-V753 HydrophobicContact CD1-CG2 4.2Å; I536-V753 HydrophobicContact CG2-CG2 4.38Å; F537-V753 PolarHBondContact O-N 3.42Å; A538-V753 WeakPolarHBondContact CA-O 3.35Å; Y539-V753 PolarHBondContact N-O 3.09Å; T549-V753 HydrophobicContact CG2-CG1 4.28Å; I559-V753 HydrophobicContact CD1-CG2 4.41Å; V751-V753 HydrophobicContact CG1-CG2 3.67Å; V753-Q755 VanDerWaalsContact CG1-NE2 3.27Å
754	V	97.5	Very high	89.5	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	125.5	177.8	66.1	0	0	0	0	110.4	V460 L461 C462 R463 L504 Y539 M752 V756 L770 A773	V460-V754 HydrophobicContact CG1-CG1 4.26Å; L461-V754 PolarHBondContact O-N 2.83Å; C462-V754 CarbonylContact C-O 3.54Å; C462-V754 WeakPolarHBondContact CA-O 3.35Å; C462-V754 HydrophobicContact CB-CG1 3.72Å; R463-V754 PolarHBondContact N-O 2.83Å; L504-V754 HydrophobicContact CD1-CG1 4.2Å; Y539-V754 HydrophobicContact CD1-CG2 4.36Å; Y539-V754 WeakPolarHBondContact O-CA 3.3Å; M752-V754 HydrophobicContact CE-CB 4.06Å; M752-V754 HydrophobicContact CE-CG2 4.27Å; V754-V756 HydrophobicContact CG2-CG1 4.29Å; V754-L770 HydrophobicContact CG1-CD2 4.4Å; V754-A773 HydrophobicContact CB-CB 4.2Å; V754-A773 HydrophobicContact CG1-CB 3.89Å; V754-A773 HydrophobicContact CG2-CB 4.31Å
755	Q	96.1	Very high	89.8	Confident	2 Å²	2	23.5 Å²	23.5	1%	0.009	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	118.1	-174.4	-61.4	-74	-41.8	0	0	109	Y539 S544 G545 K546 T549 V753	Y539-Q755 PolarHBondContact O-N 3.11Å; S544-Q755 VanDerWaalsContact CB-O 3.23Å; S544-Q755 WeakPolarHBondContact CB-O 3.44Å; S544-Q755 VanDerWaalsContact OG-CB 3.26Å; S544-Q755 WeakPolarHBondContact OG-CB 3.04Å; S544-Q755 PolarHBondContact OG-O 3.5Å; G545-Q755 PolarHBondContact O-OE1 3.09Å; K546-Q755 HydrophobicContact CG-CB 4.21Å; K546-Q755 HydrophobicContact CG-CG 4.06Å; T549-Q755 PolarHBondContact OG1-NE2 3.48Å; T549-Q755 PolarHBondContact OG1-OE1 3.09Å; T549-Q755 VanDerWaalsContact OG1-OE1 3.09Å; V753-Q755 VanDerWaalsContact CG1-NE2 3.27Å
756	V	95.8	Very high	90.6	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	142.9	-175.1	-62.8	0	0	0	0	112.3	R463 V464 K465 V754 T766 L770	R463-V756 PolarHBondContact O-N 2.89Å; V464-V756 HydrophobicContact CB-CG2 4.36Å; V464-V756 HydrophobicContact CG1-CG2 4.48Å; V464-V756 HydrophobicContact CG2-CG2 3.99Å; K465-V756 PolarHBondContact N-O 2.87Å; V754-V756 HydrophobicContact CG2-CG1 4.29Å; V756-T766 HydrophobicContact CB-CG2 3.92Å; V756-T766 HydrophobicContact CG1-CG2 4.09Å; V756-L770 HydrophobicContact CG1-CD1 4.45Å; V756-L770 HydrophobicContact CG1-CD2 3.91Å; V756-L770 HydrophobicContact CG1-CG 3.97Å
757	S	92.5	Very high	91.6	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.014	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	138.6	169.4	178.9	0	0	0	0	109.6	L759 N762 T766	S757-L759 PolarHBondContact O-N 2.86Å; S757-L759 WeakPolarHBondContact OG-CB 3.43Å; S757-L759 WeakPolarHBondContact OG-CG 3.47Å; S757-L759 PolarHBondContact OG-N 3.49Å; S757-N762 PolarHBondContact OG-ND2 3.16Å; S757-N762 VanDerWaalsContact OG-ND2 3.09Å; S757-T766 PolarHBondContact N-OG1 3.18Å; S757-T766 PolarHBondContact O-OG1 2.72Å
758	A	90.9	Very high	92.5	Very high	4 Å²	4	15.4 Å²	15.4	3%	0.033	10%	0.098	C	C	.	.			trans	-77.8	-5.8	175.5	0	0	0	0	0	114	V464 V479 V480 V481	V464-A758 HydrophobicContact CG1-CB 3.84Å; V479-A758 CarbonylContact C-O 3.58Å; V479-A758 WeakPolarHBondContact CA-O 3.29Å; V479-A758 HydrophobicContact CG1-CB 4.24Å; V480-A758 WeakPolarHBondContact CG2-O 3.43Å; V480-A758 PolarHBondContact N-O 3.36Å; V481-A758 HydrophobicContact CB-CB 4.22Å
759	L	90.3	Very high	93	Very high	6 Å²	6	15.4 Å²	15.4	3%	0.031	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-89.7	142.5	-166.2	-55	168	0	0	0	112.7	V467 D471 Q477 S757 S761 N762 V763	V467-L759 HydrophobicContact CG1-CD2 4.21Å; V467-L759 HydrophobicContact CG2-CD2 3.85Å; D471-L759 HydrophobicContact CB-CD1 4.12Å; Q477-L759 VanDerWaalsContact OE1-CD1 3.29Å; Q477-L759 VanDerWaalsContact OE1-CD2 3.31Å; S757-L759 PolarHBondContact O-N 2.86Å; S757-L759 WeakPolarHBondContact OG-CB 3.43Å; S757-L759 WeakPolarHBondContact OG-CG 3.47Å; S757-L759 PolarHBondContact OG-N 3.49Å; L759-S761 VanDerWaalsContact C-N 3.31Å; L759-S761 PolarHBondContact O-N 3.4Å; L759-N762 PolarHBondContact O-N 3.46Å; L759-V763 PolarHBondContact O-N 2.89Å
760	E	88.8	Confident	93.2	Very high	89 Å²	89	15.3 Å²	15.3	42%	0.416	10%	0.097	S	C	.	.	G	3₁₀ helix	trans	-59.2	-37.7	-178.7	-171.7	153.4	-161.7	0	0	113.5	S478 V480 N762 V763	S478-E760 WeakPolarHBondContact CB-OE2 3.3Å; S478-E760 PolarHBondContact O-N 2.82Å; V480-E760 HydrophobicContact CG1-CB 3.66Å; V480-E760 HydrophobicContact CG1-CG 3.93Å; E760-N762 PolarHBondContact O-N 3.33Å; E760-V763 WeakPolarHBondContact O-CB 3.4Å; E760-V763 VanDerWaalsContact O-CG1 3.24Å; E760-V763 WeakPolarHBondContact O-CG1 3.49Å; E760-V763 PolarHBondContact O-N 3.21Å
761	S	87.1	Confident	93.3	Very high	62 Å²	62	19.2 Å²	19.2	43%	0.434	11%	0.114	S	C	.	.	G	3₁₀ helix	trans	-56.9	-19	175.1	57.1	0	0	0	0	114.3	K694 L759	K694-S761 PolarHBondContact NZ-O 2.93Å; K694-S761 VanDerWaalsContact NZ-O 3.09Å; L759-S761 VanDerWaalsContact C-N 3.31Å; L759-S761 PolarHBondContact O-N 3.4Å
762	N	89.6	Confident	93.2	Very high	27 Å²	27	19.5 Å²	19.5	14%	0.144	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-111.1	-2.2	-179.2	-69.9	-46	0	0	0	113.9	Q541 S757 L759 E760 G764 E765 T766	Q541-N762 PolarHBondContact NE2-OD1 2.89Å; Q541-N762 VanDerWaalsContact OE1-CB 3.31Å; Q541-N762 PolarHBondContact OE1-OD1 3.37Å; S757-N762 PolarHBondContact OG-ND2 3.16Å; S757-N762 VanDerWaalsContact OG-ND2 3.09Å; L759-N762 PolarHBondContact O-N 3.46Å; E760-N762 PolarHBondContact O-N 3.33Å; N762-G764 PolarHBondContact O-N 3.34Å; N762-E765 PolarHBondContact O-N 2.99Å; N762-T766 PolarHBondContact O-N 3Å
763	V	92	Very high	93.1	Very high	25 Å²	25	19.5 Å²	19.5	15%	0.152	12%	0.116	C	C	.	.	H	α-helix	trans	-52.2	-38.8	-172.3	73.9	0	0	0	0	113.7	V480 V493 L494 L759 E760 E765 L767	V480-V763 HydrophobicContact CG2-CB 4.06Å; V480-V763 HydrophobicContact CG2-CG2 3.91Å; V493-V763 HydrophobicContact CG1-CG2 3.76Å; L494-V763 VanDerWaalsContact O-CG2 3.3Å; L494-V763 WeakPolarHBondContact O-CG2 3.46Å; L759-V763 PolarHBondContact O-N 2.89Å; E760-V763 WeakPolarHBondContact O-CB 3.4Å; E760-V763 VanDerWaalsContact O-CG1 3.24Å; E760-V763 WeakPolarHBondContact O-CG1 3.49Å; E760-V763 PolarHBondContact O-N 3.21Å; V763-E765 PolarHBondContact O-N 3.31Å; V763-L767 HydrophobicContact CG2-CD1 4.32Å; V763-L767 VanDerWaalsContact O-CB 3.3Å; V763-L767 WeakPolarHBondContact O-CB 3.35Å; V763-L767 VanDerWaalsContact O-CG 3.24Å; V763-L767 WeakPolarHBondContact O-CG 3.36Å; V763-L767 PolarHBondContact O-N 3.46Å
764	G	91.3	Very high	92.8	Very high	43 Å²	43	23 Å²	23	44%	0.443	13%	0.132	S	C	.	.	H	α-helix	trans	-64.8	-36.5	179.7	0	0	0	0	0	113.9	N762 C768	N762-G764 PolarHBondContact O-N 3.34Å; G764-C768 PolarHBondContact O-N 3.17Å; G764-C768 VanDerWaalsContact O-N 3.16Å; G764-C768 PolarHBondContact O-SG 3.47Å
765	E	91.8	Very high	92.4	Very high	9 Å²	9	27.2 Å²	27.2	4%	0.042	15%	0.148	C	C	.	.	H	α-helix	trans	-88.8	-32.7	-179	-62.2	-65.3	-171.8	0	0	111.8	Q541 E690 R691 N762 V763 L767 C768 S769	Q541-E765 HydrophobicContact CB-CB 4.28Å; E690-E765 HydrophobicContact CB-CG 4.47Å; R691-E765 PolarHBondContact N-OE1 2.98Å; N762-E765 PolarHBondContact O-N 2.99Å; V763-E765 PolarHBondContact O-N 3.31Å; E765-L767 VanDerWaalsContact C-N 3.33Å; E765-C768 PolarHBondContact O-N 3.45Å; E765-S769 WeakPolarHBondContact O-CB 3.47Å; E765-S769 PolarHBondContact O-N 3.28Å; E765-S769 PolarHBondContact O-OG 2.93Å
766	T	94.1	Very high	92.2	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.012	15%	0.147	C	C	.	.	H	α-helix	trans	-55.9	-47.8	163.9	-76.2	0	0	0	0	110.4	V481 V493 V756 S757 N762 C768 S769 L770	V481-T766 HydrophobicContact CG2-CG2 4.04Å; V493-T766 HydrophobicContact CG1-CG2 4.29Å; V493-T766 HydrophobicContact CG2-CG2 4.14Å; V756-T766 HydrophobicContact CB-CG2 3.92Å; V756-T766 HydrophobicContact CG1-CG2 4.09Å; S757-T766 PolarHBondContact N-OG1 3.18Å; S757-T766 PolarHBondContact O-OG1 2.72Å; N762-T766 PolarHBondContact O-N 3Å; T766-C768 VanDerWaalsContact C-N 3.33Å; T766-C768 PolarHBondContact O-N 2.88Å; T766-S769 PolarHBondContact O-N 2.88Å; T766-L770 HydrophobicContact CG2-CD1 3.85Å; T766-L770 WeakPolarHBondContact O-CG 3.44Å; T766-L770 PolarHBondContact O-N 2.93Å
767	L	94.4	Very high	91.7	Very high	13 Å²	13	29 Å²	29	7%	0.068	16%	0.16	C	C	.	.	H	α-helix	trans	-64.6	-30	174.9	-76.3	175.8	0	0	0	114	V493 R500 F502 V763 E765 K771	V493-L767 HydrophobicContact CB-CD2 3.92Å; V493-L767 HydrophobicContact CG1-CD2 3.94Å; V493-L767 HydrophobicContact CG1-CG 4.09Å; V493-L767 HydrophobicContact CG2-CD2 4.45Å; R500-L767 HydrophobicContact CB-CD2 4.48Å; F502-L767 HydrophobicContact CE2-CD2 3.72Å; F502-L767 HydrophobicContact CZ-CD2 3.76Å; V763-L767 HydrophobicContact CG2-CD1 4.32Å; V763-L767 VanDerWaalsContact O-CB 3.3Å; V763-L767 WeakPolarHBondContact O-CB 3.35Å; V763-L767 VanDerWaalsContact O-CG 3.24Å; V763-L767 WeakPolarHBondContact O-CG 3.36Å; V763-L767 PolarHBondContact O-N 3.46Å; E765-L767 VanDerWaalsContact C-N 3.33Å; L767-K771 WeakPolarHBondContact O-CB 3.48Å; L767-K771 VanDerWaalsContact O-CD 3.24Å; L767-K771 WeakPolarHBondContact O-CD 3.5Å; L767-K771 WeakPolarHBondContact O-CG 3.26Å; L767-K771 PolarHBondContact O-N 3.15Å
768	C	93.2	Very high	91.3	Very high	32 Å²	32	35 Å²	35	22%	0.216	19%	0.186	C	C	.	.	H	α-helix	trans	-73.4	-40.6	173.8	-69.8	0	0	0	0	111.5	R691 G764 E765 T766 K771 F772	R691-C768 PolarHBondContact NH2-SG 3.27Å; G764-C768 PolarHBondContact O-N 3.17Å; G764-C768 VanDerWaalsContact O-N 3.16Å; G764-C768 PolarHBondContact O-SG 3.47Å; E765-C768 PolarHBondContact O-N 3.45Å; T766-C768 VanDerWaalsContact C-N 3.33Å; T766-C768 PolarHBondContact O-N 2.88Å; C768-K771 PolarHBondContact O-N 3.15Å; C768-F772 PolarHBondContact O-N 3.28Å; C768-F772 VanDerWaalsContact O-N 3.12Å
769	S	95.3	Very high	91	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.007	19%	0.187	C	C	.	.	H	α-helix	trans	-64.9	-46.2	179.5	-56.7	0	0	0	0	111.9	E765 T766 F772 A773	E765-S769 WeakPolarHBondContact O-CB 3.47Å; E765-S769 PolarHBondContact O-N 3.28Å; E765-S769 PolarHBondContact O-OG 2.93Å; T766-S769 PolarHBondContact O-N 2.88Å; S769-F772 WeakPolarHBondContact O-CB 3.47Å; S769-F772 PolarHBondContact O-N 3.39Å; S769-F772 VanDerWaalsContact O-N 3.08Å; S769-A773 PolarHBondContact O-N 3.43Å
770	L	95.6	Very high	90.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68.4	-35.9	178.4	-64.8	170.5	0	0	0	112.7	L491 V493 F502 L504 V754 V756 T766 F772 A773 Q774	L491-L770 HydrophobicContact CD1-CD1 3.73Å; L491-L770 HydrophobicContact CD1-CD2 3.96Å; L491-L770 HydrophobicContact CD2-CD2 4.15Å; L491-L770 HydrophobicContact CG-CD1 4.32Å; V493-L770 HydrophobicContact CG2-CD1 3.51Å; F502-L770 HydrophobicContact CD1-CB 3.71Å; F502-L770 HydrophobicContact CD2-CB 4.09Å; F502-L770 HydrophobicContact CD2-CD1 3.81Å; F502-L770 HydrophobicContact CE1-CB 3.73Å; F502-L770 HydrophobicContact CE2-CB 4.11Å; F502-L770 HydrophobicContact CE2-CD1 3.98Å; F502-L770 HydrophobicContact CG-CB 3.89Å; F502-L770 HydrophobicContact CG-CD1 4.27Å; F502-L770 HydrophobicContact CZ-CB 3.93Å; L504-L770 HydrophobicContact CD1-CD2 4.01Å; V754-L770 HydrophobicContact CG1-CD2 4.4Å; V756-L770 HydrophobicContact CG1-CD1 4.45Å; V756-L770 HydrophobicContact CG1-CD2 3.91Å; V756-L770 HydrophobicContact CG1-CG 3.97Å; T766-L770 HydrophobicContact CG2-CD1 3.85Å; T766-L770 WeakPolarHBondContact O-CG 3.44Å; T766-L770 PolarHBondContact O-N 2.93Å; L770-F772 PolarHBondContact O-N 2.89Å; L770-A773 PolarHBondContact O-N 2.92Å; L770-Q774 WeakPolarHBondContact O-CB 3.37Å; L770-Q774 PolarHBondContact O-N 3.42Å
771	K	94	Very high	89.4	Confident	86 Å²	86	37.5 Å²	37.5	37%	0.374	20%	0.198	S	C	.	.	H	α-helix	trans	-64.3	-26.1	170.2	-75.3	170.7	-169	169.2	0	113.1	F502 L767 C768 R775	F502-K771 HydrophobicContact CE1-CG 4.02Å; F502-K771 HydrophobicContact CZ-CG 4.38Å; L767-K771 WeakPolarHBondContact O-CB 3.48Å; L767-K771 VanDerWaalsContact O-CD 3.24Å; L767-K771 WeakPolarHBondContact O-CD 3.5Å; L767-K771 WeakPolarHBondContact O-CG 3.26Å; L767-K771 PolarHBondContact O-N 3.15Å; C768-K771 PolarHBondContact O-N 3.15Å; K771-R775 WeakPolarHBondContact O-CG 3.48Å; K771-R775 PolarHBondContact O-NH1 3.18Å
772	F	93	Very high	88.2	Confident	6 Å²	6	36.2 Å²	36.2	3%	0.026	20%	0.195	C	C	.	.	H	α-helix	trans	-78.9	-48.3	173.2	178.2	-126.3	0	0	0	110.9	Y539 L715 I719 M752 C768 S769 L770 Q774 R775 V776	Y539-F772 AromaticContact CD1-CD1 3.93Å; Y539-F772 HydrophobicContact CD1-CD1 3.93Å; Y539-F772 HydrophobicContact CD1-CE1 4.46Å; Y539-F772 AromaticContact CD2-CD1 3.9Å; Y539-F772 HydrophobicContact CD2-CD1 3.9Å; Y539-F772 AromaticContact CD2-CE1 3.67Å; Y539-F772 HydrophobicContact CD2-CE1 3.67Å; Y539-F772 HydrophobicContact CE1-CB 4.49Å; Y539-F772 AromaticContact CE1-CD1 3.63Å; Y539-F772 HydrophobicContact CE1-CD1 3.63Å; Y539-F772 HydrophobicContact CE1-CE1 4.38Å; Y539-F772 HydrophobicContact CE1-CG 4.48Å; Y539-F772 AromaticContact CE2-CD1 3.54Å; Y539-F772 HydrophobicContact CE2-CD1 3.54Å; Y539-F772 AromaticContact CE2-CE1 3.52Å; Y539-F772 HydrophobicContact CE2-CE1 3.52Å; Y539-F772 HydrophobicContact CG-CD1 4.09Å; Y539-F772 HydrophobicContact CG-CE1 4.15Å; Y539-F772 AromaticContact CZ-CD1 3.41Å; Y539-F772 VanDerWaalsContact CZ-CD1 3.41Å; Y539-F772 AromaticContact CZ-CE1 3.92Å; L715-F772 HydrophobicContact CG-CZ 4.32Å; I719-F772 HydrophobicContact CB-CE2 4.19Å; I719-F772 HydrophobicContact CG1-CE2 4.19Å; I719-F772 HydrophobicContact CG1-CZ 4.15Å; I719-F772 HydrophobicContact CG2-CE2 4.1Å; M752-F772 HydrophobicContact CE-CD1 3.41Å; M752-F772 VanDerWaalsContact CE-CD1 3.41Å; M752-F772 HydrophobicContact CE-CE1 3.65Å; M752-F772 HydrophobicContact CE-CG 4.41Å; M752-F772 HydrophobicContact SD-CD1 4.42Å; M752-F772 HydrophobicContact SD-CE1 4.3Å; C768-F772 PolarHBondContact O-N 3.28Å; C768-F772 VanDerWaalsContact O-N 3.12Å; S769-F772 WeakPolarHBondContact O-CB 3.47Å; S769-F772 PolarHBondContact O-N 3.39Å; S769-F772 VanDerWaalsContact O-N 3.08Å; L770-F772 PolarHBondContact O-N 2.89Å; F772-Q774 VanDerWaalsContact C-N 3.3Å; F772-Q774 PolarHBondContact O-N 3.45Å; F772-R775 WeakPolarHBondContact O-CA 3.37Å; F772-R775 WeakPolarHBondContact O-CB 3.44Å; F772-R775 PolarHBondContact O-N 2.7Å; F772-V776 HydrophobicContact CD2-CG2 4.2Å; F772-V776 HydrophobicContact CE1-CG2 4.19Å; F772-V776 HydrophobicContact CE2-CG2 3.8Å; F772-V776 HydrophobicContact CZ-CG2 3.8Å; F772-V776 WeakPolarHBondContact O-CG2 3.37Å; F772-V776 PolarHBondContact O-N 3.1Å; F772-V776 VanDerWaalsContact O-N 3.1Å
773	A	94.3	Very high	86.9	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-47.9	-49.9	172.3	0	0	0	0	0	112.4	V460 L504 M752 V754 S769 L770 R775 V776 C777	V460-A773 HydrophobicContact CG1-CB 3.66Å; L504-A773 HydrophobicContact CD1-CB 4.26Å; L504-A773 HydrophobicContact CD2-CB 3.76Å; M752-A773 HydrophobicContact CE-CB 4.34Å; M752-A773 HydrophobicContact SD-CB 4.5Å; V754-A773 HydrophobicContact CB-CB 4.2Å; V754-A773 HydrophobicContact CG1-CB 3.89Å; V754-A773 HydrophobicContact CG2-CB 4.31Å; S769-A773 PolarHBondContact O-N 3.43Å; L770-A773 PolarHBondContact O-N 2.92Å; A773-R775 PolarHBondContact O-N 2.96Å; A773-R775 VanDerWaalsContact O-N 3.16Å; A773-V776 WeakPolarHBondContact O-CA 3.49Å; A773-V776 WeakPolarHBondContact O-CB 3.4Å; A773-V776 PolarHBondContact O-N 3.42Å; A773-C777 PolarHBondContact O-N 3.13Å; A773-C777 PolarHBondContact O-SG 3.24Å
774	Q	91.1	Very high	85.6	Confident	72 Å²	72	39.1 Å²	39.1	34%	0.336	22%	0.217	S	C	.	.	H	α-helix	trans	-67.3	-14.3	178.7	-156.7	-172.1	25.7	0	0	114.5	L770 F772	L770-Q774 WeakPolarHBondContact O-CB 3.37Å; L770-Q774 PolarHBondContact O-N 3.42Å; F772-Q774 VanDerWaalsContact C-N 3.3Å; F772-Q774 PolarHBondContact O-N 3.45Å
775	R	90	Very high	84.3	Confident	89 Å²	89	40 Å²	40	34%	0.336	22%	0.219	S	C	.	.	H	α-helix	trans	-84.1	-33.9	167.2	-66.9	-167.8	-51.6	-86	18.6	111.7	K771 F772 A773 K778	K771-R775 WeakPolarHBondContact O-CG 3.48Å; K771-R775 PolarHBondContact O-NH1 3.18Å; F772-R775 WeakPolarHBondContact O-CA 3.37Å; F772-R775 WeakPolarHBondContact O-CB 3.44Å; F772-R775 PolarHBondContact O-N 2.7Å; A773-R775 PolarHBondContact O-N 2.96Å; A773-R775 VanDerWaalsContact O-N 3.16Å; R775-K778 PolarHBondContact O-N 2.94Å
776	V	90.8	Very high	83.5	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-70.8	-39.4	179.3	178	0	0	0	0	111.4	I458 V460 I719 M752 F772 A773 K778 V779	I458-V776 HydrophobicContact CG2-CG1 3.47Å; I458-V776 VanDerWaalsContact CG2-CG1 3.47Å; V460-V776 HydrophobicContact CG2-CB 3.82Å; V460-V776 HydrophobicContact CG2-CG1 3.55Å; I719-V776 HydrophobicContact CD1-CG1 4.35Å; I719-V776 HydrophobicContact CD1-CG2 4.09Å; I719-V776 HydrophobicContact CG1-CG2 4.08Å; I719-V776 HydrophobicContact CG2-CG2 3.73Å; M752-V776 HydrophobicContact CB-CG1 4.35Å; M752-V776 HydrophobicContact SD-CB 3.93Å; M752-V776 HydrophobicContact SD-CG1 3.98Å; M752-V776 HydrophobicContact SD-CG2 3.75Å; F772-V776 HydrophobicContact CD2-CG2 4.2Å; F772-V776 HydrophobicContact CE1-CG2 4.19Å; F772-V776 HydrophobicContact CE2-CG2 3.8Å; F772-V776 HydrophobicContact CZ-CG2 3.8Å; F772-V776 WeakPolarHBondContact O-CG2 3.37Å; F772-V776 PolarHBondContact O-N 3.1Å; F772-V776 VanDerWaalsContact O-N 3.1Å; A773-V776 WeakPolarHBondContact O-CA 3.49Å; A773-V776 WeakPolarHBondContact O-CB 3.4Å; A773-V776 PolarHBondContact O-N 3.42Å; V776-K778 PolarHBondContact O-N 3.48Å; V776-V779 PolarHBondContact O-N 3.36Å
777	C	86.6	Confident	82.5	Confident	42 Å²	42	46.2 Å²	46.2	28%	0.284	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-13	172.2	-61.8	0	0	0	0	114.6	V460 L504 D505 A773	V460-C777 VanDerWaalsContact CB-SG 3.5Å; V460-C777 HydrophobicContact CG2-CB 4.43Å; V460-C777 WeakPolarHBondContact CG2-SG 3.46Å; L504-C777 VanDerWaalsContact CD2-SG 3.51Å; D505-C777 PolarHBondContact OD2-SG 2.94Å; D505-C777 VanDerWaalsContact OD2-SG 3.38Å; A773-C777 PolarHBondContact O-N 3.13Å; A773-C777 PolarHBondContact O-SG 3.24Å
778	K	84.1	Confident	81.5	Confident	128 Å²	128	49.6 Å²	49.6	56%	0.557	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	26.6	-176.4	-57.1	-170.2	-177.2	-162	0	112	R723 R775 V776	R723-K778 WeakPolarHBondContact CG-O 3.31Å; R775-K778 PolarHBondContact O-N 2.94Å; V776-K778 PolarHBondContact O-N 3.48Å
779	V	83.6	Confident	80.6	Confident	8 Å²	8	53.9 Å²	53.9	5%	0.048	28%	0.279	C	S	.	.			trans	-113.4	126.6	176.5	-174.3	0	0	0	0	109.5	I458 I719 L722 R723 V776 L781	I458-V779 HydrophobicContact CD1-CB 3.64Å; I458-V779 HydrophobicContact CD1-CG1 3.49Å; I458-V779 VanDerWaalsContact CD1-CG1 3.49Å; I719-V779 HydrophobicContact CD1-CG2 4.38Å; I719-V779 HydrophobicContact CG2-CG2 4.02Å; L722-V779 HydrophobicContact CB-CG1 3.55Å; L722-V779 HydrophobicContact CD1-CG1 4.5Å; R723-V779 HydrophobicContact CB-CG2 3.99Å; V776-V779 PolarHBondContact O-N 3.36Å; V779-L781 HydrophobicContact CG1-CD2 4.19Å
780	E	76.8	Confident	78.7	Confident	134 Å²	134	59 Å²	59	63%	0.626	31%	0.314	S	S	*	.			trans	-115.1	116	177.9	-62.3	166.2	147.7	0	0	109.4	R725 G782	R725-E780 IonicContact CZ-OE2 3.67Å; R725-E780 IonicContact NE-OE2 2.73Å; R725-E780 IonicContact NH2-OE2 3.68Å; R725-E780 PolarHBondContact NH2-OE2 2.9Å; E780-G782 VanDerWaalsContact C-N 3.31Å; E780-G782 PolarHBondContact O-N 3.48Å
781	L	68.6	Low	76.1	Confident	8 Å²	8	61.1 Å²	61.1	4%	0.042	34%	0.337	C	S	.	.			trans	-83.5	-3.6	-177.6	-62.5	179.1	0	0	0	114.1	N457 I458 L722 L744 G745 K746 V779	N457-L781 HydrophobicContact CB-CB 4.36Å; I458-L781 HydrophobicContact CD1-CD1 3.73Å; I458-L781 HydrophobicContact CD1-CD2 3.83Å; I458-L781 HydrophobicContact CD1-CG 3.63Å; I458-L781 HydrophobicContact CG1-CD1 3.65Å; I458-L781 HydrophobicContact CG1-CG 3.94Å; L722-L781 HydrophobicContact CD1-CD2 4.41Å; L722-L781 HydrophobicContact CD2-CD2 4.33Å; L744-L781 WeakPolarHBondContact O-CD2 3.42Å; G745-L781 WeakPolarHBondContact O-CD1 3.29Å; K746-L781 WeakPolarHBondContact CA-O 3.4Å; K746-L781 WeakPolarHBondContact CG-O 3.47Å; V779-L781 HydrophobicContact CG1-CD2 4.19Å
782	G	63	Low	73.3	Confident	36 Å²	36	61.3 Å²	61.3	37%	0.371	36%	0.363	S	S	.	.			trans	74.6	178.7	-163.9	0	0	0	0	0	112.2	N457 E780	N457-G782 PolarHBondContact ND2-O 2.96Å; E780-G782 VanDerWaalsContact C-N 3.31Å; E780-G782 PolarHBondContact O-N 3.48Å
783	P	61	Low	70.6	Confident	95 Å²	95	63.8 Å²	63.8	62%	0.617	39%	0.39	S	S	*	.	S	Bend	trans	-61.1	150.3	-174.2	24.6	-35.2	0	0	0	113.2	E453 G747	E453-P783 WeakPolarHBondContact OE1-CA 3.31Å; E453-P783 WeakPolarHBondContact OE1-CB 3.32Å; G747-P783 WeakPolarHBondContact CA-O 3.4Å
784	A	64.7	Low	67.6	Low	18 Å²	18	71.8 Å²	71.8	15%	0.149	43%	0.428	C	S	.	.			trans	-72.4	139.6	-179.9	0	0	0	0	0	111.5	E449 Y532 K749	E449-A784 WeakPolarHBondContact OE1-CB 3.38Å; Y532-A784 HydrophobicContact CD1-CB 3.93Å; Y532-A784 HydrophobicContact CE1-CB 3.91Å; K749-A784 HydrophobicContact CG-CB 4.19Å
785	A	65.1	Low	64.8	Low	60 Å²	60	73 Å²	73	50%	0.496	44%	0.443	S	S	.	.			trans	-115.9	118.9	-172.8	0	0	0	0	0	111	G747	G747-A785 PolarHBondContact O-N 3.2Å
786	R	74.1	Confident	62.2	Low	64 Å²	64	74.3 Å²	74.3	24%	0.242	46%	0.457	C	S	.	.			trans	-84.8	128.8	179.5	-166.2	177.6	-174.3	-129.8	0.7	110.3	D530 Y532 I788	D530-R786 PolarHBondContact O-NE 2.88Å; D530-R786 PolarHBondContact O-NH2 3.47Å; Y532-R786 HydrophobicContact CD1-CB 4.32Å; Y532-R786 HydrophobicContact CD2-CG 4.48Å; Y532-R786 HydrophobicContact CE1-CB 3.79Å; Y532-R786 HydrophobicContact CE1-CG 4.49Å; Y532-R786 HydrophobicContact CE2-CB 4.23Å; Y532-R786 HydrophobicContact CE2-CG 4.07Å; R786-I788 HydrophobicContact CB-CG1 4.47Å; R786-I788 HydrophobicContact CG-CD1 4.44Å; R786-I788 HydrophobicContact CG-CG1 3.97Å; R786-I788 PolarHBondContact O-N 3.15Å
787	K	72.3	Confident	59.7	Low	78 Å²	78	85.3 Å²	85.3	34%	0.339	50%	0.499	S	S	.	.			trans	-85.1	110.3	171.3	-77.3	-176.5	178	162.9	0	109.9	G531 H533 Q616 T677 T678	G531-K787 PolarHBondContact O-N 2.88Å; G531-K787 VanDerWaalsContact O-N 3.11Å; H533-K787 PolarHBondContact NE2-NZ 3.46Å; Q616-K787 VanDerWaalsContact CD-NZ 3.31Å; T677-K787 VanDerWaalsContact CA-O 3.28Å; T677-K787 WeakPolarHBondContact CA-O 3.13Å; T678-K787 PolarHBondContact N-O 2.83Å
788	I	74.8	Confident	57	Low	85 Å²	85	93.5 Å²	93.5	44%	0.436	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.8	173.4	-46.5	176.3	0	0	0	108	K676 T677 R786	K676-I788 CarbonylContact O-C 3.58Å; K676-I788 WeakPolarHBondContact O-CA 3.35Å; T677-I788 HydrophobicContact CG2-CG1 4.33Å; T677-I788 HydrophobicContact CG2-CG2 4.48Å; R786-I788 HydrophobicContact CB-CG1 4.47Å; R786-I788 HydrophobicContact CG-CD1 4.44Å; R786-I788 HydrophobicContact CG-CG1 3.97Å; R786-I788 PolarHBondContact O-N 3.15Å
789	E	73.6	Confident	54.7	Low	121 Å²	121	96.9 Å²	96.9	57%	0.565	56%	0.558	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-104.5	114.6	162.9	-73.7	168.4	-161.6	0	0	107.8	K676 G791	K676-E789 HydrophobicContact CB-CB 4.2Å; K676-E789 PolarHBondContact N-O 3.34Å; K676-E789 PolarHBondContact O-N 3.27Å; E789-G791 PolarHBondContact O-N 3.45Å
790	S	54.6	Low	53.3	Low	108 Å²	108	101.3 Å²	101.3	76%	0.755	58%	0.584	S	S	*	*			trans	-66.7	120.7	173	-59.6	0	0	0	0	109.2	G792	S790-G792 PolarHBondContact O-N 3.38Å
791	G	41.4	Very low	52.1	Low	46 Å²	46	99.6 Å²	99.6	47%	0.474	58%	0.581	S	S	.	*			trans	-61.7	125	172.1	0	0	0	0	0	110.1	E789 G793	E789-G791 PolarHBondContact O-N 3.45Å; G791-G793 PolarHBondContact O-N 3.1Å
792	G	36.2	Very low	51.1	Low	90 Å²	90	104.7 Å²	104.7	93%	0.928	61%	0.611	S	S	*	*			trans	-71.5	48.6	176.2	0	0	0	0	0	113.5	S790 Q794	S790-G792 PolarHBondContact O-N 3.38Å; G792-Q794 PolarHBondContact O-N 3.41Å
793	G	35.8	Very low	50.4	Low	58 Å²	58	108.7 Å²	108.7	60%	0.598	63%	0.626	S	S	*	*			trans	-84.2	89.8	177.7	0	0	0	0	0	110.8	G791 C795	G791-G793 PolarHBondContact O-N 3.1Å; G793-C795 PolarHBondContact O-N 3.19Å
794	Q	31.2	Very low	49.8	Very low	167 Å²	167	109.6 Å²	109.6	78%	0.78	63%	0.626	S	S	*	*			trans	-72.7	77.8	168.9	-173.4	172.9	-20.8	0	0	109.7	G792 D796	G792-Q794 PolarHBondContact O-N 3.41Å; Q794-D796 VanDerWaalsContact C-N 3.31Å; Q794-D796 PolarHBondContact NE2-OD2 2.86Å; Q794-D796 VanDerWaalsContact NE2-OD2 3.13Å; Q794-D796 PolarHBondContact O-N 3.17Å
795	C	33	Very low	48.8	Very low	99 Å²	99	115.7 Å²	115.7	67%	0.669	66%	0.658	S	S	*	*			trans	-77.6	78.4	178.5	-70.2	0	0	0	0	110.6	G793 W797	G793-C795 PolarHBondContact O-N 3.19Å; C795-W797 VanDerWaalsContact C-N 3.29Å; C795-W797 PolarHBondContact O-N 3.21Å
796	D	35.7	Very low	47.6	Very low	115 Å²	115	119.6 Å²	119.6	62%	0.615	67%	0.67	S	S	*	*			trans	-64.9	85.8	170.1	-93.5	-57.4	0	0	0	110.8	Q794	Q794-D796 VanDerWaalsContact C-N 3.31Å; Q794-D796 PolarHBondContact NE2-OD2 2.86Å; Q794-D796 VanDerWaalsContact NE2-OD2 3.13Å; Q794-D796 PolarHBondContact O-N 3.17Å
797	W	36.5	Very low	45.6	Very low	232 Å²	232	123.9 Å²	123.9	88%	0.879	70%	0.702	S	S	*	*			trans	-110.1	83	166	-72.4	102.4	0	0	0	109.6	C795	C795-W797 VanDerWaalsContact C-N 3.29Å; C795-W797 PolarHBondContact O-N 3.21Å
798	R	29.9	Very low	43.4	Very low	214 Å²	214	127.8 Å²	127.8	81%	0.808	73%	0.733	S	S	*	*			trans	-87.5	140.4	160.1	-67.5	-170.9	179.9	-145.9	1.3	109.8
799	P	37.6	Very low	40.5	Very low	198 Å²	198	131.6 Å²	131.6	100%	1.286	76%	0.76	S	S	*	*			trans	-63.9	0	148.7	-12.7	29.5	0	0	0	111.3

Retrieved 799 of 799 residues in 226.1 ms (Link to these results)

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