A0A077ZGV2_TRITR Loading...

Protein FAM91A1

AlphaFold DB , UniProt , Accession A0A077ZGV2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 821 aa.

						>A0A077ZGV2_TRITR|A0A077ZGV2
MVAGASDAMDNLDLGMSTHSEEVEAFIREKCPWTKLPKHIKQVKKVLDSVRLAIQTLSLQLLGNSAKEYEKLIMEYSVKNQIRYRTGLGMRNLSTIREIRDNEEHYYELMLGYSRNHLMLFPYHLSDVVVKGLRVTPFQYYRQMMEDLMIQEKSYDTLPNFTAADCLRLLGIGRNQYINLMNQCRSLKKSSSKKAIRDLLPRIPVRFDIQSWWLVETGSLLEDDIVDLNAEEKALIDYLIDRGPSPVANFDIEAVQALYARGLIYFDVPVSKNDCVVVPTLDGFVMNRVTGDYFETVMYKVFVSIDQNTTVEELAHVLQLDVNLVQNAVSVFYQLGFAHRKNQNNSTDSISNRSWGDFKESKDNGNLIDLSSALVTSIQERLPSMEDSLFDSEDNVSELVALSADSSEAKKIALLFDSSLTAFLMMGNLSSSLKCHAVTLFEVGKLGGQSLDSLLLELEKVQNAGSVDLTLHTQYIRVLQKTIRFLRSIADLDLIRCESLMGLDRAARIRLLTKNYRIILSIAPLNVEACAVDSSMIAHLGPLTSEATTAWFQLFLYSRVGDGPLSLLLMKGYRLKRLPQPFKRYSSVLVTSWGTQDPSILRTSNCLVVINELLLHSAVFLQGLNCEAENMQVVHIPFPRDPIEASNPERLRGPLEEHPVVDRAVRYLQLNNLCGYITLILVGNSSVQSVQNAVEKSDDLFGKASLSHKDPRKLPAAYPCDAEQEYANWALFDCVFGLPLFNFDLNDQVCGRLASFQLLNSDKADSLRNLSSTLAQQFRKFVAEFQYLNEDRSEELQSAVESPYPRRNVSFINGTASCWNA
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33	Very low	29.2	Very low	245 Å²	245	116.2 Å²	116.2	100%	1.207	72%	0.722	S	S	*	*				0	29.7	0	-73.2	-179.4	169.5	0	0	112.3
2	V	32.6	Very low	29	Very low	143 Å²	143	112.9 Å²	112.9	87%	0.867	70%	0.695	S	S	*	*			trans	-104.5	-0.6	-170	-177.6	0	0	0	0	112.9
3	A	30.8	Very low	29.2	Very low	102 Å²	102	113.4 Å²	113.4	84%	0.843	69%	0.691	S	S	*	*	S	Bend	trans	-94.7	4	-174.4	0	0	0	0	0	115.1
4	G	29	Very low	29.2	Very low	72 Å²	72	112.4 Å²	112.4	74%	0.742	68%	0.679	S	S	*	*	S	Bend	trans	-106.7	13.5	-173.4	0	0	0	0	0	115.8
5	A	28.7	Very low	29.2	Very low	70 Å²	70	106.5 Å²	106.5	58%	0.579	65%	0.649	S	S	*	*	S	Bend	trans	-106.6	-12	-170.5	0	0	0	0	0	115.3
6	S	29.5	Very low	29.3	Very low	80 Å²	80	105.7 Å²	105.7	56%	0.559	64%	0.638	S	S	*	*	S	Bend	trans	-76.3	-43.1	179.6	62.3	0	0	0	0	112.5	A8 M9	S6-A8 PolarHBondContact O-N 3.27Å; S6-A8 VanDerWaalsContact O-N 3.07Å; S6-M9 PolarHBondContact O-N 3.29Å
7	D	29	Very low	30	Very low	125 Å²	125	102 Å²	102	67%	0.668	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-11.9	-173.6	-65.1	2	0	0	0	113.5
8	A	28.4	Very low	31	Very low	58 Å²	58	99.7 Å²	99.7	48%	0.479	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.3	-20.5	173.5	0	0	0	0	0	112.9	S6 L12	S6-A8 PolarHBondContact O-N 3.27Å; S6-A8 VanDerWaalsContact O-N 3.07Å; A8-L12 VanDerWaalsContact O-CD1 3.3Å; A8-L12 WeakPolarHBondContact O-CD1 3.47Å
9	M	25.5	Very low	32.1	Very low	128 Å²	128	98.1 Å²	98.1	63%	0.631	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-33.4	-178.5	-68	-155.3	86.6	0	0	113.1	S6 N11 L12	S6-M9 PolarHBondContact O-N 3.29Å; M9-N11 VanDerWaalsContact C-N 3.32Å; M9-N11 PolarHBondContact O-N 3.35Å; M9-L12 WeakPolarHBondContact O-CB 3.44Å; M9-L12 PolarHBondContact O-N 3.42Å; M9-L12 VanDerWaalsContact O-N 3.12Å
10	D	28.3	Very low	33.5	Very low	131 Å²	131	95.4 Å²	95.4	70%	0.701	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-27.1	-177.5	-64.6	-15.8	0	0	0	112.5	L12	D10-L12 VanDerWaalsContact C-N 3.3Å; D10-L12 PolarHBondContact O-N 3.37Å
11	N	26.3	Very low	35	Very low	124 Å²	124	95.3 Å²	95.3	66%	0.663	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-6.3	173.3	-75.3	-61.8	0	0	0	113.8	M9	M9-N11 VanDerWaalsContact C-N 3.32Å; M9-N11 PolarHBondContact O-N 3.35Å
12	L	27.2	Very low	36.8	Very low	77 Å²	77	87.5 Å²	87.5	40%	0.403	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-28.8	-178.2	-92	155	0	0	0	112.9	A8 M9 D10 L14 I54	A8-L12 VanDerWaalsContact O-CD1 3.3Å; A8-L12 WeakPolarHBondContact O-CD1 3.47Å; M9-L12 WeakPolarHBondContact O-CB 3.44Å; M9-L12 PolarHBondContact O-N 3.42Å; M9-L12 VanDerWaalsContact O-N 3.12Å; D10-L12 VanDerWaalsContact C-N 3.3Å; D10-L12 PolarHBondContact O-N 3.37Å; L12-L14 PolarHBondContact O-N 3.42Å; L12-I54 HydrophobicContact CD2-CG2 3.76Å
13	D	30.6	Very low	38.6	Very low	119 Å²	119	81 Å²	81	64%	0.636	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-27.6	-175.6	-90.5	-19.8	0	0	0	113.7	G15 M16 S17	D13-G15 PolarHBondContact O-N 3.43Å; D13-M16 PolarHBondContact O-N 2.83Å; D13-S17 PolarHBondContact O-N 3.22Å
14	L	29.3	Very low	40.6	Very low	100 Å²	100	78.9 Å²	78.9	52%	0.524	46%	0.462	S	S	.	.	H	α-helix	trans	-61.8	-28.5	179.4	-78.2	156.5	0	0	0	113.8	L12 S17	L12-L14 PolarHBondContact O-N 3.42Å; L14-S17 PolarHBondContact O-OG 3.42Å
15	G	29.4	Very low	42.8	Very low	23 Å²	23	76.9 Å²	76.9	24%	0.237	44%	0.439	C	S	.	.	H	α-helix	trans	-89	-18.5	-179.3	0	0	0	0	0	114.4	D13 S58	D13-G15 PolarHBondContact O-N 3.43Å; G15-S58 VanDerWaalsContact C-OG 3.28Å; G15-S58 PolarHBondContact O-OG 3.05Å
16	M	31.3	Very low	44.9	Very low	94 Å²	94	75.8 Å²	75.8	46%	0.463	42%	0.421	S	S	.	.	H	α-helix	trans	-84.3	-40.8	178.4	-76.5	-88.5	-62.5	0	0	111	D13 S20	D13-M16 PolarHBondContact O-N 2.83Å; M16-S20 PolarHBondContact O-N 2.72Å
17	S	40.7	Very low	46.9	Very low	43 Å²	43	72.7 Å²	72.7	30%	0.301	40%	0.398	S	S	.	.	H	α-helix	trans	-63	-48	-178.1	61.7	0	0	0	0	111.9	D13 L14 H19 S20 E21	D13-S17 PolarHBondContact O-N 3.22Å; L14-S17 PolarHBondContact O-OG 3.42Å; S17-H19 PolarHBondContact O-N 2.97Å; S17-S20 PolarHBondContact O-N 2.91Å; S17-S20 VanDerWaalsContact O-N 3.15Å; S17-E21 WeakPolarHBondContact O-CB 2.93Å; S17-E21 VanDerWaalsContact O-CG 3.31Å; S17-E21 WeakPolarHBondContact O-CG 3.42Å; S17-E21 PolarHBondContact O-N 2.93Å
18	T	47.9	Very low	49	Very low	61 Å²	61	74.3 Å²	74.3	37%	0.374	40%	0.395	S	S	.	.	H	α-helix	trans	-58.8	-45.8	-174.2	51	0	0	0	0	113.6	E21 E22	T18-E21 PolarHBondContact O-N 3.07Å; T18-E22 WeakPolarHBondContact O-CG 3.33Å; T18-E22 PolarHBondContact O-N 2.87Å
19	H	52.5	Low	51.1	Low	68 Å²	68	78.1 Å²	78.1	32%	0.315	40%	0.403	S	S	.	.	H	α-helix	trans	-73.9	-33.1	178.2	-76.3	-37.3	0	0	0	113.1	S17 E21 E22 V23	S17-H19 PolarHBondContact O-N 2.97Å; H19-E21 VanDerWaalsContact C-N 3.35Å; H19-E22 IonicContact CE1-OE2 3.6Å; H19-E22 IonicContact ND1-OE2 3Å; H19-E22 PolarHBondContact ND1-OE2 2.81Å; H19-V23 VanDerWaalsContact O-CG2 3.26Å; H19-V23 WeakPolarHBondContact O-CG2 3.36Å; H19-V23 PolarHBondContact O-N 3.01Å; H19-V23 VanDerWaalsContact O-N 3.08Å
20	S	60.1	Low	53.2	Low	45 Å²	45	78.2 Å²	78.2	32%	0.315	40%	0.4	S	S	.	.	H	α-helix	trans	-63	-45.3	172.8	-168.9	0	0	0	0	110.4	M16 S17 V23 E24	M16-S20 PolarHBondContact O-N 2.72Å; S17-S20 PolarHBondContact O-N 2.91Å; S17-S20 VanDerWaalsContact O-N 3.15Å; S20-V23 PolarHBondContact O-N 3.11Å; S20-E24 WeakPolarHBondContact O-CG 3.46Å; S20-E24 PolarHBondContact O-N 3.12Å
21	E	65	Low	55.4	Low	94 Å²	94	72.8 Å²	72.8	44%	0.439	37%	0.372	S	S	.	.	H	α-helix	trans	-64.1	-42	177.5	-73.7	170.6	-162.6	0	0	112.7	S17 T18 H19 V23 E24 A25	S17-E21 WeakPolarHBondContact O-CB 2.93Å; S17-E21 VanDerWaalsContact O-CG 3.31Å; S17-E21 WeakPolarHBondContact O-CG 3.42Å; S17-E21 PolarHBondContact O-N 2.93Å; T18-E21 PolarHBondContact O-N 3.07Å; H19-E21 VanDerWaalsContact C-N 3.35Å; E21-V23 VanDerWaalsContact C-N 3.34Å; E21-V23 PolarHBondContact O-N 2.85Å; E21-E24 PolarHBondContact O-N 3.32Å; E21-A25 WeakPolarHBondContact O-CB 3.35Å; E21-A25 PolarHBondContact O-N 3.06Å
22	E	70.4	Confident	57.4	Low	81 Å²	81	68.7 Å²	68.7	38%	0.379	35%	0.352	S	S	.	.	H	α-helix	trans	-58.5	-47.3	173.6	-81	-179.3	164.7	0	0	110.9	T18 H19 A25 F26	T18-E22 WeakPolarHBondContact O-CG 3.33Å; T18-E22 PolarHBondContact O-N 2.87Å; H19-E22 IonicContact CE1-OE2 3.6Å; H19-E22 IonicContact ND1-OE2 3Å; H19-E22 PolarHBondContact ND1-OE2 2.81Å; E22-A25 WeakPolarHBondContact O-CB 3.15Å; E22-A25 PolarHBondContact O-N 3.46Å; E22-F26 WeakPolarHBondContact O-CD2 3.39Å; E22-F26 PolarHBondContact O-N 2.98Å; E22-F26 VanDerWaalsContact O-N 3.16Å
23	V	70.3	Confident	59.5	Low	7 Å²	7	67.1 Å²	67.1	4%	0.042	34%	0.341	C	S	.	.	H	α-helix	trans	-62.9	-44.6	177.7	175.7	0	0	0	0	110.6	H19 S20 E21 A25 F26 I27 I40 L61 L62 Y69 L72	H19-V23 VanDerWaalsContact O-CG2 3.26Å; H19-V23 WeakPolarHBondContact O-CG2 3.36Å; H19-V23 PolarHBondContact O-N 3.01Å; H19-V23 VanDerWaalsContact O-N 3.08Å; S20-V23 PolarHBondContact O-N 3.11Å; E21-V23 VanDerWaalsContact C-N 3.34Å; E21-V23 PolarHBondContact O-N 2.85Å; V23-A25 VanDerWaalsContact C-N 3.27Å; V23-A25 PolarHBondContact O-N 3.15Å; V23-F26 PolarHBondContact O-N 3.15Å; V23-F26 VanDerWaalsContact O-N 3.17Å; V23-I27 HydrophobicContact CG1-CD1 3.97Å; V23-I27 HydrophobicContact CG1-CG1 4.44Å; V23-I27 VanDerWaalsContact O-CG1 3.29Å; V23-I27 WeakPolarHBondContact O-CG1 3.28Å; V23-I27 PolarHBondContact O-N 3.19Å; V23-I40 HydrophobicContact CG2-CG2 3.79Å; V23-L61 HydrophobicContact CG2-CD2 4.41Å; V23-L62 HydrophobicContact CG2-CD1 3.92Å; V23-Y69 HydrophobicContact CG1-CD2 4.16Å; V23-Y69 HydrophobicContact CG1-CE2 3.94Å; V23-L72 HydrophobicContact CG1-CD1 4.04Å
24	E	73.9	Confident	61.6	Low	56 Å²	56	66.8 Å²	66.8	26%	0.262	34%	0.343	S	S	.	.	H	α-helix	trans	-58.9	-37	174.7	-73.4	-168.2	175.5	0	0	112.1	S20 E21 I27 R28 Y76 K79	S20-E24 WeakPolarHBondContact O-CG 3.46Å; S20-E24 PolarHBondContact O-N 3.12Å; E21-E24 PolarHBondContact O-N 3.32Å; E24-I27 WeakPolarHBondContact O-CB 3.34Å; E24-I27 PolarHBondContact O-N 2.99Å; E24-R28 WeakPolarHBondContact O-CB 3.31Å; E24-R28 PolarHBondContact O-N 2.73Å; E24-Y76 HydrophobicContact CB-CD2 4.09Å; E24-Y76 HydrophobicContact CB-CE2 3.95Å; E24-Y76 HydrophobicContact CG-CD2 3.69Å; E24-Y76 HydrophobicContact CG-CE2 4.02Å; E24-K79 IonicContact OE1-NZ 2.73Å
25	A	73.8	Confident	63.9	Low	30 Å²	30	69.7 Å²	69.7	25%	0.248	35%	0.352	C	S	.	.	H	α-helix	trans	-62	-44.4	174.8	0	0	0	0	0	111.8	E21 E22 V23 I27 R28 E29	E21-A25 WeakPolarHBondContact O-CB 3.35Å; E21-A25 PolarHBondContact O-N 3.06Å; E22-A25 WeakPolarHBondContact O-CB 3.15Å; E22-A25 PolarHBondContact O-N 3.46Å; V23-A25 VanDerWaalsContact C-N 3.27Å; V23-A25 PolarHBondContact O-N 3.15Å; A25-I27 VanDerWaalsContact C-N 3.31Å; A25-I27 PolarHBondContact O-N 3.35Å; A25-R28 WeakPolarHBondContact O-CB 3.44Å; A25-R28 PolarHBondContact O-N 2.73Å; A25-E29 WeakPolarHBondContact O-CG 3.47Å; A25-E29 PolarHBondContact O-N 3.29Å
26	F	72.5	Confident	65.9	Low	47 Å²	47	68.8 Å²	68.8	21%	0.206	34%	0.342	C	S	.	.	H	α-helix	trans	-64.8	-34.8	173.9	-74.9	-72.7	0	0	0	112.7	E22 V23 K30 C31 L36 P37 I40	E22-F26 WeakPolarHBondContact O-CD2 3.39Å; E22-F26 PolarHBondContact O-N 2.98Å; E22-F26 VanDerWaalsContact O-N 3.16Å; V23-F26 PolarHBondContact O-N 3.15Å; V23-F26 VanDerWaalsContact O-N 3.17Å; F26-K30 PolarHBondContact O-N 3.07Å; F26-C31 HydrophobicContact CB-CB 4.04Å; F26-C31 HydrophobicContact CD1-CB 3.97Å; F26-C31 HydrophobicContact CG-CB 4.5Å; F26-C31 WeakPolarHBondContact O-CB 3.34Å; F26-C31 PolarHBondContact O-N 3.01Å; F26-L36 HydrophobicContact CB-CD2 3.77Å; F26-L36 HydrophobicContact CD1-CD2 4.07Å; F26-L36 HydrophobicContact CD2-CD2 3.94Å; F26-L36 HydrophobicContact CG-CD2 3.62Å; F26-P37 HydrophobicContact CE1-CG 4.03Å; F26-P37 HydrophobicContact CZ-CG 3.78Å; F26-I40 HydrophobicContact CD2-CD1 3.36Å; F26-I40 HydrophobicContact CE2-CD1 2.95Å; F26-I40 HydrophobicContact CE2-CG1 4.45Å; F26-I40 HydrophobicContact CG-CD1 4.43Å; F26-I40 HydrophobicContact CZ-CD1 3.69Å
27	I	72.3	Confident	68	Low	16 Å²	16	66.2 Å²	66.2	8%	0.082	33%	0.332	C	S	.	.	H	α-helix	trans	-66	-44.4	174.7	-63.7	170	0	0	0	110	V23 E24 A25 E29 K30 Y69 L72 I73 Y76	V23-I27 HydrophobicContact CG1-CD1 3.97Å; V23-I27 HydrophobicContact CG1-CG1 4.44Å; V23-I27 VanDerWaalsContact O-CG1 3.29Å; V23-I27 WeakPolarHBondContact O-CG1 3.28Å; V23-I27 PolarHBondContact O-N 3.19Å; E24-I27 WeakPolarHBondContact O-CB 3.34Å; E24-I27 PolarHBondContact O-N 2.99Å; A25-I27 VanDerWaalsContact C-N 3.31Å; A25-I27 PolarHBondContact O-N 3.35Å; I27-E29 VanDerWaalsContact C-N 3.34Å; I27-E29 PolarHBondContact O-N 3.08Å; I27-K30 WeakPolarHBondContact O-CA 3.3Å; I27-K30 PolarHBondContact O-N 3.08Å; I27-Y69 HydrophobicContact CD1-CE2 4.15Å; I27-Y69 HydrophobicContact CG1-CE2 3.67Å; I27-L72 HydrophobicContact CD1-CB 4.24Å; I27-I73 HydrophobicContact CD1-CG1 3.99Å; I27-I73 HydrophobicContact CG1-CG1 3.82Å; I27-I73 HydrophobicContact CG2-CG1 4.15Å; I27-I73 HydrophobicContact CG2-CG2 4.31Å; I27-Y76 HydrophobicContact CB-CD1 4.39Å; I27-Y76 HydrophobicContact CG2-CD1 3.4Å; I27-Y76 HydrophobicContact CG2-CE1 3.86Å; I27-Y76 HydrophobicContact CG2-CG 3.83Å
28	R	72.9	Confident	69.4	Low	158 Å²	158	71.7 Å²	71.7	60%	0.596	35%	0.35	S	S	*	.	H	α-helix	trans	-61.1	-40.8	177.2	-171.4	175.6	68.8	-159.3	2.2	112.1	E24 A25 K30	E24-R28 WeakPolarHBondContact O-CB 3.31Å; E24-R28 PolarHBondContact O-N 2.73Å; A25-R28 WeakPolarHBondContact O-CB 3.44Å; A25-R28 PolarHBondContact O-N 2.73Å; R28-K30 PolarHBondContact O-N 3.11Å
29	E	72.2	Confident	70.4	Confident	139 Å²	139	74.1 Å²	74.1	65%	0.65	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	1.6	172.8	-69.8	-173.9	175.9	0	0	113.8	A25 I27 C31	A25-E29 WeakPolarHBondContact O-CG 3.47Å; A25-E29 PolarHBondContact O-N 3.29Å; I27-E29 VanDerWaalsContact C-N 3.34Å; I27-E29 PolarHBondContact O-N 3.08Å; E29-C31 PolarHBondContact O-N 3.02Å
30	K	71.2	Confident	71.2	Confident	129 Å²	129	71.8 Å²	71.8	56%	0.561	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	37	179.8	-57.2	170.1	-176.9	165.4	0	111.7	F26 I27 R28	F26-K30 PolarHBondContact O-N 3.07Å; I27-K30 WeakPolarHBondContact O-CA 3.3Å; I27-K30 PolarHBondContact O-N 3.08Å; R28-K30 PolarHBondContact O-N 3.11Å
31	C	73.1	Confident	71.6	Confident	17 Å²	17	70.9 Å²	70.9	12%	0.115	34%	0.337	C	S	.	.			trans	-73.1	123.2	-178.2	-171.9	0	0	0	0	110.9	F26 E29 Y69 N92	F26-C31 HydrophobicContact CB-CB 4.04Å; F26-C31 HydrophobicContact CD1-CB 3.97Å; F26-C31 HydrophobicContact CG-CB 4.5Å; F26-C31 WeakPolarHBondContact O-CB 3.34Å; F26-C31 PolarHBondContact O-N 3.01Å; E29-C31 PolarHBondContact O-N 3.02Å; C31-Y69 PolarHBondContact O-OH 3.09Å; C31-N92 PolarHBondContact O-ND2 3.32Å
32	P	69.4	Low	71.3	Confident	38 Å²	38	71.2 Å²	71.2	25%	0.247	34%	0.338	C	S	.	.			trans	-71.1	152	177.7	29.4	-34.3	0	0	0	111.4	T34 K35 L36	P32-T34 PolarHBondContact O-N 3Å; P32-K35 HydrophobicContact CG-CB 3.93Å; P32-K35 HydrophobicContact CG-CD 3.76Å; P32-K35 HydrophobicContact CG-CG 3.77Å; P32-K35 PolarHBondContact O-N 3.32Å; P32-L36 PolarHBondContact O-N 3.43Å
33	W	71.4	Confident	70.2	Confident	45 Å²	45	69.9 Å²	69.9	17%	0.17	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-49.9	-40	177.4	173.6	-106.5	0	0	0	112.2	K35 L36 K41 L62 A66 Y69 N92	W33-K35 VanDerWaalsContact C-N 3.27Å; W33-K35 PolarHBondContact O-N 3.02Å; W33-L36 HydrophobicContact CD2-CD1 4.5Å; W33-L36 HydrophobicContact CE3-CD1 3.55Å; W33-L36 HydrophobicContact CZ3-CD1 4.04Å; W33-L36 PolarHBondContact O-N 3.34Å; W33-K41 HydrophobicContact CE3-CG 4.4Å; W33-K41 HydrophobicContact CH2-CB 3.91Å; W33-K41 HydrophobicContact CH2-CD 4.46Å; W33-K41 HydrophobicContact CH2-CG 3.67Å; W33-K41 HydrophobicContact CZ2-CB 4.27Å; W33-K41 HydrophobicContact CZ2-CD 4.24Å; W33-K41 HydrophobicContact CZ2-CG 3.93Å; W33-K41 HydrophobicContact CZ3-CB 4.5Å; W33-K41 HydrophobicContact CZ3-CG 3.9Å; W33-K41 WeakPolarHBondContact O-CE 3.34Å; W33-K41 PolarHBondContact O-NZ 3.37Å; W33-L62 HydrophobicContact CH2-CB 4.43Å; W33-L62 HydrophobicContact CZ3-CB 4.33Å; W33-L62 HydrophobicContact CZ3-CD1 4.49Å; W33-L62 HydrophobicContact CZ3-CD2 3.98Å; W33-A66 HydrophobicContact CD2-CB 4.06Å; W33-A66 HydrophobicContact CG-CB 3.95Å; W33-Y69 HydrophobicContact CB-CD1 4.08Å; W33-Y69 AromaticContact CE3-CD1 3.82Å; W33-Y69 HydrophobicContact CE3-CD1 3.82Å; W33-Y69 AromaticContact CE3-CG 3.84Å; W33-Y69 HydrophobicContact CE3-CG 3.84Å; W33-Y69 HydrophobicContact CZ3-CG 4.34Å; W33-N92 PolarHBondContact N-OD1 2.8Å
34	T	73.6	Confident	68.7	Low	112 Å²	112	76.5 Å²	76.5	69%	0.687	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-61.5	-32.2	-179.6	53.5	0	0	0	0	113.8	P32 K41	P32-T34 PolarHBondContact O-N 3Å; T34-K41 PolarHBondContact O-NZ 2.87Å
35	K	77	Confident	67	Low	161 Å²	161	82.6 Å²	82.6	70%	0.7	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-92.5	-12.5	-178.5	-68	-175.1	-179.3	-176.7	0	114.3	P32 W33	P32-K35 HydrophobicContact CG-CB 3.93Å; P32-K35 HydrophobicContact CG-CD 3.76Å; P32-K35 HydrophobicContact CG-CG 3.77Å; P32-K35 PolarHBondContact O-N 3.32Å; W33-K35 VanDerWaalsContact C-N 3.27Å; W33-K35 PolarHBondContact O-N 3.02Å
36	L	72.4	Confident	65.2	Low	4 Å²	4	85 Å²	85	2%	0.021	40%	0.401	C	S	.	.	S	Bend	trans	-54.5	134.3	175.9	-95.2	167.5	0	0	0	111.4	F26 P32 W33 I40 K41 Y69	F26-L36 HydrophobicContact CB-CD2 3.77Å; F26-L36 HydrophobicContact CD1-CD2 4.07Å; F26-L36 HydrophobicContact CD2-CD2 3.94Å; F26-L36 HydrophobicContact CG-CD2 3.62Å; P32-L36 PolarHBondContact O-N 3.43Å; W33-L36 HydrophobicContact CD2-CD1 4.5Å; W33-L36 HydrophobicContact CE3-CD1 3.55Å; W33-L36 HydrophobicContact CZ3-CD1 4.04Å; W33-L36 PolarHBondContact O-N 3.34Å; L36-I40 HydrophobicContact CD2-CB 4.34Å; L36-I40 HydrophobicContact CD2-CD1 4.29Å; L36-I40 HydrophobicContact CD2-CG2 3.94Å; L36-K41 HydrophobicContact CB-CD 4.4Å; L36-K41 HydrophobicContact CB-CG 4.04Å; L36-K41 WeakPolarHBondContact O-CD 3.12Å; L36-K41 WeakPolarHBondContact O-CE 3.38Å; L36-K41 PolarHBondContact O-NZ 3.34Å; L36-Y69 HydrophobicContact CD1-CD1 3.66Å; L36-Y69 HydrophobicContact CD1-CD2 3.83Å; L36-Y69 HydrophobicContact CD1-CE1 3.36Å; L36-Y69 HydrophobicContact CD1-CE2 3.6Å; L36-Y69 HydrophobicContact CD1-CG 3.88Å; L36-Y69 HydrophobicContact CG-CE1 4.32Å
37	P	75.9	Confident	63.1	Low	40 Å²	40	89.5 Å²	89.5	26%	0.26	43%	0.427	S	S	.	.			trans	-54.7	145.6	176.1	-26.9	34.2	0	0	0	113.1	F26 H39 I40 K41	F26-P37 HydrophobicContact CE1-CG 4.03Å; F26-P37 HydrophobicContact CZ-CG 3.78Å; P37-H39 WeakPolarHBondContact CB-CE1 3.39Å; P37-H39 WeakPolarHBondContact CB-ND1 3.42Å; P37-H39 PolarHBondContact O-N 3.19Å; P37-I40 HydrophobicContact CB-CD1 4.38Å; P37-I40 HydrophobicContact CB-CG1 4.3Å; P37-I40 HydrophobicContact CG-CD1 4.12Å; P37-I40 PolarHBondContact O-N 2.82Å; P37-I40 VanDerWaalsContact O-N 3.13Å; P37-K41 PolarHBondContact O-N 3.43Å; P37-K41 VanDerWaalsContact O-N 3.12Å
38	K	69.3	Low	61.4	Low	157 Å²	157	95 Å²	95	68%	0.683	46%	0.457	S	S	*	.	H	α-helix	trans	-59.8	-32.8	-178.7	-70.3	-176.5	-178.2	176.1	0	113.1	I40 K41 Q42	K38-I40 VanDerWaalsContact C-N 3.28Å; K38-I40 PolarHBondContact O-N 3.34Å; K38-K41 PolarHBondContact O-N 3.22Å; K38-Q42 VanDerWaalsContact O-CB 3.23Å; K38-Q42 WeakPolarHBondContact O-CB 3.48Å; K38-Q42 WeakPolarHBondContact O-CG 3.37Å; K38-Q42 PolarHBondContact O-N 3.08Å
39	H	70.1	Confident	59.8	Low	112 Å²	112	92.4 Å²	92.4	52%	0.519	46%	0.462	S	S	.	.	H	α-helix	trans	-68.7	-27.4	-179.6	68.4	-91.1	0	0	0	112.8	P37	P37-H39 WeakPolarHBondContact CB-CE1 3.39Å; P37-H39 WeakPolarHBondContact CB-ND1 3.42Å; P37-H39 PolarHBondContact O-N 3.19Å
40	I	68.6	Low	58.4	Low	19 Å²	19	92.1 Å²	92.1	10%	0.097	47%	0.47	C	S	.	.	H	α-helix	trans	-82.1	-39.2	175.6	-56.3	-175	0	0	0	110.2	V23 F26 L36 P37 K38 L62	V23-I40 HydrophobicContact CG2-CG2 3.79Å; F26-I40 HydrophobicContact CD2-CD1 3.36Å; F26-I40 HydrophobicContact CE2-CD1 2.95Å; F26-I40 HydrophobicContact CE2-CG1 4.45Å; F26-I40 HydrophobicContact CG-CD1 4.43Å; F26-I40 HydrophobicContact CZ-CD1 3.69Å; L36-I40 HydrophobicContact CD2-CB 4.34Å; L36-I40 HydrophobicContact CD2-CD1 4.29Å; L36-I40 HydrophobicContact CD2-CG2 3.94Å; P37-I40 HydrophobicContact CB-CD1 4.38Å; P37-I40 HydrophobicContact CB-CG1 4.3Å; P37-I40 HydrophobicContact CG-CD1 4.12Å; P37-I40 PolarHBondContact O-N 2.82Å; P37-I40 VanDerWaalsContact O-N 3.13Å; K38-I40 VanDerWaalsContact C-N 3.28Å; K38-I40 PolarHBondContact O-N 3.34Å; I40-L62 HydrophobicContact CG2-CD1 3.49Å; I40-L62 VanDerWaalsContact CG2-CD1 3.49Å; I40-L62 VanDerWaalsContact O-CD1 3.28Å; I40-L62 WeakPolarHBondContact O-CD1 3.46Å
41	K	68.4	Low	56.8	Low	27 Å²	27	97.1 Å²	97.1	12%	0.117	49%	0.485	C	S	.	.	H	α-helix	trans	-65	-44.2	175.6	-69.5	176.9	166.1	148.7	0	112.7	W33 T34 L36 P37 K38 N64	W33-K41 HydrophobicContact CE3-CG 4.4Å; W33-K41 HydrophobicContact CH2-CB 3.91Å; W33-K41 HydrophobicContact CH2-CD 4.46Å; W33-K41 HydrophobicContact CH2-CG 3.67Å; W33-K41 HydrophobicContact CZ2-CB 4.27Å; W33-K41 HydrophobicContact CZ2-CD 4.24Å; W33-K41 HydrophobicContact CZ2-CG 3.93Å; W33-K41 HydrophobicContact CZ3-CB 4.5Å; W33-K41 HydrophobicContact CZ3-CG 3.9Å; W33-K41 WeakPolarHBondContact O-CE 3.34Å; W33-K41 PolarHBondContact O-NZ 3.37Å; T34-K41 PolarHBondContact O-NZ 2.87Å; L36-K41 HydrophobicContact CB-CD 4.4Å; L36-K41 HydrophobicContact CB-CG 4.04Å; L36-K41 WeakPolarHBondContact O-CD 3.12Å; L36-K41 WeakPolarHBondContact O-CE 3.38Å; L36-K41 PolarHBondContact O-NZ 3.34Å; P37-K41 PolarHBondContact O-N 3.43Å; P37-K41 VanDerWaalsContact O-N 3.12Å; K38-K41 PolarHBondContact O-N 3.22Å; K41-N64 WeakPolarHBondContact O-CA 3.36Å; K41-N64 PolarHBondContact O-N 3.42Å
42	Q	57.9	Low	55.1	Low	100 Å²	100	99.1 Å²	99.1	47%	0.467	50%	0.495	S	S	.	.	S	Bend	trans	-99.1	134.6	-168.1	-64.8	-178.5	-11	0	0	111.6	K38 K44	K38-Q42 VanDerWaalsContact O-CB 3.23Å; K38-Q42 WeakPolarHBondContact O-CB 3.48Å; K38-Q42 WeakPolarHBondContact O-CG 3.37Å; K38-Q42 PolarHBondContact O-N 3.08Å; Q42-K44 PolarHBondContact O-N 2.89Å
43	V	48.5	Very low	53.6	Low	54 Å²	54	100.4 Å²	100.4	33%	0.327	51%	0.508	S	S	.	.			trans	-60.9	107.4	160.3	-173.9	0	0	0	0	107	K45 L59	V43-K45 VanDerWaalsContact C-N 3.28Å; V43-K45 PolarHBondContact O-N 3.47Å; V43-L59 HydrophobicContact CG1-CB 4.36Å
44	K	38.6	Very low	51.9	Low	145 Å²	145	103.6 Å²	103.6	63%	0.63	53%	0.528	S	S	*	.			trans	-67.2	91.3	175.8	-146.8	-176.2	-175.5	178.4	0	107.5	Q42 V46	Q42-K44 PolarHBondContact O-N 2.89Å; K44-V46 HydrophobicContact CD-CG2 4.16Å; K44-V46 HydrophobicContact CG-CG2 4Å; K44-V46 PolarHBondContact O-N 3.16Å
45	K	37.8	Very low	49.9	Very low	184 Å²	184	103.9 Å²	103.9	80%	0.8	52%	0.521	S	S	*	.			trans	-67.8	70.5	168.8	-84.6	-173.7	174.2	179.7	0	109	V43 L47	V43-K45 VanDerWaalsContact C-N 3.28Å; V43-K45 PolarHBondContact O-N 3.47Å; K45-L47 VanDerWaalsContact C-N 3.27Å; K45-L47 PolarHBondContact O-N 3.47Å
46	V	36	Very low	47.9	Very low	81 Å²	81	99.2 Å²	99.2	49%	0.491	51%	0.506	S	S	.	.			trans	-82.1	89.7	159.8	-176.2	0	0	0	0	105.4	K44 D48 L52	K44-V46 HydrophobicContact CD-CG2 4.16Å; K44-V46 HydrophobicContact CG-CG2 4Å; K44-V46 PolarHBondContact O-N 3.16Å; V46-D48 PolarHBondContact O-N 2.84Å; V46-L52 HydrophobicContact CB-CD2 4.12Å; V46-L52 VanDerWaalsContact O-CD2 3.23Å; V46-L52 WeakPolarHBondContact O-CD2 3.47Å
47	L	29.1	Very low	46.3	Very low	142 Å²	142	104.5 Å²	104.5	74%	0.743	53%	0.534	S	S	*	.			trans	-54.1	115.7	153.6	-97.7	80	0	0	0	106	K45	K45-L47 VanDerWaalsContact C-N 3.27Å; K45-L47 PolarHBondContact O-N 3.47Å
48	D	35.2	Very low	44.4	Very low	132 Å²	132	103.2 Å²	103.2	71%	0.706	53%	0.526	S	S	*	.			trans	-176.9	114.3	136.2	-86.9	-21.8	0	0	0	110.6	V46	V46-D48 PolarHBondContact O-N 2.84Å
49	S	39.4	Very low	42.9	Very low	102 Å²	102	98.1 Å²	98.1	71%	0.713	51%	0.506	S	S	*	.			trans	67.5	142.3	168.9	77.6	0	0	0	0	118.1	R51 L52	S49-R51 PolarHBondContact O-N 3.4Å; S49-L52 PolarHBondContact O-N 3.33Å; S49-L52 VanDerWaalsContact O-N 3.09Å
50	V	42.7	Very low	41.9	Very low	134 Å²	134	99 Å²	99	81%	0.812	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-15.9	-166.1	174.4	0	0	0	0	116.1	L52	V50-L52 VanDerWaalsContact C-N 3.27Å; V50-L52 PolarHBondContact O-N 2.95Å
51	R	39.1	Very low	41.2	Very low	233 Å²	233	100.4 Å²	100.4	88%	0.879	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-22.3	176.2	-127.8	174.7	-178.4	167.8	-1.5	113.4	S49	S49-R51 PolarHBondContact O-N 3.4Å
52	L	36.4	Very low	40.8	Very low	60 Å²	60	99.3 Å²	99.3	31%	0.314	51%	0.513	S	S	.	.	H	α-helix	trans	-89	-14.7	-178.7	-126.7	82.9	0	0	0	114.8	V46 S49 V50 I54 Q55 T56	V46-L52 HydrophobicContact CB-CD2 4.12Å; V46-L52 VanDerWaalsContact O-CD2 3.23Å; V46-L52 WeakPolarHBondContact O-CD2 3.47Å; S49-L52 PolarHBondContact O-N 3.33Å; S49-L52 VanDerWaalsContact O-N 3.09Å; V50-L52 VanDerWaalsContact C-N 3.27Å; V50-L52 PolarHBondContact O-N 2.95Å; L52-I54 VanDerWaalsContact C-N 3.32Å; L52-I54 PolarHBondContact O-N 3.26Å; L52-Q55 CarbonylContact O-C 3.53Å; L52-Q55 PolarHBondContact O-N 3.44Å; L52-T56 PolarHBondContact O-N 3.33Å; L52-T56 PolarHBondContact O-OG1 3.11Å
53	A	38.1	Very low	41	Very low	65 Å²	65	96.8 Å²	96.8	54%	0.537	51%	0.514	S	S	.	.	H	α-helix	trans	-65.3	-35.1	-176.1	0	0	0	0	0	112.6	T56	A53-T56 WeakPolarHBondContact CA-OG1 3.39Å; A53-T56 VanDerWaalsContact O-CB 3.22Å; A53-T56 WeakPolarHBondContact O-CB 3.21Å; A53-T56 PolarHBondContact O-N 3.3Å; A53-T56 PolarHBondContact O-OG1 3.25Å
54	I	36.2	Very low	41.7	Very low	112 Å²	112	98.6 Å²	98.6	57%	0.574	52%	0.522	S	S	*	.	H	α-helix	trans	-74.6	-36.3	178.4	-63.6	175.6	0	0	0	110.5	L12 L52 T56 L57	L12-I54 HydrophobicContact CD2-CG2 3.76Å; L52-I54 VanDerWaalsContact C-N 3.32Å; L52-I54 PolarHBondContact O-N 3.26Å; I54-T56 PolarHBondContact O-N 3.18Å; I54-L57 PolarHBondContact O-N 3.33Å
55	Q	31.5	Very low	43.4	Very low	117 Å²	117	93.6 Å²	93.6	55%	0.547	51%	0.505	S	S	.	.	H	α-helix	trans	-70.4	-13.2	171.8	-150.2	168	16	0	0	112.7	L52 L57 S58	L52-Q55 CarbonylContact O-C 3.53Å; L52-Q55 PolarHBondContact O-N 3.44Å; Q55-L57 VanDerWaalsContact C-N 3.26Å; Q55-L57 PolarHBondContact O-N 3.06Å; Q55-S58 WeakPolarHBondContact O-CB 3.15Å; Q55-S58 PolarHBondContact O-N 3.36Å
56	T	35.3	Very low	45	Very low	63 Å²	63	86.4 Å²	86.4	39%	0.387	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-22.9	177.4	-49.1	0	0	0	0	112.1	L52 A53 I54 S58 L59	L52-T56 PolarHBondContact O-N 3.33Å; L52-T56 PolarHBondContact O-OG1 3.11Å; A53-T56 WeakPolarHBondContact CA-OG1 3.39Å; A53-T56 VanDerWaalsContact O-CB 3.22Å; A53-T56 WeakPolarHBondContact O-CB 3.21Å; A53-T56 PolarHBondContact O-N 3.3Å; A53-T56 PolarHBondContact O-OG1 3.25Å; I54-T56 PolarHBondContact O-N 3.18Å; T56-S58 VanDerWaalsContact C-N 3.34Å; T56-L59 PolarHBondContact O-N 3.47Å
57	L	37.5	Very low	46.9	Very low	116 Å²	116	90.1 Å²	90.1	61%	0.607	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-36.7	170.9	-79.9	155.8	0	0	0	111.5	I54 Q55 L59 Q60	I54-L57 PolarHBondContact O-N 3.33Å; Q55-L57 VanDerWaalsContact C-N 3.26Å; Q55-L57 PolarHBondContact O-N 3.06Å; L57-L59 VanDerWaalsContact C-N 3.27Å; L57-L59 PolarHBondContact O-N 2.98Å; L57-Q60 PolarHBondContact O-N 2.74Å
58	S	36	Very low	49.1	Very low	13 Å²	13	87.6 Å²	87.6	9%	0.091	47%	0.473	C	S	.	.	G	3₁₀ helix	trans	-62.3	-30	174.4	-101.5	0	0	0	0	113.6	G15 Q55 T56	G15-S58 VanDerWaalsContact C-OG 3.28Å; G15-S58 PolarHBondContact O-OG 3.05Å; Q55-S58 WeakPolarHBondContact O-CB 3.15Å; Q55-S58 PolarHBondContact O-N 3.36Å; T56-S58 VanDerWaalsContact C-N 3.34Å
59	L	38.7	Very low	50.8	Low	49 Å²	49	81.3 Å²	81.3	26%	0.257	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-89.5	5.1	-175.3	-81.9	160.2	0	0	0	114.1	V43 T56 L57 L61	V43-L59 HydrophobicContact CG1-CB 4.36Å; T56-L59 PolarHBondContact O-N 3.47Å; L57-L59 VanDerWaalsContact C-N 3.27Å; L57-L59 PolarHBondContact O-N 2.98Å; L59-L61 VanDerWaalsContact C-N 3.31Å; L59-L61 PolarHBondContact O-N 3.27Å
60	Q	48.2	Very low	52.3	Low	130 Å²	130	77.4 Å²	77.4	61%	0.607	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-75.9	-11.4	-179.3	-80.1	-175.5	-14.6	0	0	114.7	L57 L62 G63	L57-Q60 PolarHBondContact O-N 2.74Å; Q60-L62 VanDerWaalsContact C-N 3.31Å; Q60-L62 PolarHBondContact O-N 3.02Å; Q60-G63 PolarHBondContact O-N 3.47Å
61	L	55.1	Low	54	Low	50 Å²	50	76.2 Å²	76.2	26%	0.262	39%	0.394	S	S	.	.	S	Bend	trans	-52.9	-40.4	-157.7	-115.4	91.2	0	0	0	115.7	V23 L59 L72	V23-L61 HydrophobicContact CG2-CD2 4.41Å; L59-L61 VanDerWaalsContact C-N 3.31Å; L59-L61 PolarHBondContact O-N 3.27Å; L61-L72 HydrophobicContact CD2-CD1 3.95Å
62	L	58.9	Low	55.8	Low	4 Å²	4	66.8 Å²	66.8	2%	0.021	36%	0.361	C	S	.	.	S	Bend	trans	-114.4	-26.1	-175.8	-71.7	156.2	0	0	0	113.8	V23 W33 I40 Q60 N64 S65 Y69 L72	V23-L62 HydrophobicContact CG2-CD1 3.92Å; W33-L62 HydrophobicContact CH2-CB 4.43Å; W33-L62 HydrophobicContact CZ3-CB 4.33Å; W33-L62 HydrophobicContact CZ3-CD1 4.49Å; W33-L62 HydrophobicContact CZ3-CD2 3.98Å; I40-L62 HydrophobicContact CG2-CD1 3.49Å; I40-L62 VanDerWaalsContact CG2-CD1 3.49Å; I40-L62 VanDerWaalsContact O-CD1 3.28Å; I40-L62 WeakPolarHBondContact O-CD1 3.46Å; Q60-L62 VanDerWaalsContact C-N 3.31Å; Q60-L62 PolarHBondContact O-N 3.02Å; L62-N64 PolarHBondContact O-N 3.45Å; L62-S65 WeakPolarHBondContact O-CA 3.14Å; L62-S65 VanDerWaalsContact O-CB 3.28Å; L62-S65 WeakPolarHBondContact O-CB 3.42Å; L62-S65 PolarHBondContact O-N 3.24Å; L62-Y69 HydrophobicContact CD2-CD2 3.72Å; L62-Y69 HydrophobicContact CD2-CG 3.93Å; L62-L72 HydrophobicContact CD2-CD1 4.11Å; L62-L72 HydrophobicContact CG-CD1 4.47Å
63	G	62.7	Low	57.7	Low	47 Å²	47	64.4 Å²	64.4	49%	0.485	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	23.2	177.1	0	0	0	0	0	115.3	Q60 S65	Q60-G63 PolarHBondContact O-N 3.47Å; G63-S65 PolarHBondContact O-N 2.74Å
64	N	64.3	Low	59.6	Low	92 Å²	92	62.7 Å²	62.7	49%	0.492	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	24.2	-168.6	-154.7	36.1	0	0	0	113.8	K41 L62	K41-N64 WeakPolarHBondContact O-CA 3.36Å; K41-N64 PolarHBondContact O-N 3.42Å; L62-N64 PolarHBondContact O-N 3.45Å
65	S	73.6	Confident	61.8	Low	39 Å²	39	61.7 Å²	61.7	27%	0.273	32%	0.323	S	S	.	.			trans	-100.7	115.2	178.3	-179.2	0	0	0	0	110	L62 G63 K67 E68 Y69	L62-S65 WeakPolarHBondContact O-CA 3.14Å; L62-S65 VanDerWaalsContact O-CB 3.28Å; L62-S65 WeakPolarHBondContact O-CB 3.42Å; L62-S65 PolarHBondContact O-N 3.24Å; G63-S65 PolarHBondContact O-N 2.74Å; S65-K67 PolarHBondContact O-N 3.14Å; S65-K67 PolarHBondContact OG-N 3.41Å; S65-E68 PolarHBondContact O-N 3.44Å; S65-Y69 PolarHBondContact O-N 3.42Å
66	A	72.1	Confident	64.2	Low	33 Å²	33	57.2 Å²	57.2	27%	0.273	30%	0.301	S	S	.	.	H	α-helix	trans	-58.1	-31.9	171.1	0	0	0	0	0	111.7	W33 E68 Y69 E70	W33-A66 HydrophobicContact CD2-CB 4.06Å; W33-A66 HydrophobicContact CG-CB 3.95Å; A66-E68 PolarHBondContact O-N 2.86Å; A66-Y69 WeakPolarHBondContact O-CB 3.36Å; A66-Y69 PolarHBondContact O-N 3.11Å; A66-E70 WeakPolarHBondContact O-CG 3.21Å; A66-E70 PolarHBondContact O-N 3.26Å
67	K	74.3	Confident	66.5	Low	160 Å²	160	54.5 Å²	54.5	70%	0.696	28%	0.284	S	S	*	.	H	α-helix	trans	-65.7	-36.7	-179.7	-67	-173.9	175.7	-173	0	113.3	S65 E70 K71	S65-K67 PolarHBondContact O-N 3.14Å; S65-K67 PolarHBondContact OG-N 3.41Å; K67-E70 WeakPolarHBondContact O-CB 3.18Å; K67-E70 PolarHBondContact O-N 3.44Å; K67-K71 PolarHBondContact O-N 3.41Å
68	E	75.1	Confident	68.9	Low	88 Å²	88	49.2 Å²	49.2	41%	0.411	26%	0.257	S	S	.	.	H	α-helix	trans	-69.4	-38.8	176.3	-66.6	-56.7	144.3	0	0	110.5	S65 A66 E70 K71 L72	S65-E68 PolarHBondContact O-N 3.44Å; A66-E68 PolarHBondContact O-N 2.86Å; E68-E70 VanDerWaalsContact C-N 3.31Å; E68-E70 PolarHBondContact O-N 3.11Å; E68-K71 WeakPolarHBondContact O-CB 3.43Å; E68-K71 PolarHBondContact O-N 3.49Å; E68-L72 WeakPolarHBondContact O-CG 3.49Å; E68-L72 PolarHBondContact O-N 2.99Å
69	Y	72.7	Confident	71.3	Confident	1 Å²	1	52.7 Å²	52.7	0%	0.004	27%	0.271	C	S	.	.	H	α-helix	trans	-61	-43.1	172.7	-168.6	-131.9	0	0	0	111.7	V23 I27 C31 W33 L36 L62 S65 A66 K71 L72 I73 N92	V23-Y69 HydrophobicContact CG1-CD2 4.16Å; V23-Y69 HydrophobicContact CG1-CE2 3.94Å; I27-Y69 HydrophobicContact CD1-CE2 4.15Å; I27-Y69 HydrophobicContact CG1-CE2 3.67Å; C31-Y69 PolarHBondContact O-OH 3.09Å; W33-Y69 HydrophobicContact CB-CD1 4.08Å; W33-Y69 AromaticContact CE3-CD1 3.82Å; W33-Y69 HydrophobicContact CE3-CD1 3.82Å; W33-Y69 AromaticContact CE3-CG 3.84Å; W33-Y69 HydrophobicContact CE3-CG 3.84Å; W33-Y69 HydrophobicContact CZ3-CG 4.34Å; L36-Y69 HydrophobicContact CD1-CD1 3.66Å; L36-Y69 HydrophobicContact CD1-CD2 3.83Å; L36-Y69 HydrophobicContact CD1-CE1 3.36Å; L36-Y69 HydrophobicContact CD1-CE2 3.6Å; L36-Y69 HydrophobicContact CD1-CG 3.88Å; L36-Y69 HydrophobicContact CG-CE1 4.32Å; L62-Y69 HydrophobicContact CD2-CD2 3.72Å; L62-Y69 HydrophobicContact CD2-CG 3.93Å; S65-Y69 PolarHBondContact O-N 3.42Å; A66-Y69 WeakPolarHBondContact O-CB 3.36Å; A66-Y69 PolarHBondContact O-N 3.11Å; Y69-K71 VanDerWaalsContact C-N 3.31Å; Y69-K71 PolarHBondContact O-N 3.22Å; Y69-L72 PolarHBondContact O-N 3.04Å; Y69-I73 HydrophobicContact CD1-CD1 3.74Å; Y69-I73 HydrophobicContact CD1-CG1 4.5Å; Y69-I73 HydrophobicContact CE1-CD1 3.61Å; Y69-I73 HydrophobicContact CE1-CG1 4.34Å; Y69-I73 HydrophobicContact CE2-CD1 4.45Å; Y69-I73 HydrophobicContact CE2-CG1 4.33Å; Y69-I73 HydrophobicContact CG-CD1 4.26Å; Y69-I73 VanDerWaalsContact O-CG1 3.25Å; Y69-I73 WeakPolarHBondContact O-CG1 3.39Å; Y69-I73 PolarHBondContact O-N 3.36Å; Y69-N92 VanDerWaalsContact CE1-ND2 3.33Å; Y69-N92 WeakPolarHBondContact CE1-ND2 3.2Å
70	E	70.1	Confident	73.5	Confident	19 Å²	19	51.7 Å²	51.7	9%	0.089	27%	0.266	C	S	.	.	H	α-helix	trans	-61.1	-40.5	177	-73.1	173.6	-179.3	0	0	112	A66 K67 E68 I73 M74 N92 T95 I96	A66-E70 WeakPolarHBondContact O-CG 3.21Å; A66-E70 PolarHBondContact O-N 3.26Å; K67-E70 WeakPolarHBondContact O-CB 3.18Å; K67-E70 PolarHBondContact O-N 3.44Å; E68-E70 VanDerWaalsContact C-N 3.31Å; E68-E70 PolarHBondContact O-N 3.11Å; E70-I73 PolarHBondContact O-N 3Å; E70-M74 PolarHBondContact O-N 3.31Å; E70-N92 VanDerWaalsContact CD-O 3.24Å; E70-N92 HydrophobicContact CG-CB 4.27Å; E70-N92 VanDerWaalsContact CG-O 3.25Å; E70-N92 WeakPolarHBondContact CG-O 3.46Å; E70-N92 VanDerWaalsContact OE1-O 3.13Å; E70-T95 WeakPolarHBondContact OE1-CB 3.23Å; E70-T95 PolarHBondContact OE1-OG1 3.41Å; E70-I96 HydrophobicContact CB-CD1 3.89Å; E70-I96 HydrophobicContact CB-CG1 3.88Å; E70-I96 HydrophobicContact CG-CG1 4.41Å
71	K	78.1	Confident	75.5	Confident	109 Å²	109	45.9 Å²	45.9	47%	0.474	24%	0.238	S	C	.	.	H	α-helix	trans	-62	-46.5	173.4	-169	-172	179.6	-131.8	0	111.6	K67 E68 Y69 I73 M74 E75	K67-K71 PolarHBondContact O-N 3.41Å; E68-K71 WeakPolarHBondContact O-CB 3.43Å; E68-K71 PolarHBondContact O-N 3.49Å; Y69-K71 VanDerWaalsContact C-N 3.31Å; Y69-K71 PolarHBondContact O-N 3.22Å; K71-I73 VanDerWaalsContact C-N 3.34Å; K71-I73 PolarHBondContact O-N 3.44Å; K71-M74 WeakPolarHBondContact O-CB 3.44Å; K71-M74 PolarHBondContact O-N 2.9Å; K71-M74 VanDerWaalsContact O-N 3.12Å; K71-E75 WeakPolarHBondContact CE-OE1 3.33Å; K71-E75 IonicContact NZ-OE1 2.73Å; K71-E75 PolarHBondContact NZ-OE1 3.34Å; K71-E75 WeakPolarHBondContact O-CG 3.32Å; K71-E75 PolarHBondContact O-N 3.47Å
72	L	77.3	Confident	77	Confident	36 Å²	36	46.4 Å²	46.4	19%	0.188	24%	0.241	C	C	.	.	H	α-helix	trans	-63	-38.1	176.7	-69.9	173.6	0	0	0	112.3	V23 I27 L61 L62 E68 Y69 M74 E75 Y76	V23-L72 HydrophobicContact CG1-CD1 4.04Å; I27-L72 HydrophobicContact CD1-CB 4.24Å; L61-L72 HydrophobicContact CD2-CD1 3.95Å; L62-L72 HydrophobicContact CD2-CD1 4.11Å; L62-L72 HydrophobicContact CG-CD1 4.47Å; E68-L72 WeakPolarHBondContact O-CG 3.49Å; E68-L72 PolarHBondContact O-N 2.99Å; Y69-L72 PolarHBondContact O-N 3.04Å; L72-M74 VanDerWaalsContact C-N 3.32Å; L72-M74 PolarHBondContact O-N 3.36Å; L72-E75 PolarHBondContact O-N 3Å; L72-Y76 WeakPolarHBondContact O-CB 3.27Å; L72-Y76 PolarHBondContact O-N 2.8Å
73	I	76.7	Confident	78.4	Confident	10 Å²	10	50.9 Å²	50.9	5%	0.051	26%	0.257	C	S	.	.	H	α-helix	trans	-62.3	-42.5	173.2	-64.9	164.8	0	0	0	110.3	I27 Y69 E70 K71 S77 N92 L93	I27-I73 HydrophobicContact CD1-CG1 3.99Å; I27-I73 HydrophobicContact CG1-CG1 3.82Å; I27-I73 HydrophobicContact CG2-CG1 4.15Å; I27-I73 HydrophobicContact CG2-CG2 4.31Å; Y69-I73 HydrophobicContact CD1-CD1 3.74Å; Y69-I73 HydrophobicContact CD1-CG1 4.5Å; Y69-I73 HydrophobicContact CE1-CD1 3.61Å; Y69-I73 HydrophobicContact CE1-CG1 4.34Å; Y69-I73 HydrophobicContact CE2-CD1 4.45Å; Y69-I73 HydrophobicContact CE2-CG1 4.33Å; Y69-I73 HydrophobicContact CG-CD1 4.26Å; Y69-I73 VanDerWaalsContact O-CG1 3.25Å; Y69-I73 WeakPolarHBondContact O-CG1 3.39Å; Y69-I73 PolarHBondContact O-N 3.36Å; E70-I73 PolarHBondContact O-N 3Å; K71-I73 VanDerWaalsContact C-N 3.34Å; K71-I73 PolarHBondContact O-N 3.44Å; I73-S77 VanDerWaalsContact O-CB 3.26Å; I73-S77 WeakPolarHBondContact O-CB 3.29Å; I73-S77 PolarHBondContact O-N 3.43Å; I73-S77 PolarHBondContact O-OG 3.31Å; I73-N92 HydrophobicContact CD1-CB 3.38Å; I73-N92 VanDerWaalsContact CD1-ND2 3.34Å; I73-N92 WeakPolarHBondContact CD1-ND2 3.23Å; I73-L93 HydrophobicContact CB-CD1 4.33Å; I73-L93 HydrophobicContact CG2-CD1 3.47Å; I73-L93 VanDerWaalsContact CG2-CD1 3.47Å; I73-L93 HydrophobicContact CG2-CG 4.24Å
74	M	76.9	Confident	79.1	Confident	28 Å²	28	49.9 Å²	49.9	14%	0.138	24%	0.239	C	C	.	.	H	α-helix	trans	-64.1	-49.3	177.9	-170.7	-172.8	-54.4	0	0	111.5	E70 K71 L72 Y76 S77 V78 L93 I96 I99 L109	E70-M74 PolarHBondContact O-N 3.31Å; K71-M74 WeakPolarHBondContact O-CB 3.44Å; K71-M74 PolarHBondContact O-N 2.9Å; K71-M74 VanDerWaalsContact O-N 3.12Å; L72-M74 VanDerWaalsContact C-N 3.32Å; L72-M74 PolarHBondContact O-N 3.36Å; M74-Y76 VanDerWaalsContact C-N 3.32Å; M74-Y76 PolarHBondContact O-N 3.04Å; M74-S77 PolarHBondContact O-N 2.88Å; M74-S77 VanDerWaalsContact O-N 3.16Å; M74-V78 WeakPolarHBondContact O-CB 3.31Å; M74-V78 WeakPolarHBondContact O-CG2 3.45Å; M74-V78 PolarHBondContact O-N 3.1Å; M74-L93 HydrophobicContact CB-CD2 4.28Å; M74-L93 HydrophobicContact CE-CD2 3.99Å; M74-L93 HydrophobicContact CG-CD2 4.45Å; M74-I96 HydrophobicContact CE-CD1 3.19Å; M74-I96 HydrophobicContact CE-CG2 4.34Å; M74-I99 HydrophobicContact CE-CD1 3.27Å; M74-I99 HydrophobicContact CE-CG1 4.33Å; M74-I99 HydrophobicContact SD-CD1 3.64Å; M74-L109 HydrophobicContact SD-CD2 4.13Å
75	E	81.9	Confident	79.3	Confident	92 Å²	92	53.1 Å²	53.1	43%	0.43	24%	0.244	S	C	.	.	H	α-helix	trans	-57.2	-46.1	176.7	-72.3	174.9	-173.5	0	0	110.7	K71 L72 S77 V78 K79	K71-E75 WeakPolarHBondContact CE-OE1 3.33Å; K71-E75 IonicContact NZ-OE1 2.73Å; K71-E75 PolarHBondContact NZ-OE1 3.34Å; K71-E75 WeakPolarHBondContact O-CG 3.32Å; K71-E75 PolarHBondContact O-N 3.47Å; L72-E75 PolarHBondContact O-N 3Å; E75-S77 PolarHBondContact O-N 3.38Å; E75-V78 PolarHBondContact O-N 3.49Å; E75-K79 WeakPolarHBondContact O-CB 3.32Å; E75-K79 PolarHBondContact O-N 3.44Å
76	Y	82.5	Confident	78.4	Confident	23 Å²	23	57.4 Å²	57.4	9%	0.09	27%	0.269	C	S	.	.	H	α-helix	trans	-62.2	-42.3	175	179.9	-90.1	0	0	0	112.7	E24 I27 L72 M74 K79 N80 I82	E24-Y76 HydrophobicContact CB-CD2 4.09Å; E24-Y76 HydrophobicContact CB-CE2 3.95Å; E24-Y76 HydrophobicContact CG-CD2 3.69Å; E24-Y76 HydrophobicContact CG-CE2 4.02Å; I27-Y76 HydrophobicContact CB-CD1 4.39Å; I27-Y76 HydrophobicContact CG2-CD1 3.4Å; I27-Y76 HydrophobicContact CG2-CE1 3.86Å; I27-Y76 HydrophobicContact CG2-CG 3.83Å; L72-Y76 WeakPolarHBondContact O-CB 3.27Å; L72-Y76 PolarHBondContact O-N 2.8Å; M74-Y76 VanDerWaalsContact C-N 3.32Å; M74-Y76 PolarHBondContact O-N 3.04Å; Y76-K79 PolarHBondContact O-N 3.25Å; Y76-N80 WeakPolarHBondContact CD2-ND2 3.39Å; Y76-N80 WeakPolarHBondContact CE2-ND2 3.33Å; Y76-N80 WeakPolarHBondContact O-CB 3.43Å; Y76-N80 PolarHBondContact O-N 2.9Å; Y76-N80 PolarHBondContact O-ND2 3.16Å; Y76-I82 HydrophobicContact CD1-CD1 3.88Å; Y76-I82 HydrophobicContact CE1-CD1 3.62Å
77	S	84.7	Confident	77	Confident	5 Å²	5	58 Å²	58	4%	0.035	28%	0.278	C	S	.	.	H	α-helix	trans	-68.2	-40.3	-178.4	-58	0	0	0	0	111.7	I73 M74 E75 Q81 I82 Y106	I73-S77 VanDerWaalsContact O-CB 3.26Å; I73-S77 WeakPolarHBondContact O-CB 3.29Å; I73-S77 PolarHBondContact O-N 3.43Å; I73-S77 PolarHBondContact O-OG 3.31Å; M74-S77 PolarHBondContact O-N 2.88Å; M74-S77 VanDerWaalsContact O-N 3.16Å; E75-S77 PolarHBondContact O-N 3.38Å; S77-Q81 PolarHBondContact O-N 3.26Å; S77-Q81 VanDerWaalsContact O-N 3.15Å; S77-I82 PolarHBondContact O-N 3.35Å; S77-Y106 WeakPolarHBondContact CB-OH 3.45Å; S77-Y106 PolarHBondContact O-OH 2.92Å
78	V	86.7	Confident	75.4	Confident	6 Å²	6	57.4 Å²	57.4	4%	0.036	28%	0.282	C	S	.	.	H	α-helix	trans	-65.6	-49.7	173.8	162.8	0	0	0	0	110.8	M74 E75 N80 Q81 Y106 L109 M110 Y113	M74-V78 WeakPolarHBondContact O-CB 3.31Å; M74-V78 WeakPolarHBondContact O-CG2 3.45Å; M74-V78 PolarHBondContact O-N 3.1Å; E75-V78 PolarHBondContact O-N 3.49Å; V78-N80 VanDerWaalsContact C-N 3.25Å; V78-N80 PolarHBondContact O-N 3.22Å; V78-Q81 PolarHBondContact O-N 3.06Å; V78-Y106 HydrophobicContact CG2-CD2 4.46Å; V78-Y106 HydrophobicContact CG2-CE2 3.95Å; V78-L109 HydrophobicContact CG2-CD2 4.1Å; V78-L109 HydrophobicContact CG2-CG 4.33Å; V78-M110 HydrophobicContact CG1-CB 4.47Å; V78-M110 HydrophobicContact CG2-CB 4.28Å; V78-Y113 HydrophobicContact CG1-CD1 3.79Å; V78-Y113 HydrophobicContact CG1-CD2 4.02Å; V78-Y113 HydrophobicContact CG1-CG 3.46Å; V78-Y113 VanDerWaalsContact CG1-CG 3.46Å
79	K	86.4	Confident	73.8	Confident	86 Å²	86	54.6 Å²	54.6	37%	0.374	28%	0.277	S	S	.	.	H	α-helix	trans	-59.9	-33.7	-179.3	179.5	-178.4	171.5	-167.4	0	113	E24 E75 Y76 Y113	E24-K79 IonicContact OE1-NZ 2.73Å; E75-K79 WeakPolarHBondContact O-CB 3.32Å; E75-K79 PolarHBondContact O-N 3.44Å; Y76-K79 PolarHBondContact O-N 3.25Å; K79-Y113 HydrophobicContact CB-CE1 4.05Å; K79-Y113 HydrophobicContact CG-CE1 4.26Å
80	N	85.9	Confident	72.3	Confident	28 Å²	28	55.8 Å²	55.8	15%	0.15	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	14.6	-179	-63.3	-67.1	0	0	0	113.6	Y76 V78 I82 Y293	Y76-N80 WeakPolarHBondContact CD2-ND2 3.39Å; Y76-N80 WeakPolarHBondContact CE2-ND2 3.33Å; Y76-N80 WeakPolarHBondContact O-CB 3.43Å; Y76-N80 PolarHBondContact O-N 2.9Å; Y76-N80 PolarHBondContact O-ND2 3.16Å; V78-N80 VanDerWaalsContact C-N 3.25Å; V78-N80 PolarHBondContact O-N 3.22Å; N80-I82 VanDerWaalsContact C-N 3.27Å; N80-I82 HydrophobicContact CB-CD1 4.2Å; N80-I82 HydrophobicContact CB-CG1 3.95Å; N80-I82 PolarHBondContact O-N 2.91Å; N80-Y293 VanDerWaalsContact OD1-CD1 3.3Å; N80-Y293 WeakPolarHBondContact OD1-CD1 3.36Å
81	Q	90.3	Very high	70.9	Confident	8 Å²	8	63 Å²	63	4%	0.037	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	43.6	176.5	-57	179.7	-24.5	0	0	113.3	S77 V78 M110 S114 L120 P122 H124 L125	S77-Q81 PolarHBondContact O-N 3.26Å; S77-Q81 VanDerWaalsContact O-N 3.15Å; V78-Q81 PolarHBondContact O-N 3.06Å; Q81-M110 HydrophobicContact CB-SD 4.18Å; Q81-M110 HydrophobicContact CG-SD 4.01Å; Q81-S114 PolarHBondContact NE2-OG 3.06Å; Q81-L120 PolarHBondContact NE2-O 2.97Å; Q81-P122 HydrophobicContact CB-CB 4.21Å; Q81-P122 HydrophobicContact CG-CB 4.4Å; Q81-H124 PolarHBondContact O-NE2 3.04Å; Q81-L125 WeakPolarHBondContact O-CD1 3.25Å
82	I	86.6	Confident	69.3	Low	61 Å²	61	58.5 Å²	58.5	31%	0.313	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-78	137.9	-175.1	-57.4	-174.6	0	0	0	110.1	Y76 S77 N80 Y106	Y76-I82 HydrophobicContact CD1-CD1 3.88Å; Y76-I82 HydrophobicContact CE1-CD1 3.62Å; S77-I82 PolarHBondContact O-N 3.35Å; N80-I82 VanDerWaalsContact C-N 3.27Å; N80-I82 HydrophobicContact CB-CD1 4.2Å; N80-I82 HydrophobicContact CB-CG1 3.95Å; N80-I82 PolarHBondContact O-N 2.91Å; I82-Y106 WeakPolarHBondContact O-CE1 3.33Å; I82-Y106 PolarHBondContact O-OH 2.87Å
83	R	86.9	Confident	67.5	Low	97 Å²	97	57.2 Å²	57.2	37%	0.366	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-63	134.1	174.6	-167.5	168.3	178.8	141.2	2.7	111.5	R85 Y107 L125 D127	R83-R85 PolarHBondContact O-N 2.99Å; R83-Y107 WeakPolarHBondContact CG-OH 3.47Å; R83-L125 HydrophobicContact CB-CD2 3.54Å; R83-L125 HydrophobicContact CG-CD2 3.72Å; R83-D127 IonicContact CZ-OD1 3.82Å; R83-D127 IonicContact CZ-OD2 2.68Å; R83-D127 IonicContact NH1-OD1 3.33Å; R83-D127 PolarHBondContact NH1-OD1 3.18Å; R83-D127 IonicContact NH1-OD2 3.8Å; R83-D127 PolarHBondContact NH1-OD2 3.46Å; R83-D127 IonicContact NH2-OD2 3.82Å; R83-D127 PolarHBondContact NH2-OD2 3Å
84	Y	78.7	Confident	65.8	Low	27 Å²	27	59.7 Å²	59.7	11%	0.106	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-63.2	127.2	171.9	-171.9	-103.6	0	0	0	110.2	T86 M90 E103 Y106 Y107	Y84-T86 HydrophobicContact CE1-CG2 3.89Å; Y84-M90 HydrophobicContact CD2-CE 3.8Å; Y84-M90 HydrophobicContact CE2-CE 3.91Å; Y84-E103 HydrophobicContact CD1-CB 3.94Å; Y84-E103 HydrophobicContact CD1-CG 3.7Å; Y84-E103 HydrophobicContact CE1-CB 4.02Å; Y84-E103 HydrophobicContact CE1-CG 4.29Å; Y84-E103 HydrophobicContact CG-CG 4.18Å; Y84-Y106 HydrophobicContact CD2-CD1 4.11Å; Y84-Y106 HydrophobicContact CD2-CG 4.09Å; Y84-Y106 HydrophobicContact CG-CD1 4.37Å; Y84-Y107 WeakPolarHBondContact CB-OH 3.37Å; Y84-Y107 PolarHBondContact N-OH 3.12Å
85	R	67.9	Low	63.9	Low	159 Å²	159	62.4 Å²	62.4	60%	0.6	32%	0.32	S	S	*	.			trans	-134.7	122.9	174.3	-69.8	-171.7	-175	169.7	4.4	111	R83 G87	R83-R85 PolarHBondContact O-N 2.99Å; R85-G87 VanDerWaalsContact C-N 3.27Å; R85-G87 PolarHBondContact O-N 3.14Å
86	T	53.7	Low	62	Low	130 Å²	130	59.4 Å²	59.4	80%	0.798	31%	0.307	S	S	*	.			trans	-81.4	66.4	167.8	33.3	0	0	0	0	110.4	Y84	Y84-T86 HydrophobicContact CE1-CG2 3.89Å
87	G	44.4	Very low	59.9	Low	44 Å²	44	69 Å²	69	45%	0.454	34%	0.343	S	S	.	.	S	Bend	trans	-163.3	131.6	-179.2	0	0	0	0	0	114.2	R85 G89 M90	R85-G87 VanDerWaalsContact C-N 3.27Å; R85-G87 PolarHBondContact O-N 3.14Å; G87-G89 VanDerWaalsContact C-N 3.26Å; G87-G89 PolarHBondContact O-N 3.1Å; G87-M90 PolarHBondContact O-N 2.88Å
88	L	39.5	Very low	58	Low	148 Å²	148	77.3 Å²	77.3	78%	0.775	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	27.4	-51.5	170.7	-86.6	139.2	0	0	0	120.6
89	G	41.1	Very low	56.2	Low	30 Å²	30	77.9 Å²	77.9	31%	0.309	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-73.3	-26.4	176.7	0	0	0	0	0	113.9	G87	G87-G89 VanDerWaalsContact C-N 3.26Å; G87-G89 PolarHBondContact O-N 3.1Å
90	M	42.1	Very low	54.1	Low	26 Å²	26	81.2 Å²	81.2	13%	0.128	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-102.5	25.2	174.8	-97	173.7	66.5	0	0	112.9	Y84 G87 N92 L93 S94	Y84-M90 HydrophobicContact CD2-CE 3.8Å; Y84-M90 HydrophobicContact CE2-CE 3.91Å; G87-M90 PolarHBondContact O-N 2.88Å; M90-N92 PolarHBondContact O-N 3.39Å; M90-L93 HydrophobicContact CB-CB 4.35Å; M90-L93 HydrophobicContact CE-CB 3.67Å; M90-L93 HydrophobicContact CE-CD1 3.53Å; M90-L93 HydrophobicContact CE-CG 4.1Å; M90-L93 HydrophobicContact CG-CB 4.19Å; M90-L93 HydrophobicContact CG-CD1 4.11Å; M90-L93 PolarHBondContact O-N 3Å; M90-L93 HydrophobicContact SD-CD1 4.12Å; M90-S94 PolarHBondContact O-N 2.96Å
91	R	40	Very low	52.5	Low	171 Å²	171	85.6 Å²	85.6	65%	0.645	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-25.5	169.7	-107.4	-175.9	176.8	163.5	0.1	112.4	S94 T95	R91-S94 WeakPolarHBondContact CA-OG 3.34Å; R91-S94 PolarHBondContact O-OG 2.89Å; R91-T95 PolarHBondContact O-OG1 2.89Å
92	N	44.9	Very low	51.5	Low	14 Å²	14	88.7 Å²	88.7	8%	0.075	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-45.3	174.3	-56.6	-29.4	0	0	0	111.8	C31 W33 Y69 E70 I73 M90 S94 T95	C31-N92 PolarHBondContact O-ND2 3.32Å; W33-N92 PolarHBondContact N-OD1 2.8Å; Y69-N92 VanDerWaalsContact CE1-ND2 3.33Å; Y69-N92 WeakPolarHBondContact CE1-ND2 3.2Å; E70-N92 VanDerWaalsContact CD-O 3.24Å; E70-N92 HydrophobicContact CG-CB 4.27Å; E70-N92 VanDerWaalsContact CG-O 3.25Å; E70-N92 WeakPolarHBondContact CG-O 3.46Å; E70-N92 VanDerWaalsContact OE1-O 3.13Å; I73-N92 HydrophobicContact CD1-CB 3.38Å; I73-N92 VanDerWaalsContact CD1-ND2 3.34Å; I73-N92 WeakPolarHBondContact CD1-ND2 3.23Å; M90-N92 PolarHBondContact O-N 3.39Å; N92-S94 VanDerWaalsContact C-N 3.27Å; N92-S94 PolarHBondContact O-N 2.97Å; N92-T95 PolarHBondContact O-N 3.47Å; N92-T95 PolarHBondContact O-OG1 3.47Å
93	L	40.4	Very low	51.1	Low	8 Å²	8	89.9 Å²	89.9	4%	0.042	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-68.3	-27.8	176.1	-103.7	150.1	0	0	0	112.5	I73 M74 M90 T95 I96	I73-L93 HydrophobicContact CB-CD1 4.33Å; I73-L93 HydrophobicContact CG2-CD1 3.47Å; I73-L93 VanDerWaalsContact CG2-CD1 3.47Å; I73-L93 HydrophobicContact CG2-CG 4.24Å; M74-L93 HydrophobicContact CB-CD2 4.28Å; M74-L93 HydrophobicContact CE-CD2 3.99Å; M74-L93 HydrophobicContact CG-CD2 4.45Å; M90-L93 HydrophobicContact CB-CB 4.35Å; M90-L93 HydrophobicContact CE-CB 3.67Å; M90-L93 HydrophobicContact CE-CD1 3.53Å; M90-L93 HydrophobicContact CE-CG 4.1Å; M90-L93 HydrophobicContact CG-CB 4.19Å; M90-L93 HydrophobicContact CG-CD1 4.11Å; M90-L93 PolarHBondContact O-N 3Å; M90-L93 HydrophobicContact SD-CD1 4.12Å; L93-T95 PolarHBondContact O-N 3.3Å; L93-I96 HydrophobicContact CD2-CD1 3.7Å; L93-I96 HydrophobicContact CG-CD1 4.39Å; L93-I96 PolarHBondContact O-N 2.87Å
94	S	39.6	Very low	51	Low	62 Å²	62	90.1 Å²	90.1	43%	0.434	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-63.5	-11.2	176	73.1	0	0	0	0	114.7	M90 R91 N92	M90-S94 PolarHBondContact O-N 2.96Å; R91-S94 WeakPolarHBondContact CA-OG 3.34Å; R91-S94 PolarHBondContact O-OG 2.89Å; N92-S94 VanDerWaalsContact C-N 3.27Å; N92-S94 PolarHBondContact O-N 2.97Å
95	T	37.7	Very low	51.3	Low	85 Å²	85	92.7 Å²	92.7	52%	0.521	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-93.6	-10.3	173.6	5.7	0	0	0	0	114.9	E70 R91 N92 L93 R97	E70-T95 WeakPolarHBondContact OE1-CB 3.23Å; E70-T95 PolarHBondContact OE1-OG1 3.41Å; R91-T95 PolarHBondContact O-OG1 2.89Å; N92-T95 PolarHBondContact O-N 3.47Å; N92-T95 PolarHBondContact O-OG1 3.47Å; L93-T95 PolarHBondContact O-N 3.3Å; T95-R97 PolarHBondContact O-N 3.48Å
96	I	41	Very low	52.2	Low	30 Å²	30	85.2 Å²	85.2	15%	0.154	43%	0.428	C	S	.	.			trans	-72.3	87.1	167.8	-52.4	-178.4	0	0	0	107	E70 M74 L93 E98 I99 R100	E70-I96 HydrophobicContact CB-CD1 3.89Å; E70-I96 HydrophobicContact CB-CG1 3.88Å; E70-I96 HydrophobicContact CG-CG1 4.41Å; M74-I96 HydrophobicContact CE-CD1 3.19Å; M74-I96 HydrophobicContact CE-CG2 4.34Å; L93-I96 HydrophobicContact CD2-CD1 3.7Å; L93-I96 HydrophobicContact CG-CD1 4.39Å; L93-I96 PolarHBondContact O-N 2.87Å; I96-E98 PolarHBondContact O-N 3.34Å; I96-I99 HydrophobicContact CG2-CB 4.43Å; I96-I99 HydrophobicContact CG2-CG1 4.25Å; I96-I99 PolarHBondContact O-N 2.91Å; I96-R100 PolarHBondContact O-N 3.38Å; I96-R100 VanDerWaalsContact O-N 3.11Å
97	R	38.5	Very low	53.9	Low	223 Å²	223	79 Å²	79	84%	0.842	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-25.4	-178.1	-79.6	-177.9	176.4	179.6	-2	113.4	T95	T95-R97 PolarHBondContact O-N 3.48Å
98	E	46.2	Very low	56.2	Low	181 Å²	181	81.6 Å²	81.6	85%	0.846	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-24.2	-179.9	-74.8	178.7	166.5	0	0	114.1	I96	I96-E98 PolarHBondContact O-N 3.34Å
99	I	47.6	Very low	58.5	Low	17 Å²	17	78 Å²	78	9%	0.087	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-11.4	179.7	-57	-170.4	0	0	0	112.6	M74 I96 D101 N102	M74-I99 HydrophobicContact CE-CD1 3.27Å; M74-I99 HydrophobicContact CE-CG1 4.33Å; M74-I99 HydrophobicContact SD-CD1 3.64Å; I96-I99 HydrophobicContact CG2-CB 4.43Å; I96-I99 HydrophobicContact CG2-CG1 4.25Å; I96-I99 PolarHBondContact O-N 2.91Å; I99-D101 PolarHBondContact O-N 2.96Å; I99-N102 PolarHBondContact O-N 2.88Å
100	R	42.4	Very low	61	Low	157 Å²	157	76.6 Å²	76.6	59%	0.592	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	-30.2	175.2	-160.2	-169.7	79.4	173.1	4.9	112.7	I96	I96-R100 PolarHBondContact O-N 3.38Å; I96-R100 VanDerWaalsContact O-N 3.11Å
101	D	52.7	Low	63.5	Low	120 Å²	120	76 Å²	76	64%	0.642	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	11.8	-171.9	-58.1	-18.9	0	0	0	113.9	I99	I99-D101 PolarHBondContact O-N 2.96Å
102	N	70.2	Confident	66.1	Low	73 Å²	73	69 Å²	69	39%	0.39	34%	0.335	S	S	.	.			trans	-146.9	81.3	176.6	-146.4	-0.8	0	0	0	115.5	I99 E104 H105 Y106	I99-N102 PolarHBondContact O-N 2.88Å; N102-E104 PolarHBondContact O-N 2.86Å; N102-E104 WeakPolarHBondContact OD1-CB 3.47Å; N102-H105 HydrophobicContact CB-CB 3.81Å; N102-H105 WeakPolarHBondContact O-CB 3.21Å; N102-H105 PolarHBondContact O-N 2.61Å; N102-Y106 PolarHBondContact O-N 2.83Å
103	E	77.6	Confident	68.4	Low	85 Å²	85	71.7 Å²	71.7	40%	0.397	35%	0.345	S	S	.	.	H	α-helix	trans	-53.8	-38.1	170.4	174.7	169.9	-168.3	0	0	112.1	Y84 H105 Y106 Y107	Y84-E103 HydrophobicContact CD1-CB 3.94Å; Y84-E103 HydrophobicContact CD1-CG 3.7Å; Y84-E103 HydrophobicContact CE1-CB 4.02Å; Y84-E103 HydrophobicContact CE1-CG 4.29Å; Y84-E103 HydrophobicContact CG-CG 4.18Å; E103-H105 PolarHBondContact O-N 2.9Å; E103-Y106 WeakPolarHBondContact O-CB 3.43Å; E103-Y106 PolarHBondContact O-N 3Å; E103-Y107 HydrophobicContact CG-CD2 3.84Å; E103-Y107 HydrophobicContact CG-CE2 3.39Å; E103-Y107 WeakPolarHBondContact O-CD2 3.39Å; E103-Y107 PolarHBondContact O-N 3.31Å; E103-Y107 WeakPolarHBondContact OE1-CE2 3.43Å
104	E	84.4	Confident	70.9	Confident	103 Å²	103	71.3 Å²	71.3	48%	0.481	34%	0.343	S	S	.	.	H	α-helix	trans	-57.2	-49.2	176.2	-163.6	180	164.1	0	0	111.1	N102 Y106 Y107 E108 L133	N102-E104 PolarHBondContact O-N 2.86Å; N102-E104 WeakPolarHBondContact OD1-CB 3.47Å; E104-Y106 VanDerWaalsContact C-N 3.29Å; E104-Y106 PolarHBondContact O-N 3.01Å; E104-Y107 PolarHBondContact O-N 2.56Å; E104-Y107 VanDerWaalsContact O-N 3.11Å; E104-E108 WeakPolarHBondContact O-CG 3.27Å; E104-E108 PolarHBondContact O-N 3.44Å; E104-L133 HydrophobicContact CB-CD2 4.47Å; E104-L133 HydrophobicContact CG-CD2 3.35Å
105	H	85.2	Confident	73.5	Confident	81 Å²	81	71.2 Å²	71.2	38%	0.375	33%	0.333	S	S	.	.	H	α-helix	trans	-61.2	-35.8	179.6	-174.2	58.8	0	0	0	113.2	N102 E103 E108 L109	N102-H105 HydrophobicContact CB-CB 3.81Å; N102-H105 WeakPolarHBondContact O-CB 3.21Å; N102-H105 PolarHBondContact O-N 2.61Å; E103-H105 PolarHBondContact O-N 2.9Å; H105-E108 IonicContact ND1-OE2 3.51Å; H105-E108 PolarHBondContact O-N 3.24Å; H105-L109 WeakPolarHBondContact O-CB 3.39Å; H105-L109 PolarHBondContact O-N 2.97Å
106	Y	86.5	Confident	76.1	Confident	1 Å²	1	71.9 Å²	71.9	0%	0.004	33%	0.333	C	S	.	.	H	α-helix	trans	-62.2	-46.6	175	168.6	-97.7	0	0	0	111.3	S77 V78 I82 Y84 N102 E103 E104 L109 M110	S77-Y106 WeakPolarHBondContact CB-OH 3.45Å; S77-Y106 PolarHBondContact O-OH 2.92Å; V78-Y106 HydrophobicContact CG2-CD2 4.46Å; V78-Y106 HydrophobicContact CG2-CE2 3.95Å; I82-Y106 WeakPolarHBondContact O-CE1 3.33Å; I82-Y106 PolarHBondContact O-OH 2.87Å; Y84-Y106 HydrophobicContact CD2-CD1 4.11Å; Y84-Y106 HydrophobicContact CD2-CG 4.09Å; Y84-Y106 HydrophobicContact CG-CD1 4.37Å; N102-Y106 PolarHBondContact O-N 2.83Å; E103-Y106 WeakPolarHBondContact O-CB 3.43Å; E103-Y106 PolarHBondContact O-N 3Å; E104-Y106 VanDerWaalsContact C-N 3.29Å; E104-Y106 PolarHBondContact O-N 3.01Å; Y106-L109 PolarHBondContact O-N 3.46Å; Y106-M110 WeakPolarHBondContact O-CB 3.49Å; Y106-M110 PolarHBondContact O-N 3.37Å
107	Y	90.6	Very high	78.6	Confident	1 Å²	1	75 Å²	75	0%	0.004	35%	0.347	C	S	.	.	H	α-helix	trans	-70.9	-33.7	179.1	-67	-63.3	0	0	0	112.4	R83 Y84 E103 E104 M110 L111 L125 V128	R83-Y107 WeakPolarHBondContact CG-OH 3.47Å; Y84-Y107 WeakPolarHBondContact CB-OH 3.37Å; Y84-Y107 PolarHBondContact N-OH 3.12Å; E103-Y107 HydrophobicContact CG-CD2 3.84Å; E103-Y107 HydrophobicContact CG-CE2 3.39Å; E103-Y107 WeakPolarHBondContact O-CD2 3.39Å; E103-Y107 PolarHBondContact O-N 3.31Å; E103-Y107 WeakPolarHBondContact OE1-CE2 3.43Å; E104-Y107 PolarHBondContact O-N 2.56Å; E104-Y107 VanDerWaalsContact O-N 3.11Å; Y107-M110 HydrophobicContact CD1-CE 3.61Å; Y107-M110 HydrophobicContact CE1-CE 4.32Å; Y107-M110 PolarHBondContact O-N 2.94Å; Y107-L111 WeakPolarHBondContact O-CB 3.17Å; Y107-L111 WeakPolarHBondContact O-CG 3.47Å; Y107-L111 PolarHBondContact O-N 3.44Å; Y107-L125 HydrophobicContact CD1-CD1 4.43Å; Y107-L125 HydrophobicContact CE1-CD1 4.05Å; Y107-V128 HydrophobicContact CD2-CG1 3.53Å; Y107-V128 HydrophobicContact CE2-CB 4.08Å; Y107-V128 HydrophobicContact CE2-CG1 3.21Å; Y107-V128 HydrophobicContact CE2-CG2 4.48Å; Y107-V128 HydrophobicContact CG-CG1 4.31Å
108	E	91	Very high	81.2	Confident	97 Å²	97	65.5 Å²	65.5	45%	0.453	31%	0.313	S	S	.	.	H	α-helix	trans	-59.1	-48.2	170.3	-71.9	-178	149.7	0	0	111.7	E104 H105 M110 L111 G112 L133	E104-E108 WeakPolarHBondContact O-CG 3.27Å; E104-E108 PolarHBondContact O-N 3.44Å; H105-E108 IonicContact ND1-OE2 3.51Å; H105-E108 PolarHBondContact O-N 3.24Å; E108-M110 VanDerWaalsContact C-N 3.33Å; E108-M110 PolarHBondContact O-N 3.28Å; E108-L111 PolarHBondContact O-N 3.48Å; E108-G112 PolarHBondContact O-N 3.04Å; E108-L133 HydrophobicContact CG-CD1 4.45Å; E108-L133 HydrophobicContact CG-CD2 3.77Å
109	L	89.5	Confident	83.4	Confident	74 Å²	74	57.4 Å²	57.4	39%	0.387	28%	0.275	S	S	.	.	H	α-helix	trans	-61.4	-43.4	177	-177.1	69.4	0	0	0	110.9	M74 V78 H105 Y106 G112 Y113	M74-L109 HydrophobicContact SD-CD2 4.13Å; V78-L109 HydrophobicContact CG2-CD2 4.1Å; V78-L109 HydrophobicContact CG2-CG 4.33Å; H105-L109 WeakPolarHBondContact O-CB 3.39Å; H105-L109 PolarHBondContact O-N 2.97Å; Y106-L109 PolarHBondContact O-N 3.46Å; L109-G112 PolarHBondContact O-N 3.43Å; L109-Y113 WeakPolarHBondContact O-CB 2.89Å; L109-Y113 PolarHBondContact O-N 3.21Å
110	M	92.3	Very high	85.7	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.1	-44.2	179.8	-178.4	-89	-65.4	0	0	112.6	V78 Q81 Y106 Y107 E108 Y113 S114 P122 L125	V78-M110 HydrophobicContact CG1-CB 4.47Å; V78-M110 HydrophobicContact CG2-CB 4.28Å; Q81-M110 HydrophobicContact CB-SD 4.18Å; Q81-M110 HydrophobicContact CG-SD 4.01Å; Y106-M110 WeakPolarHBondContact O-CB 3.49Å; Y106-M110 PolarHBondContact O-N 3.37Å; Y107-M110 HydrophobicContact CD1-CE 3.61Å; Y107-M110 HydrophobicContact CE1-CE 4.32Å; Y107-M110 PolarHBondContact O-N 2.94Å; E108-M110 VanDerWaalsContact C-N 3.33Å; E108-M110 PolarHBondContact O-N 3.28Å; M110-Y113 PolarHBondContact O-N 3.37Å; M110-S114 VanDerWaalsContact O-CB 3.29Å; M110-S114 WeakPolarHBondContact O-CB 3.36Å; M110-S114 PolarHBondContact O-N 2.96Å; M110-S114 PolarHBondContact O-OG 2.66Å; M110-P122 HydrophobicContact CE-CG 4.16Å; M110-P122 HydrophobicContact SD-CG 4.15Å; M110-L125 HydrophobicContact CE-CD1 3.4Å
111	L	94.4	Very high	88.2	Confident	13 Å²	13	49.3 Å²	49.3	7%	0.068	24%	0.244	C	C	.	.	H	α-helix	trans	-67.4	-39.6	175.3	-71.3	178.5	0	0	0	111.9	Y107 E108 S114 R115 P122 V129 L133 V135 Y140	Y107-L111 WeakPolarHBondContact O-CB 3.17Å; Y107-L111 WeakPolarHBondContact O-CG 3.47Å; Y107-L111 PolarHBondContact O-N 3.44Å; E108-L111 PolarHBondContact O-N 3.48Å; L111-S114 PolarHBondContact O-N 3.28Å; L111-R115 WeakPolarHBondContact O-CB 3.26Å; L111-R115 PolarHBondContact O-N 3.39Å; L111-P122 HydrophobicContact CD2-CG 3.87Å; L111-V129 HydrophobicContact CD1-CG1 3.63Å; L111-V129 HydrophobicContact CD1-CG2 4.26Å; L111-V129 HydrophobicContact CD2-CG1 4.19Å; L111-V129 HydrophobicContact CD2-CG2 4.28Å; L111-V129 HydrophobicContact CG-CG1 4.47Å; L111-L133 HydrophobicContact CD1-CD1 3.51Å; L111-L133 HydrophobicContact CG-CD1 4.48Å; L111-V135 HydrophobicContact CD1-CB 4.44Å; L111-V135 HydrophobicContact CD1-CG1 4.49Å; L111-Y140 HydrophobicContact CD2-CD2 4.41Å; L111-Y140 HydrophobicContact CD2-CE2 4.37Å
112	G	94.4	Very high	90.2	Very high	24 Å²	24	43.6 Å²	43.6	25%	0.247	21%	0.213	C	C	.	.	H	α-helix	trans	-60.4	-46.6	175	0	0	0	0	0	111.8	E108 L109 N116	E108-G112 PolarHBondContact O-N 3.04Å; L109-G112 PolarHBondContact O-N 3.43Å; G112-N116 WeakPolarHBondContact O-CB 3.42Å; G112-N116 PolarHBondContact O-N 3.07Å; G112-N116 VanDerWaalsContact O-N 3.1Å; G112-N116 PolarHBondContact O-ND2 3.07Å; G112-N116 VanDerWaalsContact O-ND2 3.14Å
113	Y	93.4	Very high	91.4	Very high	70 Å²	70	41 Å²	41	28%	0.275	20%	0.198	S	C	.	.	H	α-helix	trans	-61.7	-50.3	174	-178.9	-85.2	0	0	0	111.7	V78 K79 L109 M110 R115 N116 H117 M119	V78-Y113 HydrophobicContact CG1-CD1 3.79Å; V78-Y113 HydrophobicContact CG1-CD2 4.02Å; V78-Y113 HydrophobicContact CG1-CG 3.46Å; V78-Y113 VanDerWaalsContact CG1-CG 3.46Å; K79-Y113 HydrophobicContact CB-CE1 4.05Å; K79-Y113 HydrophobicContact CG-CE1 4.26Å; L109-Y113 WeakPolarHBondContact O-CB 2.89Å; L109-Y113 PolarHBondContact O-N 3.21Å; M110-Y113 PolarHBondContact O-N 3.37Å; Y113-R115 VanDerWaalsContact C-N 3.32Å; Y113-R115 PolarHBondContact O-N 3.24Å; Y113-N116 PolarHBondContact O-N 2.63Å; Y113-H117 AromaticContact CD1-ND1 3.74Å; Y113-H117 AromaticContact CD2-CE1 3.47Å; Y113-H117 VanDerWaalsContact CD2-CE1 3.47Å; Y113-H117 WeakPolarHBondContact CD2-CE1 3.36Å; Y113-H117 AromaticContact CD2-ND1 3.7Å; Y113-H117 AromaticContact CE1-CE1 3.99Å; Y113-H117 AromaticContact CE1-ND1 3.63Å; Y113-H117 AromaticContact CE2-CE1 3.16Å; Y113-H117 WeakPolarHBondContact CE2-CE1 3.49Å; Y113-H117 AromaticContact CE2-ND1 3.62Å; Y113-H117 AromaticContact CE2-NE2 3.83Å; Y113-H117 AromaticContact CG-ND1 3.76Å; Y113-H117 AromaticContact CZ-CE1 3.43Å; Y113-H117 VanDerWaalsContact CZ-CE1 3.43Å; Y113-H117 AromaticContact CZ-ND1 3.56Å; Y113-H117 AromaticContact CZ-NE2 3.85Å; Y113-H117 PolarHBondContact O-N 3.16Å; Y113-H117 PolarHBondContact O-ND1 2.77Å; Y113-M119 HydrophobicContact CD1-CE 4.37Å; Y113-M119 HydrophobicContact CD1-SD 4.29Å; Y113-M119 HydrophobicContact CE1-CE 3.64Å; Y113-M119 HydrophobicContact CE1-SD 4.13Å
114	S	94.4	Very high	92.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.3	-44.9	-179.1	-63.4	0	0	0	0	111.5	Q81 M110 L111 H117 L118 M119 Y140	Q81-S114 PolarHBondContact NE2-OG 3.06Å; M110-S114 VanDerWaalsContact O-CB 3.29Å; M110-S114 WeakPolarHBondContact O-CB 3.36Å; M110-S114 PolarHBondContact O-N 2.96Å; M110-S114 PolarHBondContact O-OG 2.66Å; L111-S114 PolarHBondContact O-N 3.28Å; S114-H117 CarbonylContact O-C 3.48Å; S114-H117 PolarHBondContact O-N 3.35Å; S114-L118 PolarHBondContact O-N 2.8Å; S114-L118 VanDerWaalsContact O-N 3.09Å; S114-M119 WeakPolarHBondContact O-CB 3.41Å; S114-M119 PolarHBondContact O-N 3.06Å; S114-Y140 WeakPolarHBondContact CB-OH 3.19Å; S114-Y140 PolarHBondContact O-OH 3.33Å
115	R	94.4	Very high	92.6	Very high	60 Å²	60	35.4 Å²	35.4	23%	0.226	17%	0.172	C	C	.	.	H	α-helix	trans	-65.6	-43.8	179.2	-164.9	176.4	76.2	-136.9	-11.8	112.1	L111 Y113 H117 L118 Y140 M144 D147	L111-R115 WeakPolarHBondContact O-CB 3.26Å; L111-R115 PolarHBondContact O-N 3.39Å; Y113-R115 VanDerWaalsContact C-N 3.32Å; Y113-R115 PolarHBondContact O-N 3.24Å; R115-H117 PolarHBondContact O-N 3.44Å; R115-L118 PolarHBondContact O-N 3.23Å; R115-L118 VanDerWaalsContact O-N 3.11Å; R115-Y140 WeakPolarHBondContact CA-OH 3.36Å; R115-Y140 HydrophobicContact CB-CE2 3.74Å; R115-Y140 HydrophobicContact CG-CE2 4.22Å; R115-Y140 PolarHBondContact N-OH 2.9Å; R115-M144 HydrophobicContact CG-CB 3.9Å; R115-M144 HydrophobicContact CG-CE 4.28Å; R115-M144 HydrophobicContact CG-CG 4.28Å; R115-D147 IonicContact CZ-OD2 3.8Å; R115-D147 IonicContact NE-OD2 3.68Å; R115-D147 PolarHBondContact NE-OD2 3.04Å; R115-D147 IonicContact NH2-OD2 3.57Å; R115-D147 PolarHBondContact NH2-OD2 2.85Å
116	N	92.2	Very high	93	Very high	99 Å²	99	32 Å²	32	53%	0.529	16%	0.157	S	C	.	.	H	α-helix	trans	-63.1	-30.4	178.9	-72.9	-21.7	0	0	0	112.6	G112 Y113	G112-N116 WeakPolarHBondContact O-CB 3.42Å; G112-N116 PolarHBondContact O-N 3.07Å; G112-N116 VanDerWaalsContact O-N 3.1Å; G112-N116 PolarHBondContact O-ND2 3.07Å; G112-N116 VanDerWaalsContact O-ND2 3.14Å; Y113-N116 PolarHBondContact O-N 2.63Å
117	H	91.8	Very high	93.2	Very high	97 Å²	97	34.3 Å²	34.3	45%	0.449	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	11.3	177.5	-63.2	84.5	0	0	0	113.3	Y113 S114 R115 M119	Y113-H117 AromaticContact CD1-ND1 3.74Å; Y113-H117 AromaticContact CD2-CE1 3.47Å; Y113-H117 VanDerWaalsContact CD2-CE1 3.47Å; Y113-H117 WeakPolarHBondContact CD2-CE1 3.36Å; Y113-H117 AromaticContact CD2-ND1 3.7Å; Y113-H117 AromaticContact CE1-CE1 3.99Å; Y113-H117 AromaticContact CE1-ND1 3.63Å; Y113-H117 AromaticContact CE2-CE1 3.16Å; Y113-H117 WeakPolarHBondContact CE2-CE1 3.49Å; Y113-H117 AromaticContact CE2-ND1 3.62Å; Y113-H117 AromaticContact CE2-NE2 3.83Å; Y113-H117 AromaticContact CG-ND1 3.76Å; Y113-H117 AromaticContact CZ-CE1 3.43Å; Y113-H117 VanDerWaalsContact CZ-CE1 3.43Å; Y113-H117 AromaticContact CZ-ND1 3.56Å; Y113-H117 AromaticContact CZ-NE2 3.85Å; Y113-H117 PolarHBondContact O-N 3.16Å; Y113-H117 PolarHBondContact O-ND1 2.77Å; S114-H117 CarbonylContact O-C 3.48Å; S114-H117 PolarHBondContact O-N 3.35Å; R115-H117 PolarHBondContact O-N 3.44Å; H117-M119 HydrophobicContact CB-CE 4.01Å; H117-M119 HydrophobicContact CB-CG 4.01Å; H117-M119 HydrophobicContact CB-SD 4.44Å; H117-M119 PolarHBondContact O-N 3Å
118	L	93.4	Very high	93.2	Very high	22 Å²	22	35.3 Å²	35.3	12%	0.115	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	29.2	176.8	-52.1	177.9	0	0	0	114.1	S114 R115 M144 L148 T157 L158 P159 T162	S114-L118 PolarHBondContact O-N 2.8Å; S114-L118 VanDerWaalsContact O-N 3.09Å; R115-L118 PolarHBondContact O-N 3.23Å; R115-L118 VanDerWaalsContact O-N 3.11Å; L118-M144 HydrophobicContact CB-SD 4.43Å; L118-M144 HydrophobicContact CD2-CG 3.69Å; L118-M144 HydrophobicContact CD2-SD 3.92Å; L118-L148 HydrophobicContact CD1-CD1 4.46Å; L118-L148 HydrophobicContact CD2-CD1 4.26Å; L118-T157 WeakPolarHBondContact CD1-O 3.06Å; L118-T157 WeakPolarHBondContact CD1-OG1 3.16Å; L118-L158 HydrophobicContact CB-CD2 4.15Å; L118-L158 HydrophobicContact CD1-CD2 4.16Å; L118-L158 HydrophobicContact CD2-CD2 4.02Å; L118-L158 HydrophobicContact CG-CD2 4.33Å; L118-P159 HydrophobicContact CB-CG 4.5Å; L118-P159 VanDerWaalsContact O-CD 3.24Å; L118-P159 WeakPolarHBondContact O-CD 3.29Å; L118-P159 WeakPolarHBondContact O-CG 3.34Å; L118-T162 WeakPolarHBondContact O-CG2 3.47Å; L118-T162 PolarHBondContact O-OG1 3.38Å
119	M	94.1	Very high	93.3	Very high	11 Å²	11	30.7 Å²	30.7	5%	0.054	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-74	152.6	-179	-59.5	-176.2	163.5	0	0	111.5	Y113 S114 H117 Y140 M144 D292	Y113-M119 HydrophobicContact CD1-CE 4.37Å; Y113-M119 HydrophobicContact CD1-SD 4.29Å; Y113-M119 HydrophobicContact CE1-CE 3.64Å; Y113-M119 HydrophobicContact CE1-SD 4.13Å; S114-M119 WeakPolarHBondContact O-CB 3.41Å; S114-M119 PolarHBondContact O-N 3.06Å; H117-M119 HydrophobicContact CB-CE 4.01Å; H117-M119 HydrophobicContact CB-CG 4.01Å; H117-M119 HydrophobicContact CB-SD 4.44Å; H117-M119 PolarHBondContact O-N 3Å; M119-Y140 WeakPolarHBondContact O-CE1 3.41Å; M119-Y140 PolarHBondContact O-OH 3.48Å; M119-M144 WeakPolarHBondContact O-CE 3.39Å; M119-D292 VanDerWaalsContact CB-OD2 3.29Å; M119-D292 WeakPolarHBondContact CB-OD2 3.41Å; M119-D292 HydrophobicContact CE-CB 3.81Å; M119-D292 HydrophobicContact CG-CB 4.18Å; M119-D292 VanDerWaalsContact CG-OD2 3.24Å; M119-D292 WeakPolarHBondContact CG-OD2 3.44Å; M119-D292 HydrophobicContact SD-CB 4.47Å
120	L	94.3	Very high	93.4	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.016	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-57.4	145.8	173.1	-168.8	76.5	0	0	0	110.3	Q81 Y123 Y141 F161 T162 D165 F294 M298 V331	Q81-L120 PolarHBondContact NE2-O 2.97Å; L120-Y123 HydrophobicContact CD2-CD2 4.46Å; L120-Y141 WeakPolarHBondContact CD1-OH 3.42Å; L120-F161 HydrophobicContact CD1-CB 4.33Å; L120-T162 PolarHBondContact N-OG1 2.84Å; L120-D165 HydrophobicContact CD1-CB 4.04Å; L120-F294 HydrophobicContact CD2-CD1 4.23Å; L120-F294 HydrophobicContact CD2-CE1 3.95Å; L120-M298 HydrophobicContact CD2-CE 4.25Å; L120-V331 HydrophobicContact CD2-CB 4.49Å; L120-V331 HydrophobicContact CD2-CG1 3.71Å; L120-V331 HydrophobicContact CD2-CG2 3.97Å
121	F	96.3	Very high	93.2	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-57.3	133.6	171.9	179.7	-92.2	0	0	0	110.3	Y123 V129 V130 P137 Y140 Y141	F121-Y123 VanDerWaalsContact C-N 3.31Å; F121-Y123 HydrophobicContact CB-CE2 4.24Å; F121-Y123 AromaticContact CD1-CD1 3.94Å; F121-Y123 HydrophobicContact CD1-CD1 3.94Å; F121-Y123 HydrophobicContact CD1-CD2 4.22Å; F121-Y123 HydrophobicContact CD1-CE1 4.01Å; F121-Y123 HydrophobicContact CD1-CE2 4.29Å; F121-Y123 HydrophobicContact CD1-CG 4.05Å; F121-Y123 HydrophobicContact CE1-CD1 4.33Å; F121-Y123 VanDerWaalsContact O-CD2 3.24Å; F121-Y123 WeakPolarHBondContact O-CD2 3.44Å; F121-Y123 PolarHBondContact O-N 3.2Å; F121-V129 HydrophobicContact CE2-CG1 3.65Å; F121-V129 HydrophobicContact CZ-CB 4.15Å; F121-V129 HydrophobicContact CZ-CG1 3.62Å; F121-V130 HydrophobicContact CZ-CG2 4.26Å; F121-P137 HydrophobicContact CD1-CB 4.09Å; F121-P137 HydrophobicContact CD1-CG 3.79Å; F121-P137 HydrophobicContact CD2-CB 4.37Å; F121-P137 HydrophobicContact CE1-CB 4.4Å; F121-P137 HydrophobicContact CE1-CG 3.66Å; F121-P137 HydrophobicContact CE2-CG 4.39Å; F121-P137 HydrophobicContact CG-CB 4.07Å; F121-P137 HydrophobicContact CG-CG 4.23Å; F121-P137 HydrophobicContact CZ-CG 3.97Å; F121-Y140 HydrophobicContact CB-CD1 3.87Å; F121-Y140 HydrophobicContact CB-CE1 4.07Å; F121-Y140 AromaticContact CD2-CD1 3.89Å; F121-Y140 HydrophobicContact CD2-CD1 3.89Å; F121-Y140 HydrophobicContact CD2-CD2 4.3Å; F121-Y140 AromaticContact CD2-CG 3.74Å; F121-Y140 HydrophobicContact CD2-CG 3.74Å; F121-Y140 HydrophobicContact CG-CD1 4.38Å; F121-Y141 HydrophobicContact CB-CE1 4.46Å; F121-Y141 HydrophobicContact CB-CE2 3.95Å; F121-Y141 WeakPolarHBondContact CB-OH 3.49Å; F121-Y141 PolarHBondContact N-OH 3.11Å
122	P	94.7	Very high	92.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.173	C	C	.	.			trans	-75.7	79.2	-176.5	31.2	-36.6	0	0	0	111.6	Q81 M110 L111 H124 L125 V129	Q81-P122 HydrophobicContact CB-CB 4.21Å; Q81-P122 HydrophobicContact CG-CB 4.4Å; M110-P122 HydrophobicContact CE-CG 4.16Å; M110-P122 HydrophobicContact SD-CG 4.15Å; L111-P122 HydrophobicContact CD2-CG 3.87Å; P122-H124 VanDerWaalsContact C-N 3.26Å; P122-H124 PolarHBondContact O-N 2.84Å; P122-L125 HydrophobicContact CB-CB 4.25Å; P122-L125 HydrophobicContact CB-CD1 4.05Å; P122-L125 HydrophobicContact CB-CG 4.26Å; P122-L125 WeakPolarHBondContact O-CA 3.48Å; P122-L125 PolarHBondContact O-N 3.34Å; P122-V129 HydrophobicContact CG-CG2 4.43Å
123	Y	94.9	Very high	92.7	Very high	18 Å²	18	32.6 Å²	32.6	7%	0.071	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-57.4	-34	-176.1	-78.9	-75.6	0	0	0	114.1	L120 F121 L125 S126 P137 D165 R168 V331 Q334	L120-Y123 HydrophobicContact CD2-CD2 4.46Å; F121-Y123 VanDerWaalsContact C-N 3.31Å; F121-Y123 HydrophobicContact CB-CE2 4.24Å; F121-Y123 AromaticContact CD1-CD1 3.94Å; F121-Y123 HydrophobicContact CD1-CD1 3.94Å; F121-Y123 HydrophobicContact CD1-CD2 4.22Å; F121-Y123 HydrophobicContact CD1-CE1 4.01Å; F121-Y123 HydrophobicContact CD1-CE2 4.29Å; F121-Y123 HydrophobicContact CD1-CG 4.05Å; F121-Y123 HydrophobicContact CE1-CD1 4.33Å; F121-Y123 VanDerWaalsContact O-CD2 3.24Å; F121-Y123 WeakPolarHBondContact O-CD2 3.44Å; F121-Y123 PolarHBondContact O-N 3.2Å; Y123-L125 PolarHBondContact O-N 3.44Å; Y123-L125 VanDerWaalsContact O-N 3.14Å; Y123-S126 WeakPolarHBondContact CA-OG 3.28Å; Y123-S126 WeakPolarHBondContact O-CB 3.2Å; Y123-S126 PolarHBondContact O-N 3.41Å; Y123-S126 VanDerWaalsContact O-N 3.08Å; Y123-S126 PolarHBondContact O-OG 3.41Å; Y123-P137 HydrophobicContact CE1-CB 4.26Å; Y123-P137 HydrophobicContact CE1-CG 3.9Å; Y123-D165 WeakPolarHBondContact CE2-OD2 3.47Å; Y123-D165 VanDerWaalsContact CZ-OD2 3.27Å; Y123-D165 VanDerWaalsContact OH-CG 3.26Å; Y123-D165 PolarHBondContact OH-OD1 2.66Å; Y123-D165 PolarHBondContact OH-OD2 3.37Å; Y123-R168 PolarHBondContact OH-NH2 2.76Å; Y123-V331 HydrophobicContact CD2-CG2 4Å; Y123-Q334 VanDerWaalsContact CD1-OE1 3.24Å
124	H	92.6	Very high	92.6	Very high	72 Å²	72	33.5 Å²	33.5	33%	0.333	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-66.4	-9	174.6	62.4	-68.6	0	0	0	114.3	Q81 P122 N327	Q81-H124 PolarHBondContact O-NE2 3.04Å; P122-H124 VanDerWaalsContact C-N 3.26Å; P122-H124 PolarHBondContact O-N 2.84Å; H124-N327 PolarHBondContact ND1-ND2 3.04Å
125	L	94.1	Very high	92.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-113.4	13.5	175.3	-55.9	179.5	0	0	0	112.3	Q81 R83 Y107 M110 P122 Y123 D127 V128 V129	Q81-L125 WeakPolarHBondContact O-CD1 3.25Å; R83-L125 HydrophobicContact CB-CD2 3.54Å; R83-L125 HydrophobicContact CG-CD2 3.72Å; Y107-L125 HydrophobicContact CD1-CD1 4.43Å; Y107-L125 HydrophobicContact CE1-CD1 4.05Å; M110-L125 HydrophobicContact CE-CD1 3.4Å; P122-L125 HydrophobicContact CB-CB 4.25Å; P122-L125 HydrophobicContact CB-CD1 4.05Å; P122-L125 HydrophobicContact CB-CG 4.26Å; P122-L125 WeakPolarHBondContact O-CA 3.48Å; P122-L125 PolarHBondContact O-N 3.34Å; Y123-L125 PolarHBondContact O-N 3.44Å; Y123-L125 VanDerWaalsContact O-N 3.14Å; L125-D127 PolarHBondContact O-N 3.17Å; L125-D127 VanDerWaalsContact O-N 3.16Å; L125-V128 PolarHBondContact O-N 3.07Å; L125-V129 HydrophobicContact CB-CG2 4.09Å; L125-V129 WeakPolarHBondContact O-CB 3.45Å; L125-V129 WeakPolarHBondContact O-CG2 3.43Å; L125-V129 PolarHBondContact O-N 2.94Å
126	S	93.4	Very high	92.6	Very high	9 Å²	9	32.7 Å²	32.7	6%	0.063	17%	0.172	C	C	.	.	H	α-helix	trans	-55.3	-34.6	-179.3	-60.9	0	0	0	0	112.2	Y123 V128 V130	Y123-S126 WeakPolarHBondContact CA-OG 3.28Å; Y123-S126 WeakPolarHBondContact O-CB 3.2Å; Y123-S126 PolarHBondContact O-N 3.41Å; Y123-S126 VanDerWaalsContact O-N 3.08Å; Y123-S126 PolarHBondContact O-OG 3.41Å; S126-V128 VanDerWaalsContact C-N 3.26Å; S126-V128 PolarHBondContact O-N 2.92Å; S126-V130 WeakPolarHBondContact O-CB 3.06Å; S126-V130 WeakPolarHBondContact O-CG2 3.43Å; S126-V130 PolarHBondContact O-N 3.03Å
127	D	91.2	Very high	92.8	Very high	50 Å²	50	28.4 Å²	28.4	27%	0.267	15%	0.15	S	C	.	.	H	α-helix	trans	-62.8	-29.5	178.2	67.1	-41	0	0	0	113.6	R83 L125 K131 Y265	R83-D127 IonicContact CZ-OD1 3.82Å; R83-D127 IonicContact CZ-OD2 2.68Å; R83-D127 IonicContact NH1-OD1 3.33Å; R83-D127 PolarHBondContact NH1-OD1 3.18Å; R83-D127 IonicContact NH1-OD2 3.8Å; R83-D127 PolarHBondContact NH1-OD2 3.46Å; R83-D127 IonicContact NH2-OD2 3.82Å; R83-D127 PolarHBondContact NH2-OD2 3Å; L125-D127 PolarHBondContact O-N 3.17Å; L125-D127 VanDerWaalsContact O-N 3.16Å; D127-K131 WeakPolarHBondContact O-CB 3.37Å; D127-Y265 WeakPolarHBondContact CA-OH 3.45Å
128	V	90.3	Very high	93	Very high	21 Å²	21	24.5 Å²	24.5	13%	0.127	13%	0.131	C	C	.	.	H	α-helix	trans	-98.9	-37.3	177.3	-167.8	0	0	0	0	112	Y107 L125 S126 G132 L133	Y107-V128 HydrophobicContact CD2-CG1 3.53Å; Y107-V128 HydrophobicContact CE2-CB 4.08Å; Y107-V128 HydrophobicContact CE2-CG1 3.21Å; Y107-V128 HydrophobicContact CE2-CG2 4.48Å; Y107-V128 HydrophobicContact CG-CG1 4.31Å; L125-V128 PolarHBondContact O-N 3.07Å; S126-V128 VanDerWaalsContact C-N 3.26Å; S126-V128 PolarHBondContact O-N 2.92Å; V128-G132 WeakPolarHBondContact O-CA 3.48Å; V128-G132 PolarHBondContact O-N 3.35Å; V128-L133 PolarHBondContact O-N 2.9Å
129	V	93	Very high	93.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-74.3	-47.7	-177.7	172.1	0	0	0	0	111.7	L111 F121 P122 L125 L133 R134 V135	L111-V129 HydrophobicContact CD1-CG1 3.63Å; L111-V129 HydrophobicContact CD1-CG2 4.26Å; L111-V129 HydrophobicContact CD2-CG1 4.19Å; L111-V129 HydrophobicContact CD2-CG2 4.28Å; L111-V129 HydrophobicContact CG-CG1 4.47Å; F121-V129 HydrophobicContact CE2-CG1 3.65Å; F121-V129 HydrophobicContact CZ-CB 4.15Å; F121-V129 HydrophobicContact CZ-CG1 3.62Å; P122-V129 HydrophobicContact CG-CG2 4.43Å; L125-V129 HydrophobicContact CB-CG2 4.09Å; L125-V129 WeakPolarHBondContact O-CB 3.45Å; L125-V129 WeakPolarHBondContact O-CG2 3.43Å; L125-V129 PolarHBondContact O-N 2.94Å; V129-L133 WeakPolarHBondContact O-CB 3.36Å; V129-L133 PolarHBondContact O-N 3.49Å; V129-L133 VanDerWaalsContact O-N 3.16Å; V129-R134 PolarHBondContact O-N 2.99Å; V129-V135 HydrophobicContact CG1-CB 4.09Å; V129-V135 PolarHBondContact O-N 2.91Å
130	V	93	Very high	93.3	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-75.1	-40.3	-176.9	-175.1	0	0	0	0	110.9	F121 S126 R134 T136 Y265	F121-V130 HydrophobicContact CZ-CG2 4.26Å; S126-V130 WeakPolarHBondContact O-CB 3.06Å; S126-V130 WeakPolarHBondContact O-CG2 3.43Å; S126-V130 PolarHBondContact O-N 3.03Å; V130-R134 VanDerWaalsContact O-CA 3.3Å; V130-R134 WeakPolarHBondContact O-CA 3.22Å; V130-R134 PolarHBondContact O-N 3.49Å; V130-T136 HydrophobicContact CG1-CG2 4.33Å; V130-Y265 HydrophobicContact CB-CD1 3.83Å; V130-Y265 HydrophobicContact CB-CE1 4.14Å; V130-Y265 HydrophobicContact CB-CG 4.33Å; V130-Y265 HydrophobicContact CG1-CD1 3.58Å; V130-Y265 HydrophobicContact CG1-CE1 4.23Å; V130-Y265 HydrophobicContact CG1-CG 4.2Å; V130-Y265 HydrophobicContact CG2-CD1 4.29Å; V130-Y265 HydrophobicContact CG2-CG 4.28Å
131	K	87.4	Confident	93.4	Very high	72 Å²	72	26.3 Å²	26.3	31%	0.313	14%	0.139	S	C	.	.	H	α-helix	trans	-82.3	-44.9	179.4	-62.3	-178.4	170.1	178.4	0	113.3	D127 E216 T217 S219 Y265	D127-K131 WeakPolarHBondContact O-CB 3.37Å; K131-E216 WeakPolarHBondContact CE-OE1 3.01Å; K131-E216 VanDerWaalsContact NZ-CD 3.27Å; K131-E216 IonicContact NZ-OE1 3.71Å; K131-E216 PolarHBondContact NZ-OE1 2.87Å; K131-T217 WeakPolarHBondContact CE-O 3.19Å; K131-S219 WeakPolarHBondContact O-CB 3.29Å; K131-Y265 WeakPolarHBondContact CE-OH 3.39Å; K131-Y265 HydrophobicContact CG-CE1 4.04Å
132	G	86.7	Confident	93.4	Very high	51 Å²	51	29.1 Å²	29.1	53%	0.526	15%	0.15	S	C	.	.	H	α-helix	trans	-78.2	-48.7	-174.7	0	0	0	0	0	112.8	V128	V128-G132 WeakPolarHBondContact O-CA 3.48Å; V128-G132 PolarHBondContact O-N 3.35Å
133	L	90.7	Very high	93.4	Very high	27 Å²	27	32.7 Å²	32.7	14%	0.141	17%	0.166	C	C	.	.	S	Bend	trans	-95.6	-5.9	-177.7	-61.3	177	0	0	0	114	E104 E108 L111 V128 V129 V135	E104-L133 HydrophobicContact CB-CD2 4.47Å; E104-L133 HydrophobicContact CG-CD2 3.35Å; E108-L133 HydrophobicContact CG-CD1 4.45Å; E108-L133 HydrophobicContact CG-CD2 3.77Å; L111-L133 HydrophobicContact CD1-CD1 3.51Å; L111-L133 HydrophobicContact CG-CD1 4.48Å; V128-L133 PolarHBondContact O-N 2.9Å; V129-L133 WeakPolarHBondContact O-CB 3.36Å; V129-L133 PolarHBondContact O-N 3.49Å; V129-L133 VanDerWaalsContact O-N 3.16Å; L133-V135 HydrophobicContact CB-CG2 4.04Å; L133-V135 PolarHBondContact O-N 3.31Å
134	R	92.1	Very high	93.5	Very high	88 Å²	88	31.9 Å²	31.9	33%	0.332	16%	0.163	S	C	.	.			trans	53.6	35.9	-173.5	-169.4	169.6	169.2	115.8	-7	112.1	V129 V130 Q139 S219 L221 D224	V129-R134 PolarHBondContact O-N 2.99Å; V130-R134 VanDerWaalsContact O-CA 3.3Å; V130-R134 WeakPolarHBondContact O-CA 3.22Å; V130-R134 PolarHBondContact O-N 3.49Å; R134-Q139 PolarHBondContact O-OE1 3.44Å; R134-Q139 VanDerWaalsContact O-OE1 3.1Å; R134-S219 PolarHBondContact NH1-O 2.85Å; R134-L221 VanDerWaalsContact NH1-CD1 3.34Å; R134-D224 IonicContact CZ-OD2 3.67Å; R134-D224 VanDerWaalsContact CZ-OD2 3.24Å; R134-D224 IonicContact NH1-OD2 2.7Å; R134-D224 PolarHBondContact NH1-OD2 3.12Å; R134-D224 VanDerWaalsContact NH2-CG 3.28Å; R134-D224 IonicContact NH2-OD1 2.73Å; R134-D224 PolarHBondContact NH2-OD1 3.39Å; R134-D224 IonicContact NH2-OD2 2.75Å; R134-D224 PolarHBondContact NH2-OD2 3.44Å
135	V	93.8	Very high	93.5	Very high	30 Å²	30	28.5 Å²	28.5	18%	0.182	15%	0.147	C	C	.	.			trans	-108.3	114	176.4	179.4	0	0	0	0	109.6	L111 V129 L133	L111-V135 HydrophobicContact CD1-CB 4.44Å; L111-V135 HydrophobicContact CD1-CG1 4.49Å; V129-V135 HydrophobicContact CG1-CB 4.09Å; V129-V135 PolarHBondContact O-N 2.91Å; L133-V135 HydrophobicContact CB-CG2 4.04Å; L133-V135 PolarHBondContact O-N 3.31Å
136	T	95	Very high	93.5	Very high	14 Å²	14	29 Å²	29	9%	0.086	15%	0.15	C	C	.	.			trans	-85.9	157.6	174.7	69.6	0	0	0	0	111.6	V130 F138 Q139 Y140	V130-T136 HydrophobicContact CG1-CG2 4.33Å; T136-F138 PolarHBondContact O-N 3.45Å; T136-Q139 PolarHBondContact O-N 3.27Å; T136-Q139 VanDerWaalsContact OG1-CG 3.31Å; T136-Q139 WeakPolarHBondContact OG1-CG 3.22Å; T136-Q139 PolarHBondContact OG1-N 2.9Å; T136-Y140 PolarHBondContact O-N 2.87Å
137	P	95.7	Very high	93.5	Very high	8 Å²	8	30.5 Å²	30.5	5%	0.052	16%	0.157	C	C	.	.	H	α-helix	trans	-53.1	-42	172.8	-24.6	31.2	0	0	0	112.4	F121 Y123 Q139 Y140 Y141 L169	F121-P137 HydrophobicContact CD1-CB 4.09Å; F121-P137 HydrophobicContact CD1-CG 3.79Å; F121-P137 HydrophobicContact CD2-CB 4.37Å; F121-P137 HydrophobicContact CE1-CB 4.4Å; F121-P137 HydrophobicContact CE1-CG 3.66Å; F121-P137 HydrophobicContact CE2-CG 4.39Å; F121-P137 HydrophobicContact CG-CB 4.07Å; F121-P137 HydrophobicContact CG-CG 4.23Å; F121-P137 HydrophobicContact CZ-CG 3.97Å; Y123-P137 HydrophobicContact CE1-CB 4.26Å; Y123-P137 HydrophobicContact CE1-CG 3.9Å; P137-Q139 PolarHBondContact O-N 3.48Å; P137-Y140 WeakPolarHBondContact O-CB 3.43Å; P137-Y140 PolarHBondContact O-N 3.39Å; P137-Y141 HydrophobicContact CB-CE2 4.33Å; P137-Y141 WeakPolarHBondContact O-CD2 3.19Å; P137-Y141 PolarHBondContact O-N 3.46Å; P137-L169 HydrophobicContact CB-CD1 3.82Å
138	F	96.4	Very high	93.5	Very high	15 Å²	15	28.2 Å²	28.2	7%	0.066	15%	0.145	C	C	.	.	H	α-helix	trans	-58	-47	175.6	173.4	-100.6	0	0	0	112.3	T136 R142 L170 P201 R202 I203 P204	T136-F138 PolarHBondContact O-N 3.45Å; F138-R142 WeakPolarHBondContact O-CB 3.38Å; F138-R142 PolarHBondContact O-N 3.46Å; F138-L170 HydrophobicContact CD2-CD2 3.51Å; F138-L170 HydrophobicContact CE2-CD2 3.38Å; F138-L170 HydrophobicContact CZ-CD2 4.3Å; F138-P201 HydrophobicContact CE2-CB 4.37Å; F138-P201 HydrophobicContact CZ-CB 4.34Å; F138-R202 WeakPolarHBondContact CE1-O 3.29Å; F138-I203 VanDerWaalsContact CE2-C 3.47Å; F138-P204 HydrophobicContact CB-CB 4.32Å; F138-P204 VanDerWaalsContact CD2-CA 3.48Å; F138-P204 HydrophobicContact CD2-CB 3.61Å; F138-P204 HydrophobicContact CD2-CG 4.37Å; F138-P204 VanDerWaalsContact CE2-CA 3.46Å; F138-P204 HydrophobicContact CE2-CB 4.14Å; F138-P204 HydrophobicContact CG-CB 4.02Å; F138-P204 HydrophobicContact CG-CG 4.38Å
139	Q	95.7	Very high	93.5	Very high	70 Å²	70	27.5 Å²	27.5	33%	0.327	14%	0.14	S	C	.	.	H	α-helix	trans	-65.1	-40.6	178	-71.4	167.4	-12.7	0	0	111.8	R134 T136 P137 R142 Q143	R134-Q139 PolarHBondContact O-OE1 3.44Å; R134-Q139 VanDerWaalsContact O-OE1 3.1Å; T136-Q139 PolarHBondContact O-N 3.27Å; T136-Q139 VanDerWaalsContact OG1-CG 3.31Å; T136-Q139 WeakPolarHBondContact OG1-CG 3.22Å; T136-Q139 PolarHBondContact OG1-N 2.9Å; P137-Q139 PolarHBondContact O-N 3.48Å; Q139-R142 PolarHBondContact O-N 2.93Å; Q139-Q143 VanDerWaalsContact O-CG 3.32Å; Q139-Q143 WeakPolarHBondContact O-CG 3.22Å; Q139-Q143 PolarHBondContact O-N 2.94Å
140	Y	97.3	Very high	93.4	Very high	4 Å²	4	30 Å²	30	2%	0.016	15%	0.153	C	C	.	.	H	α-helix	trans	-58.1	-53.2	176.6	173.8	-98.4	0	0	0	111.5	L111 S114 R115 M119 F121 T136 P137 Q143 M144	L111-Y140 HydrophobicContact CD2-CD2 4.41Å; L111-Y140 HydrophobicContact CD2-CE2 4.37Å; S114-Y140 WeakPolarHBondContact CB-OH 3.19Å; S114-Y140 PolarHBondContact O-OH 3.33Å; R115-Y140 WeakPolarHBondContact CA-OH 3.36Å; R115-Y140 HydrophobicContact CB-CE2 3.74Å; R115-Y140 HydrophobicContact CG-CE2 4.22Å; R115-Y140 PolarHBondContact N-OH 2.9Å; M119-Y140 WeakPolarHBondContact O-CE1 3.41Å; M119-Y140 PolarHBondContact O-OH 3.48Å; F121-Y140 HydrophobicContact CB-CD1 3.87Å; F121-Y140 HydrophobicContact CB-CE1 4.07Å; F121-Y140 AromaticContact CD2-CD1 3.89Å; F121-Y140 HydrophobicContact CD2-CD1 3.89Å; F121-Y140 HydrophobicContact CD2-CD2 4.3Å; F121-Y140 AromaticContact CD2-CG 3.74Å; F121-Y140 HydrophobicContact CD2-CG 3.74Å; F121-Y140 HydrophobicContact CG-CD1 4.38Å; T136-Y140 PolarHBondContact O-N 2.87Å; P137-Y140 WeakPolarHBondContact O-CB 3.43Å; P137-Y140 PolarHBondContact O-N 3.39Å; Y140-Q143 PolarHBondContact O-N 3.07Å; Y140-M144 HydrophobicContact CD1-CE 4.39Å; Y140-M144 HydrophobicContact CE1-CE 3.47Å; Y140-M144 VanDerWaalsContact CE1-CE 3.47Å; Y140-M144 PolarHBondContact O-N 3.11Å; Y140-M144 WeakPolarHBondContact OH-CE 3.34Å
141	Y	97.6	Very high	93.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-70.1	-33.6	179.5	-65.1	-58.4	0	0	0	113.2	L120 F121 P137 Q143 M144 M145 T162 D165 C166 L169	L120-Y141 WeakPolarHBondContact CD1-OH 3.42Å; F121-Y141 HydrophobicContact CB-CE1 4.46Å; F121-Y141 HydrophobicContact CB-CE2 3.95Å; F121-Y141 WeakPolarHBondContact CB-OH 3.49Å; F121-Y141 PolarHBondContact N-OH 3.11Å; P137-Y141 HydrophobicContact CB-CE2 4.33Å; P137-Y141 WeakPolarHBondContact O-CD2 3.19Å; P137-Y141 PolarHBondContact O-N 3.46Å; Y141-Q143 VanDerWaalsContact C-N 3.33Å; Y141-Q143 PolarHBondContact O-N 3.32Å; Y141-M144 HydrophobicContact CD1-CE 4.41Å; Y141-M144 HydrophobicContact CD1-SD 4.29Å; Y141-M144 WeakPolarHBondContact O-CB 3.35Å; Y141-M144 PolarHBondContact O-N 3.45Å; Y141-M145 WeakPolarHBondContact O-CB 3.47Å; Y141-M145 WeakPolarHBondContact O-CG 3.48Å; Y141-M145 PolarHBondContact O-N 2.81Å; Y141-T162 HydrophobicContact CD1-CG2 4.45Å; Y141-T162 HydrophobicContact CE1-CG2 3.98Å; Y141-D165 HydrophobicContact CE2-CB 4Å; Y141-D165 WeakPolarHBondContact CE2-OD2 3.18Å; Y141-D165 PolarHBondContact OH-OD2 3.44Å; Y141-C166 VanDerWaalsContact CD1-SG 3.52Å; Y141-L169 HydrophobicContact CD2-CD1 3.6Å; Y141-L169 HydrophobicContact CE2-CD1 3.7Å
142	R	95.8	Very high	93.2	Very high	61 Å²	61	37 Å²	37	23%	0.23	19%	0.187	C	C	.	.	H	α-helix	trans	-60.9	-43.5	173.9	-178.4	178	175.6	-102.5	-6.6	111.3	F138 Q139 M145 E146 L170 R197 L200 P201	F138-R142 WeakPolarHBondContact O-CB 3.38Å; F138-R142 PolarHBondContact O-N 3.46Å; Q139-R142 PolarHBondContact O-N 2.93Å; R142-M145 PolarHBondContact O-N 3.37Å; R142-E146 PolarHBondContact O-N 3.22Å; R142-L170 HydrophobicContact CB-CD2 4.22Å; R142-R197 PolarHBondContact NH2-O 3.19Å; R142-R197 VanDerWaalsContact NH2-O 3.11Å; R142-L200 HydrophobicContact CG-CB 4.4Å; R142-L200 HydrophobicContact CG-CD1 4.39Å; R142-P201 WeakPolarHBondContact CD-O 3.45Å; R142-P201 PolarHBondContact NE-O 2.98Å
143	Q	95.1	Very high	93.4	Very high	74 Å²	74	38.7 Å²	38.7	35%	0.346	18%	0.18	S	C	.	.	H	α-helix	trans	-68.3	-39.7	175.1	-70.6	175.2	14	0	0	111.8	Q139 Y140 Y141 M145 E146 D147	Q139-Q143 VanDerWaalsContact O-CG 3.32Å; Q139-Q143 WeakPolarHBondContact O-CG 3.22Å; Q139-Q143 PolarHBondContact O-N 2.94Å; Y140-Q143 PolarHBondContact O-N 3.07Å; Y141-Q143 VanDerWaalsContact C-N 3.33Å; Y141-Q143 PolarHBondContact O-N 3.32Å; Q143-M145 VanDerWaalsContact C-N 3.32Å; Q143-M145 PolarHBondContact O-N 3.05Å; Q143-E146 WeakPolarHBondContact O-CB 3.34Å; Q143-E146 PolarHBondContact O-N 3.31Å; Q143-D147 PolarHBondContact O-N 3.24Å
144	M	95.6	Very high	93.4	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-58.1	-45.8	174.3	-174.4	-176.1	-72.9	0	0	111.3	R115 L118 M119 Y140 Y141 D147 L148 L158 T162	R115-M144 HydrophobicContact CG-CB 3.9Å; R115-M144 HydrophobicContact CG-CE 4.28Å; R115-M144 HydrophobicContact CG-CG 4.28Å; L118-M144 HydrophobicContact CB-SD 4.43Å; L118-M144 HydrophobicContact CD2-CG 3.69Å; L118-M144 HydrophobicContact CD2-SD 3.92Å; M119-M144 WeakPolarHBondContact O-CE 3.39Å; Y140-M144 HydrophobicContact CD1-CE 4.39Å; Y140-M144 HydrophobicContact CE1-CE 3.47Å; Y140-M144 VanDerWaalsContact CE1-CE 3.47Å; Y140-M144 PolarHBondContact O-N 3.11Å; Y140-M144 WeakPolarHBondContact OH-CE 3.34Å; Y141-M144 HydrophobicContact CD1-CE 4.41Å; Y141-M144 HydrophobicContact CD1-SD 4.29Å; Y141-M144 WeakPolarHBondContact O-CB 3.35Å; Y141-M144 PolarHBondContact O-N 3.45Å; M144-D147 PolarHBondContact O-N 2.89Å; M144-L148 WeakPolarHBondContact O-CB 3.46Å; M144-L148 PolarHBondContact O-N 2.8Å; M144-L158 HydrophobicContact SD-CD2 3.84Å; M144-T162 HydrophobicContact CE-CG2 4.24Å; M144-T162 HydrophobicContact SD-CG2 3.74Å
145	M	94.5	Very high	93.4	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-64.4	-40.3	175.8	-75.4	-64	176.1	0	0	112.3	Y141 R142 Q143 D147 L148 M149 Y155 L158 C166 L170 Y177 L200	Y141-M145 WeakPolarHBondContact O-CB 3.47Å; Y141-M145 WeakPolarHBondContact O-CG 3.48Å; Y141-M145 PolarHBondContact O-N 2.81Å; R142-M145 PolarHBondContact O-N 3.37Å; Q143-M145 VanDerWaalsContact C-N 3.32Å; Q143-M145 PolarHBondContact O-N 3.05Å; M145-D147 VanDerWaalsContact C-N 3.35Å; M145-D147 PolarHBondContact O-N 3.09Å; M145-L148 PolarHBondContact O-N 3.2Å; M145-M149 WeakPolarHBondContact O-CB 3.05Å; M145-M149 VanDerWaalsContact O-CG 3.22Å; M145-M149 WeakPolarHBondContact O-CG 3.26Å; M145-M149 PolarHBondContact O-N 2.68Å; M145-Y155 HydrophobicContact CE-CD2 4.32Å; M145-Y155 HydrophobicContact CE-CE2 3.72Å; M145-L158 HydrophobicContact CE-CD1 3.52Å; M145-L158 HydrophobicContact SD-CD1 4.43Å; M145-C166 HydrophobicContact CE-CB 3.48Å; M145-C166 VanDerWaalsContact CE-CB 3.48Å; M145-C166 VanDerWaalsContact CE-SG 3.56Å; M145-L170 HydrophobicContact CB-CD1 4.32Å; M145-L170 HydrophobicContact CG-CD1 3.54Å; M145-Y177 HydrophobicContact SD-CD2 4.16Å; M145-Y177 HydrophobicContact SD-CE2 4.39Å; M145-L200 HydrophobicContact CB-CD1 4.36Å; M145-L200 HydrophobicContact CB-CD2 4.1Å
146	E	93.2	Very high	93.2	Very high	10 Å²	10	36 Å²	36	5%	0.047	18%	0.176	C	C	.	.	H	α-helix	trans	-57.4	-48.9	173.3	-174.3	-173.8	160	0	0	110.9	R142 Q143 L148 M149 I150 I196 R197 L200	R142-E146 PolarHBondContact O-N 3.22Å; Q143-E146 WeakPolarHBondContact O-CB 3.34Å; Q143-E146 PolarHBondContact O-N 3.31Å; E146-L148 PolarHBondContact O-N 3.37Å; E146-M149 PolarHBondContact O-N 2.77Å; E146-I150 HydrophobicContact CG-CD1 3.73Å; E146-I150 HydrophobicContact CG-CG1 4.47Å; E146-I150 WeakPolarHBondContact O-CB 3.39Å; E146-I150 WeakPolarHBondContact O-CD1 3.3Å; E146-I150 WeakPolarHBondContact O-CG1 3.4Å; E146-I150 PolarHBondContact O-N 3.01Å; E146-I196 HydrophobicContact CB-CG2 4.49Å; E146-I196 HydrophobicContact CG-CG2 4.08Å; E146-R197 VanDerWaalsContact CD-NE 3.27Å; E146-R197 HydrophobicContact CG-CG 4.38Å; E146-R197 IonicContact OE1-CZ 2.72Å; E146-R197 IonicContact OE1-NE 3.35Å; E146-R197 PolarHBondContact OE1-NE 3.31Å; E146-R197 IonicContact OE1-NH2 3.01Å; E146-R197 PolarHBondContact OE1-NH2 3.36Å; E146-R197 VanDerWaalsContact OE1-NH2 3.08Å; E146-R197 WeakPolarHBondContact OE2-CG 3.4Å; E146-R197 IonicContact OE2-CZ 2.83Å; E146-R197 IonicContact OE2-NE 3.78Å; E146-R197 PolarHBondContact OE2-NE 3.4Å; E146-R197 VanDerWaalsContact OE2-NE 3.08Å; E146-R197 IonicContact OE2-NH2 2.91Å; E146-L200 HydrophobicContact CB-CD1 3.88Å
147	D	92.5	Very high	93.1	Very high	41 Å²	41	37.6 Å²	37.6	22%	0.219	19%	0.185	C	C	.	.	H	α-helix	trans	-62.5	-42.8	178.9	-72.2	-25.8	0	0	0	111.6	R115 Q143 M144 M145 I150 Q151	R115-D147 IonicContact CZ-OD2 3.8Å; R115-D147 IonicContact NE-OD2 3.68Å; R115-D147 PolarHBondContact NE-OD2 3.04Å; R115-D147 IonicContact NH2-OD2 3.57Å; R115-D147 PolarHBondContact NH2-OD2 2.85Å; Q143-D147 PolarHBondContact O-N 3.24Å; M144-D147 PolarHBondContact O-N 2.89Å; M145-D147 VanDerWaalsContact C-N 3.35Å; M145-D147 PolarHBondContact O-N 3.09Å; D147-I150 PolarHBondContact O-N 3.16Å; D147-Q151 WeakPolarHBondContact O-CB 3.46Å; D147-Q151 WeakPolarHBondContact O-CG 3.38Å; D147-Q151 PolarHBondContact O-N 2.9Å
148	L	92.2	Very high	92.9	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.016	18%	0.183	C	C	.	.	H	α-helix	trans	-63.5	-43.2	179.4	-154.2	159	0	0	0	111.4	L118 M144 M145 E146 Q151 E152 K153 L158 Y177	L118-L148 HydrophobicContact CD1-CD1 4.46Å; L118-L148 HydrophobicContact CD2-CD1 4.26Å; M144-L148 WeakPolarHBondContact O-CB 3.46Å; M144-L148 PolarHBondContact O-N 2.8Å; M145-L148 PolarHBondContact O-N 3.2Å; E146-L148 PolarHBondContact O-N 3.37Å; L148-Q151 PolarHBondContact O-N 3.4Å; L148-E152 PolarHBondContact O-N 3.11Å; L148-K153 HydrophobicContact CD2-CB 3.67Å; L148-K153 WeakPolarHBondContact CD2-O 3.47Å; L148-K153 HydrophobicContact CG-CB 3.95Å; L148-K153 PolarHBondContact O-N 2.86Å; L148-L158 HydrophobicContact CD1-CD1 4.07Å; L148-L158 HydrophobicContact CD1-CD2 3.62Å; L148-L158 HydrophobicContact CD1-CG 3.68Å; L148-Y177 HydrophobicContact CD2-CE1 4.27Å; L148-Y177 HydrophobicContact CD2-CE2 3.84Å; L148-Y177 VanDerWaalsContact CD2-CZ 3.47Å; L148-Y177 WeakPolarHBondContact CD2-OH 3.34Å
149	M	90.7	Very high	92.7	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.025	18%	0.182	C	C	.	.	H	α-helix	trans	-68.5	-42.1	176.3	-68.8	-179.4	75.9	0	0	112.6	M145 E146 Q151 E152 Y177 L180 M181 C184 I196 L200	M145-M149 WeakPolarHBondContact O-CB 3.05Å; M145-M149 VanDerWaalsContact O-CG 3.22Å; M145-M149 WeakPolarHBondContact O-CG 3.26Å; M145-M149 PolarHBondContact O-N 2.68Å; E146-M149 PolarHBondContact O-N 2.77Å; M149-Q151 VanDerWaalsContact C-N 3.27Å; M149-Q151 PolarHBondContact O-N 3.08Å; M149-E152 PolarHBondContact O-N 2.87Å; M149-E152 VanDerWaalsContact O-N 3.07Å; M149-Y177 HydrophobicContact CG-CD2 4.31Å; M149-Y177 HydrophobicContact CG-CE2 3.42Å; M149-Y177 VanDerWaalsContact CG-CE2 3.42Å; M149-Y177 HydrophobicContact SD-CE2 4.39Å; M149-L180 HydrophobicContact CE-CB 3.93Å; M149-M181 HydrophobicContact CB-SD 3.8Å; M149-M181 HydrophobicContact CE-CG 4.31Å; M149-M181 HydrophobicContact CE-SD 3.84Å; M149-M181 HydrophobicContact CG-SD 3.76Å; M149-C184 HydrophobicContact CE-CB 4.4Å; M149-C184 WeakPolarHBondContact CE-SG 3.5Å; M149-I196 HydrophobicContact CB-CD1 4.27Å; M149-I196 HydrophobicContact CB-CG2 4.07Å; M149-I196 HydrophobicContact CE-CG2 4.32Å; M149-I196 HydrophobicContact SD-CG2 3.89Å; M149-L200 HydrophobicContact SD-CD2 3.98Å; M149-L200 HydrophobicContact SD-CG 4.4Å
150	I	89.7	Confident	92.5	Very high	52 Å²	52	33.6 Å²	33.6	27%	0.267	17%	0.167	S	C	.	.	H	α-helix	trans	-61.3	-39.2	176.7	-72.1	165.7	0	0	0	110.8	E146 D147 E152 K193 I196	E146-I150 HydrophobicContact CG-CD1 3.73Å; E146-I150 HydrophobicContact CG-CG1 4.47Å; E146-I150 WeakPolarHBondContact O-CB 3.39Å; E146-I150 WeakPolarHBondContact O-CD1 3.3Å; E146-I150 WeakPolarHBondContact O-CG1 3.4Å; E146-I150 PolarHBondContact O-N 3.01Å; D147-I150 PolarHBondContact O-N 3.16Å; I150-E152 PolarHBondContact O-N 3.21Å; I150-K193 HydrophobicContact CD1-CB 4.48Å; I150-K193 HydrophobicContact CD1-CD 4Å; I150-K193 HydrophobicContact CD1-CG 3.76Å; I150-K193 HydrophobicContact CG1-CG 4.25Å; I150-I196 HydrophobicContact CG1-CD1 3.67Å
151	Q	89.6	Confident	92.3	Very high	100 Å²	100	33.4 Å²	33.4	47%	0.467	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-2.1	178.3	-65.9	170.5	32.9	0	0	112.9	D147 L148 M149 K153	D147-Q151 WeakPolarHBondContact O-CB 3.46Å; D147-Q151 WeakPolarHBondContact O-CG 3.38Å; D147-Q151 PolarHBondContact O-N 2.9Å; L148-Q151 PolarHBondContact O-N 3.4Å; M149-Q151 VanDerWaalsContact C-N 3.27Å; M149-Q151 PolarHBondContact O-N 3.08Å; Q151-K153 HydrophobicContact CB-CD 4.23Å; Q151-K153 HydrophobicContact CB-CG 4.06Å; Q151-K153 PolarHBondContact O-N 3.21Å
152	E	87.6	Confident	92.2	Very high	122 Å²	122	33.4 Å²	33.4	57%	0.57	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	34.1	-173.8	-56	-160.5	-166.9	0	0	113.9	L148 M149 I150 M181 R185	L148-E152 PolarHBondContact O-N 3.11Å; M149-E152 PolarHBondContact O-N 2.87Å; M149-E152 VanDerWaalsContact O-N 3.07Å; I150-E152 PolarHBondContact O-N 3.21Å; E152-M181 HydrophobicContact CB-CE 4.14Å; E152-M181 HydrophobicContact CG-CE 4.07Å; E152-R185 IonicContact OE2-CZ 3.1Å; E152-R185 IonicContact OE2-NE 2.8Å; E152-R185 IonicContact OE2-NH2 3.45Å; E152-R185 PolarHBondContact OE2-NH2 3.48Å
153	K	90.7	Very high	92.1	Very high	87 Å²	87	30.5 Å²	30.5	38%	0.378	16%	0.155	S	C	.	.			trans	-73.7	154.2	176.8	-75.9	176.9	173.3	170.2	0	110.8	L148 Q151 Y177	L148-K153 HydrophobicContact CD2-CB 3.67Å; L148-K153 WeakPolarHBondContact CD2-O 3.47Å; L148-K153 HydrophobicContact CG-CB 3.95Å; L148-K153 PolarHBondContact O-N 2.86Å; Q151-K153 HydrophobicContact CB-CD 4.23Å; Q151-K153 HydrophobicContact CB-CG 4.06Å; Q151-K153 PolarHBondContact O-N 3.21Å; K153-Y177 PolarHBondContact O-OH 3.5Å
154	S	90.9	Very high	92	Very high	61 Å²	61	27.3 Å²	27.3	43%	0.427	14%	0.142	S	C	.	.			trans	-71.2	144.5	172.3	-176.9	0	0	0	0	110	D156 T157	S154-D156 PolarHBondContact O-N 2.89Å; S154-D156 VanDerWaalsContact O-N 3.1Å; S154-D156 PolarHBondContact OG-N 2.88Å; S154-T157 PolarHBondContact O-N 3.15Å; S154-T157 VanDerWaalsContact O-N 3.17Å; S154-T157 PolarHBondContact O-OG1 3.49Å
155	Y	92.3	Very high	91.9	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.008	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-55	-27.6	170.7	-171.6	-88.3	0	0	0	112	M145 T157 L158 A163 I172 R174 Y177 V285 N287	M145-Y155 HydrophobicContact CE-CD2 4.32Å; M145-Y155 HydrophobicContact CE-CE2 3.72Å; Y155-T157 PolarHBondContact O-N 3.3Å; Y155-T157 VanDerWaalsContact O-N 3.12Å; Y155-L158 HydrophobicContact CD1-CD1 4.46Å; Y155-L158 HydrophobicContact CD2-CD1 3.86Å; Y155-L158 HydrophobicContact CE1-CD1 4.29Å; Y155-L158 HydrophobicContact CE2-CD1 3.7Å; Y155-L158 HydrophobicContact CG-CD1 4.25Å; Y155-L158 WeakPolarHBondContact O-CB 3.5Å; Y155-L158 PolarHBondContact O-N 3.18Å; Y155-A163 HydrophobicContact CE1-CB 4Å; Y155-A163 PolarHBondContact OH-O 3.28Å; Y155-I172 PolarHBondContact OH-O 2.92Å; Y155-R174 HydrophobicContact CD1-CB 3.84Å; Y155-R174 HydrophobicContact CD1-CG 4.3Å; Y155-R174 HydrophobicContact CE1-CB 4.24Å; Y155-R174 HydrophobicContact CG-CB 4.28Å; Y155-Y177 HydrophobicContact CD2-CD1 4.28Å; Y155-Y177 HydrophobicContact CD2-CD2 4.06Å; Y155-Y177 AromaticContact CD2-CG 3.71Å; Y155-Y177 HydrophobicContact CD2-CG 3.71Å; Y155-Y177 HydrophobicContact CG-CD1 4.5Å; Y155-Y177 HydrophobicContact CG-CG 4.35Å; Y155-V285 HydrophobicContact CE1-CG1 3.94Å; Y155-N287 PolarHBondContact O-ND2 3.18Å
156	D	90.2	Very high	91.9	Very high	25 Å²	25	27.2 Å²	27.2	13%	0.134	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-68.2	-12.2	-176.1	-59.5	3.6	0	0	0	113.4	S154 R174 V289	S154-D156 PolarHBondContact O-N 2.89Å; S154-D156 VanDerWaalsContact O-N 3.1Å; S154-D156 PolarHBondContact OG-N 2.88Å; D156-R174 VanDerWaalsContact CG-CZ 3.44Å; D156-R174 IonicContact OD1-CZ 3.49Å; D156-R174 IonicContact OD1-NE 3.71Å; D156-R174 IonicContact OD1-NH1 3.01Å; D156-R174 PolarHBondContact OD1-NH1 3.24Å; D156-R174 IonicContact OD1-NH2 2.88Å; D156-R174 PolarHBondContact OD1-NH2 2.95Å; D156-R174 IonicContact OD2-CZ 3.61Å; D156-R174 IonicContact OD2-NH1 2.56Å; D156-R174 PolarHBondContact OD2-NH1 3.28Å; D156-R174 IonicContact OD2-NH2 3.43Å; D156-R174 PolarHBondContact OD2-NH2 3.38Å; D156-V289 WeakPolarHBondContact O-CG2 3.25Å
157	T	91.4	Very high	92	Very high	47 Å²	47	29.6 Å²	29.6	29%	0.288	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-75	-16.7	173.5	65.9	0	0	0	0	112.3	L118 S154 Y155	L118-T157 WeakPolarHBondContact CD1-O 3.06Å; L118-T157 WeakPolarHBondContact CD1-OG1 3.16Å; S154-T157 PolarHBondContact O-N 3.15Å; S154-T157 VanDerWaalsContact O-N 3.17Å; S154-T157 PolarHBondContact O-OG1 3.49Å; Y155-T157 PolarHBondContact O-N 3.3Å; Y155-T157 VanDerWaalsContact O-N 3.12Å
158	L	92.2	Very high	92	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-69.7	131.4	177	-68.2	170.1	0	0	0	109.7	L118 M144 M145 L148 Y155 T162 A163 N287	L118-L158 HydrophobicContact CB-CD2 4.15Å; L118-L158 HydrophobicContact CD1-CD2 4.16Å; L118-L158 HydrophobicContact CD2-CD2 4.02Å; L118-L158 HydrophobicContact CG-CD2 4.33Å; M144-L158 HydrophobicContact SD-CD2 3.84Å; M145-L158 HydrophobicContact CE-CD1 3.52Å; M145-L158 HydrophobicContact SD-CD1 4.43Å; L148-L158 HydrophobicContact CD1-CD1 4.07Å; L148-L158 HydrophobicContact CD1-CD2 3.62Å; L148-L158 HydrophobicContact CD1-CG 3.68Å; Y155-L158 HydrophobicContact CD1-CD1 4.46Å; Y155-L158 HydrophobicContact CD2-CD1 3.86Å; Y155-L158 HydrophobicContact CE1-CD1 4.29Å; Y155-L158 HydrophobicContact CE2-CD1 3.7Å; Y155-L158 HydrophobicContact CG-CD1 4.25Å; Y155-L158 WeakPolarHBondContact O-CB 3.5Å; Y155-L158 PolarHBondContact O-N 3.18Å; L158-T162 HydrophobicContact CD2-CG2 4.11Å; L158-A163 HydrophobicContact CB-CB 3.97Å; L158-A163 HydrophobicContact CD1-CB 4.5Å; L158-N287 VanDerWaalsContact O-CB 3.24Å; L158-N287 WeakPolarHBondContact O-CB 3.47Å; L158-N287 PolarHBondContact O-ND2 3.21Å
159	P	92.5	Very high	92.1	Very high	6 Å²	6	29.3 Å²	29.3	4%	0.039	15%	0.149	C	C	.	.			trans	-61.4	158.7	168.3	-18.4	31	0	0	0	111.9	L118 F161 T162 A163 E295	L118-P159 HydrophobicContact CB-CG 4.5Å; L118-P159 VanDerWaalsContact O-CD 3.24Å; L118-P159 WeakPolarHBondContact O-CD 3.29Å; L118-P159 WeakPolarHBondContact O-CG 3.34Å; P159-F161 PolarHBondContact O-N 2.82Å; P159-T162 PolarHBondContact O-N 2.76Å; P159-A163 WeakPolarHBondContact O-CB 3.35Å; P159-A163 PolarHBondContact O-N 2.96Å; P159-E295 WeakPolarHBondContact CB-OE2 3.49Å
160	N	91.9	Very high	92.4	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	15%	0.15	C	C	.	.	H	α-helix	trans	-67.7	-43.7	-162.1	-67.4	-24.3	0	0	0	112.6	A163 A164 F284 N287 E295 Y299	N160-A163 PolarHBondContact O-N 3.16Å; N160-A164 WeakPolarHBondContact O-CB 3.45Å; N160-A164 PolarHBondContact O-N 2.85Å; N160-F284 HydrophobicContact CB-CE1 4.16Å; N160-F284 HydrophobicContact CB-CZ 4.08Å; N160-N287 WeakPolarHBondContact OD1-CA 3.42Å; N160-N287 WeakPolarHBondContact OD1-CB 3.48Å; N160-N287 PolarHBondContact OD1-N 3.47Å; N160-N287 PolarHBondContact OD1-O 3.3Å; N160-E295 WeakPolarHBondContact CB-OE1 3.49Å; N160-E295 PolarHBondContact N-OE1 2.68Å; N160-E295 PolarHBondContact N-OE2 3.27Å; N160-Y299 PolarHBondContact ND2-OH 3.25Å
161	F	93	Very high	92.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-72.3	-36	179.1	-61.1	-82.1	0	0	0	112.1	L120 P159 A163 A164 D165 F284 E295 M298 Y299 F302 F332 L335 F337	L120-F161 HydrophobicContact CD1-CB 4.33Å; P159-F161 PolarHBondContact O-N 2.82Å; F161-A163 VanDerWaalsContact C-N 3.32Å; F161-A163 PolarHBondContact O-N 2.83Å; F161-A164 PolarHBondContact O-N 3.46Å; F161-D165 WeakPolarHBondContact O-CB 3.41Å; F161-D165 PolarHBondContact O-N 3.48Å; F161-F284 HydrophobicContact CE1-CE2 4.42Å; F161-E295 HydrophobicContact CD2-CB 4.4Å; F161-E295 HydrophobicContact CD2-CG 3.72Å; F161-E295 HydrophobicContact CE2-CG 3.91Å; F161-M298 HydrophobicContact CB-CE 3.65Å; F161-M298 HydrophobicContact CB-SD 4.29Å; F161-M298 HydrophobicContact CD1-CE 4.24Å; F161-M298 HydrophobicContact CD1-SD 3.97Å; F161-M298 HydrophobicContact CD2-CB 4.35Å; F161-M298 HydrophobicContact CD2-CE 3.38Å; F161-M298 HydrophobicContact CD2-SD 4.05Å; F161-M298 HydrophobicContact CE1-CB 4.49Å; F161-M298 HydrophobicContact CE1-SD 4.28Å; F161-M298 HydrophobicContact CE2-CB 3.77Å; F161-M298 HydrophobicContact CE2-CE 4.02Å; F161-M298 HydrophobicContact CE2-SD 4.34Å; F161-M298 HydrophobicContact CG-CE 3.48Å; F161-M298 VanDerWaalsContact CG-CE 3.48Å; F161-M298 HydrophobicContact CG-SD 3.83Å; F161-M298 HydrophobicContact CZ-CB 3.84Å; F161-M298 HydrophobicContact CZ-SD 4.44Å; F161-Y299 HydrophobicContact CE2-CD2 4.1Å; F161-Y299 HydrophobicContact CE2-CE1 4.5Å; F161-Y299 AromaticContact CE2-CE2 3.74Å; F161-Y299 HydrophobicContact CE2-CE2 3.74Å; F161-Y299 AromaticContact CE2-CZ 3.96Å; F161-F302 HydrophobicContact CE1-CD2 4.28Å; F161-F302 AromaticContact CE1-CE2 3.44Å; F161-F302 HydrophobicContact CE1-CE2 3.44Å; F161-F302 VanDerWaalsContact CE1-CE2 3.44Å; F161-F302 AromaticContact CE1-CZ 3.93Å; F161-F302 HydrophobicContact CE1-CZ 3.93Å; F161-F302 AromaticContact CZ-CD2 3.82Å; F161-F302 HydrophobicContact CZ-CD2 3.82Å; F161-F302 AromaticContact CZ-CE2 3.4Å; F161-F302 HydrophobicContact CZ-CE2 3.4Å; F161-F302 VanDerWaalsContact CZ-CE2 3.4Å; F161-F302 HydrophobicContact CZ-CZ 4.31Å; F161-F332 HydrophobicContact CD1-CE1 4.26Å; F161-F332 HydrophobicContact CE1-CD1 4.13Å; F161-F332 AromaticContact CE1-CE1 3.54Å; F161-F332 HydrophobicContact CE1-CE1 3.54Å; F161-F332 AromaticContact CZ-CE1 3.98Å; F161-F332 HydrophobicContact CZ-CE1 3.98Å; F161-L335 HydrophobicContact CB-CD1 4.35Å; F161-L335 HydrophobicContact CD1-CD1 3.95Å; F161-F337 HydrophobicContact CD1-CD2 4.33Å; F161-F337 HydrophobicContact CD1-CE2 4.09Å; F161-F337 HydrophobicContact CE1-CD2 4.21Å; F161-F337 HydrophobicContact CE1-CE2 4.29Å
162	T	94	Very high	92.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.7	-45.1	171	-55.2	0	0	0	0	110.7	L118 L120 Y141 M144 L158 P159 D165 C166	L118-T162 WeakPolarHBondContact O-CG2 3.47Å; L118-T162 PolarHBondContact O-OG1 3.38Å; L120-T162 PolarHBondContact N-OG1 2.84Å; Y141-T162 HydrophobicContact CD1-CG2 4.45Å; Y141-T162 HydrophobicContact CE1-CG2 3.98Å; M144-T162 HydrophobicContact CE-CG2 4.24Å; M144-T162 HydrophobicContact SD-CG2 3.74Å; L158-T162 HydrophobicContact CD2-CG2 4.11Å; P159-T162 PolarHBondContact O-N 2.76Å; T162-D165 PolarHBondContact O-N 3Å; T162-C166 WeakPolarHBondContact O-CB 3.43Å; T162-C166 PolarHBondContact O-N 3.49Å; T162-C166 PolarHBondContact O-SG 3.4Å
163	A	93.7	Very high	92.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-66.7	-39	179.2	0	0	0	0	0	112.1	Y155 L158 P159 N160 F161 D165 C166 L167 V285	Y155-A163 HydrophobicContact CE1-CB 4Å; Y155-A163 PolarHBondContact OH-O 3.28Å; L158-A163 HydrophobicContact CB-CB 3.97Å; L158-A163 HydrophobicContact CD1-CB 4.5Å; P159-A163 WeakPolarHBondContact O-CB 3.35Å; P159-A163 PolarHBondContact O-N 2.96Å; N160-A163 PolarHBondContact O-N 3.16Å; F161-A163 VanDerWaalsContact C-N 3.32Å; F161-A163 PolarHBondContact O-N 2.83Å; A163-D165 VanDerWaalsContact C-N 3.34Å; A163-C166 PolarHBondContact O-N 3.43Å; A163-L167 PolarHBondContact O-N 2.88Å; A163-V285 HydrophobicContact CB-CB 4.14Å; A163-V285 HydrophobicContact CB-CG1 3.56Å
164	A	92.9	Very high	92.8	Very high	8 Å²	8	18.6 Å²	18.6	7%	0.066	11%	0.105	C	C	.	.	H	α-helix	trans	-61.5	-42.1	173.3	0	0	0	0	0	111.9	N160 F161 L167 R168 L335 F337	N160-A164 WeakPolarHBondContact O-CB 3.45Å; N160-A164 PolarHBondContact O-N 2.85Å; F161-A164 PolarHBondContact O-N 3.46Å; A164-L167 PolarHBondContact O-N 3.31Å; A164-R168 WeakPolarHBondContact O-CB 3.44Å; A164-R168 PolarHBondContact O-N 2.8Å; A164-L335 HydrophobicContact CB-CD1 4.33Å; A164-L335 HydrophobicContact CB-CD2 4.3Å; A164-F337 HydrophobicContact CB-CE2 3.98Å; A164-F337 HydrophobicContact CB-CZ 3.65Å
165	D	94.5	Very high	92.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-72.3	-35.5	179.8	-151.9	13.8	0	0	0	112.5	L120 Y123 Y141 F161 T162 A163 L167 R168 L169 L335	L120-D165 HydrophobicContact CD1-CB 4.04Å; Y123-D165 WeakPolarHBondContact CE2-OD2 3.47Å; Y123-D165 VanDerWaalsContact CZ-OD2 3.27Å; Y123-D165 VanDerWaalsContact OH-CG 3.26Å; Y123-D165 PolarHBondContact OH-OD1 2.66Å; Y123-D165 PolarHBondContact OH-OD2 3.37Å; Y141-D165 HydrophobicContact CE2-CB 4Å; Y141-D165 WeakPolarHBondContact CE2-OD2 3.18Å; Y141-D165 PolarHBondContact OH-OD2 3.44Å; F161-D165 WeakPolarHBondContact O-CB 3.41Å; F161-D165 PolarHBondContact O-N 3.48Å; T162-D165 PolarHBondContact O-N 3Å; A163-D165 VanDerWaalsContact C-N 3.34Å; D165-L167 VanDerWaalsContact C-N 3.33Å; D165-L167 PolarHBondContact O-N 2.98Å; D165-R168 PolarHBondContact O-N 2.84Å; D165-R168 IonicContact OD1-CZ 2.67Å; D165-R168 VanDerWaalsContact OD1-CZ 3.23Å; D165-R168 IonicContact OD1-NE 3.93Å; D165-R168 PolarHBondContact OD1-NE 2.66Å; D165-R168 IonicContact OD1-NH2 3.76Å; D165-R168 PolarHBondContact OD1-NH2 2.79Å; D165-L169 WeakPolarHBondContact O-CB 3.48Å; D165-L169 PolarHBondContact O-N 2.93Å; D165-L335 HydrophobicContact CB-CD2 3.81Å
166	C	95.3	Very high	92.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.1	-42.5	170.6	-71	0	0	0	0	111.8	Y141 M145 T162 A163 L170	Y141-C166 VanDerWaalsContact CD1-SG 3.52Å; M145-C166 HydrophobicContact CE-CB 3.48Å; M145-C166 VanDerWaalsContact CE-CB 3.48Å; M145-C166 VanDerWaalsContact CE-SG 3.56Å; T162-C166 WeakPolarHBondContact O-CB 3.43Å; T162-C166 PolarHBondContact O-N 3.49Å; T162-C166 PolarHBondContact O-SG 3.4Å; A163-C166 PolarHBondContact O-N 3.43Å; C166-L170 WeakPolarHBondContact O-CA 3.44Å; C166-L170 WeakPolarHBondContact O-CB 3.26Å; C166-L170 PolarHBondContact O-N 3.01Å
167	L	94.1	Very high	93.1	Very high	60 Å²	60	20.3 Å²	20.3	31%	0.314	11%	0.107	S	C	.	.	H	α-helix	trans	-62.6	-45	174.4	177.1	62.5	0	0	0	110.9	A163 A164 D165 G171 V285	A163-L167 PolarHBondContact O-N 2.88Å; A164-L167 PolarHBondContact O-N 3.31Å; D165-L167 VanDerWaalsContact C-N 3.33Å; D165-L167 PolarHBondContact O-N 2.98Å; L167-G171 WeakPolarHBondContact O-CA 3.2Å; L167-G171 PolarHBondContact O-N 3.31Å; L167-V285 HydrophobicContact CB-CG2 4.3Å; L167-V285 HydrophobicContact CD2-CG2 3.63Å
168	R	92.8	Very high	93	Very high	37 Å²	37	21.5 Å²	21.5	14%	0.14	11%	0.111	C	C	.	.	H	α-helix	trans	-61.9	-46.8	179.9	-173.6	-176.8	69.5	105.3	-5.5	113	Y123 A164 D165 Q334	Y123-R168 PolarHBondContact OH-NH2 2.76Å; A164-R168 WeakPolarHBondContact O-CB 3.44Å; A164-R168 PolarHBondContact O-N 2.8Å; D165-R168 PolarHBondContact O-N 2.84Å; D165-R168 IonicContact OD1-CZ 2.67Å; D165-R168 VanDerWaalsContact OD1-CZ 3.23Å; D165-R168 IonicContact OD1-NE 3.93Å; D165-R168 PolarHBondContact OD1-NE 2.66Å; D165-R168 IonicContact OD1-NH2 3.76Å; D165-R168 PolarHBondContact OD1-NH2 2.79Å; R168-Q334 VanDerWaalsContact CD-O 3.29Å; R168-Q334 WeakPolarHBondContact CD-O 3.17Å
169	L	94.9	Very high	93	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-90.7	-35.8	-172.1	-67.3	175.1	0	0	0	113.6	P137 Y141 D165 P204 V205 F207 Y259	P137-L169 HydrophobicContact CB-CD1 3.82Å; Y141-L169 HydrophobicContact CD2-CD1 3.6Å; Y141-L169 HydrophobicContact CE2-CD1 3.7Å; D165-L169 WeakPolarHBondContact O-CB 3.48Å; D165-L169 PolarHBondContact O-N 2.93Å; L169-P204 WeakPolarHBondContact O-CA 3.42Å; L169-V205 PolarHBondContact O-N 2.98Å; L169-F207 HydrophobicContact CD2-CD1 4.29Å; L169-F207 HydrophobicContact CD2-CE1 3.69Å; L169-F207 HydrophobicContact CD2-CZ 4.47Å; L169-Y259 VanDerWaalsContact CD2-OH 3.26Å; L169-Y259 WeakPolarHBondContact CD2-OH 3.24Å
170	L	95.7	Very high	92.9	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.026	14%	0.139	C	C	.	.	H	α-helix	trans	-101.7	-18.1	-177.3	-50.2	179.2	0	0	0	112.8	F138 R142 M145 C166 I172 P201	F138-L170 HydrophobicContact CD2-CD2 3.51Å; F138-L170 HydrophobicContact CE2-CD2 3.38Å; F138-L170 HydrophobicContact CZ-CD2 4.3Å; R142-L170 HydrophobicContact CB-CD2 4.22Å; M145-L170 HydrophobicContact CB-CD1 4.32Å; M145-L170 HydrophobicContact CG-CD1 3.54Å; C166-L170 WeakPolarHBondContact O-CA 3.44Å; C166-L170 WeakPolarHBondContact O-CB 3.26Å; C166-L170 PolarHBondContact O-N 3.01Å; L170-I172 HydrophobicContact CB-CB 4.24Å; L170-I172 HydrophobicContact CB-CD1 3.95Å; L170-I172 HydrophobicContact CB-CG1 3.89Å; L170-I172 HydrophobicContact CD1-CD1 4.29Å; L170-I172 PolarHBondContact O-N 3.24Å; L170-P201 WeakPolarHBondContact O-CG 3.36Å
171	G	92.5	Very high	92.6	Very high	28 Å²	28	27.5 Å²	27.5	29%	0.289	14%	0.142	S	C	.	.			trans	69.8	15.9	-170.5	0	0	0	0	0	113.2	L167	L167-G171 WeakPolarHBondContact O-CA 3.2Å; L167-G171 PolarHBondContact O-N 3.31Å
172	I	93.3	Very high	92.4	Very high	6 Å²	6	31.5 Å²	31.5	3%	0.031	16%	0.163	C	C	.	.			trans	-103.6	98.7	-176.6	-58.1	174.8	0	0	0	108.7	Y155 L170 Q176 L180 L200 P201	Y155-I172 PolarHBondContact OH-O 2.92Å; L170-I172 HydrophobicContact CB-CB 4.24Å; L170-I172 HydrophobicContact CB-CD1 3.95Å; L170-I172 HydrophobicContact CB-CG1 3.89Å; L170-I172 HydrophobicContact CD1-CD1 4.29Å; L170-I172 PolarHBondContact O-N 3.24Å; I172-Q176 HydrophobicContact CG2-CB 4.31Å; I172-L180 HydrophobicContact CD1-CD1 3.75Å; I172-L180 HydrophobicContact CG1-CD1 4.06Å; I172-L180 HydrophobicContact CG2-CD1 4.21Å; I172-L200 HydrophobicContact CD1-CD2 3.65Å; I172-P201 HydrophobicContact CD1-CG 4.3Å
173	G	91.4	Very high	92	Very high	6 Å²	6	36 Å²	36	6%	0.062	18%	0.184	C	C	.	.			trans	-88.9	-176.7	163.1	0	0	0	0	0	111.8	N175 Q176 Y177	G173-N175 PolarHBondContact O-N 2.87Å; G173-Q176 VanDerWaalsContact CA-OE1 3.28Å; G173-Q176 PolarHBondContact O-N 3.22Å; G173-Q176 PolarHBondContact O-OE1 3.06Å; G173-Y177 WeakPolarHBondContact O-CB 3.35Å; G173-Y177 PolarHBondContact O-N 3.37Å
174	R	89.7	Confident	91.5	Very high	96 Å²	96	37 Å²	37	36%	0.362	19%	0.191	S	C	.	.	H	α-helix	trans	-53	-48.9	-179.7	-177	-173.1	-178.5	122.4	10.1	113.2	Y155 D156 Y177 I178	Y155-R174 HydrophobicContact CD1-CB 3.84Å; Y155-R174 HydrophobicContact CD1-CG 4.3Å; Y155-R174 HydrophobicContact CE1-CB 4.24Å; Y155-R174 HydrophobicContact CG-CB 4.28Å; D156-R174 VanDerWaalsContact CG-CZ 3.44Å; D156-R174 IonicContact OD1-CZ 3.49Å; D156-R174 IonicContact OD1-NE 3.71Å; D156-R174 IonicContact OD1-NH1 3.01Å; D156-R174 PolarHBondContact OD1-NH1 3.24Å; D156-R174 IonicContact OD1-NH2 2.88Å; D156-R174 PolarHBondContact OD1-NH2 2.95Å; D156-R174 IonicContact OD2-CZ 3.61Å; D156-R174 IonicContact OD2-NH1 2.56Å; D156-R174 PolarHBondContact OD2-NH1 3.28Å; D156-R174 IonicContact OD2-NH2 3.43Å; D156-R174 PolarHBondContact OD2-NH2 3.38Å; R174-Y177 WeakPolarHBondContact O-CB 3.25Å; R174-Y177 PolarHBondContact O-N 3.26Å; R174-I178 HydrophobicContact CG-CD1 4.07Å; R174-I178 VanDerWaalsContact O-CG1 3.32Å; R174-I178 WeakPolarHBondContact O-CG1 3.28Å; R174-I178 PolarHBondContact O-N 3.38Å
175	N	91.4	Very high	90.9	Very high	53 Å²	53	44 Å²	44	28%	0.283	22%	0.216	S	C	.	.	H	α-helix	trans	-68.2	-40.3	-177.2	-69.3	-20.8	0	0	0	111.4	G173 Y177 I178 N179	G173-N175 PolarHBondContact O-N 2.87Å; N175-Y177 VanDerWaalsContact C-N 3.34Å; N175-I178 PolarHBondContact O-N 2.92Å; N175-N179 VanDerWaalsContact O-CG 3.28Å; N175-N179 PolarHBondContact O-N 2.98Å; N175-N179 PolarHBondContact O-ND2 2.89Å
176	Q	93.2	Very high	90	Very high	62 Å²	62	48.3 Å²	48.3	29%	0.29	25%	0.246	S	C	.	.	H	α-helix	trans	-62.8	-42.6	174.1	-66.8	76.2	13.7	0	0	110.8	I172 G173 N179 L180	I172-Q176 HydrophobicContact CG2-CB 4.31Å; G173-Q176 VanDerWaalsContact CA-OE1 3.28Å; G173-Q176 PolarHBondContact O-N 3.22Å; G173-Q176 PolarHBondContact O-OE1 3.06Å; Q176-N179 PolarHBondContact O-N 2.9Å; Q176-L180 WeakPolarHBondContact O-CG 3.33Å; Q176-L180 PolarHBondContact O-N 3.48Å
177	Y	93.8	Very high	88.8	Confident	9 Å²	9	52.1 Å²	52.1	4%	0.035	27%	0.266	C	S	.	.	H	α-helix	trans	-60.4	-47.1	175.9	179.1	-92.6	0	0	0	112.3	M145 L148 M149 K153 Y155 G173 R174 N175 N179 L180 M181	M145-Y177 HydrophobicContact SD-CD2 4.16Å; M145-Y177 HydrophobicContact SD-CE2 4.39Å; L148-Y177 HydrophobicContact CD2-CE1 4.27Å; L148-Y177 HydrophobicContact CD2-CE2 3.84Å; L148-Y177 VanDerWaalsContact CD2-CZ 3.47Å; L148-Y177 WeakPolarHBondContact CD2-OH 3.34Å; M149-Y177 HydrophobicContact CG-CD2 4.31Å; M149-Y177 HydrophobicContact CG-CE2 3.42Å; M149-Y177 VanDerWaalsContact CG-CE2 3.42Å; M149-Y177 HydrophobicContact SD-CE2 4.39Å; K153-Y177 PolarHBondContact O-OH 3.5Å; Y155-Y177 HydrophobicContact CD2-CD1 4.28Å; Y155-Y177 HydrophobicContact CD2-CD2 4.06Å; Y155-Y177 AromaticContact CD2-CG 3.71Å; Y155-Y177 HydrophobicContact CD2-CG 3.71Å; Y155-Y177 HydrophobicContact CG-CD1 4.5Å; Y155-Y177 HydrophobicContact CG-CG 4.35Å; G173-Y177 WeakPolarHBondContact O-CB 3.35Å; G173-Y177 PolarHBondContact O-N 3.37Å; R174-Y177 WeakPolarHBondContact O-CB 3.25Å; R174-Y177 PolarHBondContact O-N 3.26Å; N175-Y177 VanDerWaalsContact C-N 3.34Å; Y177-N179 VanDerWaalsContact C-N 3.28Å; Y177-N179 PolarHBondContact O-N 2.84Å; Y177-L180 PolarHBondContact O-N 3.17Å; Y177-M181 HydrophobicContact CD1-CG 4.06Å; Y177-M181 HydrophobicContact CE1-CG 3.52Å; Y177-M181 HydrophobicContact CE1-SD 4.5Å; Y177-M181 HydrophobicContact CE2-CG 4.21Å; Y177-M181 WeakPolarHBondContact O-CB 3.37Å; Y177-M181 WeakPolarHBondContact O-CG 3.23Å; Y177-M181 PolarHBondContact O-N 2.74Å
178	I	90.5	Very high	87.3	Confident	72 Å²	72	58.9 Å²	58.9	37%	0.369	29%	0.293	S	S	.	.	H	α-helix	trans	-59	-42.7	176.8	-68.1	165.4	0	0	0	110.6	R174 N175 M181 N182	R174-I178 HydrophobicContact CG-CD1 4.07Å; R174-I178 VanDerWaalsContact O-CG1 3.32Å; R174-I178 WeakPolarHBondContact O-CG1 3.28Å; R174-I178 PolarHBondContact O-N 3.38Å; N175-I178 PolarHBondContact O-N 2.92Å; I178-M181 PolarHBondContact O-N 2.9Å; I178-N182 WeakPolarHBondContact O-CB 2.72Å; I178-N182 VanDerWaalsContact O-CG 3.24Å; I178-N182 PolarHBondContact O-N 2.54Å; I178-N182 PolarHBondContact O-ND2 2.61Å
179	N	92.2	Very high	85.6	Confident	94 Å²	94	66.7 Å²	66.7	50%	0.503	33%	0.328	S	S	.	.	H	α-helix	trans	-63.7	-44.3	177.1	-71.4	-21.9	0	0	0	112.2	N175 Q176 Y177 N182 Q183	N175-N179 VanDerWaalsContact O-CG 3.28Å; N175-N179 PolarHBondContact O-N 2.98Å; N175-N179 PolarHBondContact O-ND2 2.89Å; Q176-N179 PolarHBondContact O-N 2.9Å; Y177-N179 VanDerWaalsContact C-N 3.28Å; Y177-N179 PolarHBondContact O-N 2.84Å; N179-N182 PolarHBondContact O-N 2.87Å; N179-Q183 WeakPolarHBondContact O-CG 3.47Å; N179-Q183 PolarHBondContact O-N 2.86Å
180	L	89.8	Confident	83.7	Confident	25 Å²	25	72.6 Å²	72.6	13%	0.131	37%	0.369	C	S	.	.	H	α-helix	trans	-61.5	-43.4	175.4	-71.6	170.8	0	0	0	111.5	M149 I172 Q176 Y177 N182 Q183 C184 L199	M149-L180 HydrophobicContact CE-CB 3.93Å; I172-L180 HydrophobicContact CD1-CD1 3.75Å; I172-L180 HydrophobicContact CG1-CD1 4.06Å; I172-L180 HydrophobicContact CG2-CD1 4.21Å; Q176-L180 WeakPolarHBondContact O-CG 3.33Å; Q176-L180 PolarHBondContact O-N 3.48Å; Y177-L180 PolarHBondContact O-N 3.17Å; L180-N182 VanDerWaalsContact C-N 3.34Å; L180-N182 PolarHBondContact O-N 2.92Å; L180-Q183 WeakPolarHBondContact O-CB 3.16Å; L180-Q183 PolarHBondContact O-N 3.22Å; L180-C184 PolarHBondContact O-N 3.05Å; L180-C184 PolarHBondContact O-SG 3.03Å; L180-C184 VanDerWaalsContact O-SG 3.34Å; L180-L199 HydrophobicContact CD2-CB 4.36Å
181	M	86.7	Confident	81.9	Confident	16 Å²	16	75.7 Å²	75.7	8%	0.079	39%	0.391	C	S	.	.	H	α-helix	trans	-61.5	-40.7	175.5	-78.8	-63.3	-70.8	0	0	112.5	M149 E152 Y177 I178 C184 R185	M149-M181 HydrophobicContact CB-SD 3.8Å; M149-M181 HydrophobicContact CE-CG 4.31Å; M149-M181 HydrophobicContact CE-SD 3.84Å; M149-M181 HydrophobicContact CG-SD 3.76Å; E152-M181 HydrophobicContact CB-CE 4.14Å; E152-M181 HydrophobicContact CG-CE 4.07Å; Y177-M181 HydrophobicContact CD1-CG 4.06Å; Y177-M181 HydrophobicContact CE1-CG 3.52Å; Y177-M181 HydrophobicContact CE1-SD 4.5Å; Y177-M181 HydrophobicContact CE2-CG 4.21Å; Y177-M181 WeakPolarHBondContact O-CB 3.37Å; Y177-M181 WeakPolarHBondContact O-CG 3.23Å; Y177-M181 PolarHBondContact O-N 2.74Å; I178-M181 PolarHBondContact O-N 2.9Å; M181-C184 PolarHBondContact O-N 3.21Å; M181-R185 WeakPolarHBondContact O-CG 3.48Å; M181-R185 PolarHBondContact O-N 2.94Å
182	N	87.8	Confident	80.8	Confident	84 Å²	84	77.5 Å²	77.5	45%	0.449	40%	0.4	S	S	.	.	H	α-helix	trans	-64.6	-40	174.9	-71.2	-26.4	0	0	0	111.7	I178 N179 L180 R185 S186	I178-N182 WeakPolarHBondContact O-CB 2.72Å; I178-N182 VanDerWaalsContact O-CG 3.24Å; I178-N182 PolarHBondContact O-N 2.54Å; I178-N182 PolarHBondContact O-ND2 2.61Å; N179-N182 PolarHBondContact O-N 2.87Å; L180-N182 VanDerWaalsContact C-N 3.34Å; L180-N182 PolarHBondContact O-N 2.92Å; N182-R185 PolarHBondContact O-N 2.85Å; N182-S186 PolarHBondContact O-N 2.84Å; N182-S186 VanDerWaalsContact O-N 3.16Å
183	Q	86.6	Confident	79.9	Confident	95 Å²	95	83 Å²	83	44%	0.444	42%	0.423	S	S	.	.	H	α-helix	trans	-64.5	-45.4	173.5	-69.7	174.2	7.4	0	0	111.6	N179 L180 R185 S186 L187 L199	N179-Q183 WeakPolarHBondContact O-CG 3.47Å; N179-Q183 PolarHBondContact O-N 2.86Å; L180-Q183 WeakPolarHBondContact O-CB 3.16Å; L180-Q183 PolarHBondContact O-N 3.22Å; Q183-R185 VanDerWaalsContact C-N 3.31Å; Q183-R185 PolarHBondContact O-N 2.92Å; Q183-S186 WeakPolarHBondContact O-CB 3.33Å; Q183-S186 PolarHBondContact O-N 2.88Å; Q183-S186 VanDerWaalsContact O-N 3.07Å; Q183-S186 PolarHBondContact O-OG 3.5Å; Q183-L187 WeakPolarHBondContact O-CG 3.2Å; Q183-L187 PolarHBondContact O-N 3.01Å; Q183-L187 VanDerWaalsContact O-N 3.14Å; Q183-L199 HydrophobicContact CB-CD1 4.38Å
184	C	82	Confident	79.3	Confident	22 Å²	22	89.4 Å²	89.4	15%	0.149	45%	0.449	C	S	.	.	H	α-helix	trans	-56.4	-43.4	175.1	-73.9	0	0	0	0	112.5	M149 L180 M181 S186 L187 L199	M149-C184 HydrophobicContact CE-CB 4.4Å; M149-C184 WeakPolarHBondContact CE-SG 3.5Å; L180-C184 PolarHBondContact O-N 3.05Å; L180-C184 PolarHBondContact O-SG 3.03Å; L180-C184 VanDerWaalsContact O-SG 3.34Å; M181-C184 PolarHBondContact O-N 3.21Å; C184-S186 VanDerWaalsContact C-N 3.27Å; C184-S186 PolarHBondContact O-N 3.25Å; C184-L187 PolarHBondContact O-N 3Å; C184-L199 HydrophobicContact CB-CD1 4.33Å; C184-L199 WeakPolarHBondContact SG-CD1 3.47Å
185	R	80.5	Confident	78.8	Confident	153 Å²	153	86.1 Å²	86.1	58%	0.577	44%	0.443	S	S	*	.	H	α-helix	trans	-67	-28.3	178.1	-73.5	173.4	173.3	171.7	-1.4	112.8	E152 M181 N182 Q183	E152-R185 IonicContact OE2-CZ 3.1Å; E152-R185 IonicContact OE2-NE 2.8Å; E152-R185 IonicContact OE2-NH2 3.45Å; E152-R185 PolarHBondContact OE2-NH2 3.48Å; M181-R185 WeakPolarHBondContact O-CG 3.48Å; M181-R185 PolarHBondContact O-N 2.94Å; N182-R185 PolarHBondContact O-N 2.85Å; Q183-R185 VanDerWaalsContact C-N 3.31Å; Q183-R185 PolarHBondContact O-N 2.92Å
186	S	75.5	Confident	78.4	Confident	91 Å²	91	84 Å²	84	64%	0.636	43%	0.431	S	S	*	.	H	α-helix	trans	-74.5	-28.3	175.3	80.6	0	0	0	0	113	N182 Q183 C184 K188	N182-S186 PolarHBondContact O-N 2.84Å; N182-S186 VanDerWaalsContact O-N 3.16Å; Q183-S186 WeakPolarHBondContact O-CB 3.33Å; Q183-S186 PolarHBondContact O-N 2.88Å; Q183-S186 VanDerWaalsContact O-N 3.07Å; Q183-S186 PolarHBondContact O-OG 3.5Å; C184-S186 VanDerWaalsContact C-N 3.27Å; C184-S186 PolarHBondContact O-N 3.25Å; S186-K188 PolarHBondContact O-N 3.36Å
187	L	71.1	Confident	78	Confident	81 Å²	81	87 Å²	87	42%	0.424	44%	0.44	S	S	.	.	S	Bend	trans	-77.8	117.3	175.9	-64.6	170	0	0	0	109.3	Q183 C184 K189 A195 L199	Q183-L187 WeakPolarHBondContact O-CG 3.2Å; Q183-L187 PolarHBondContact O-N 3.01Å; Q183-L187 VanDerWaalsContact O-N 3.14Å; C184-L187 PolarHBondContact O-N 3Å; L187-K189 PolarHBondContact O-N 3.1Å; L187-A195 HydrophobicContact CD1-CB 4.18Å; L187-L199 HydrophobicContact CD1-CD1 3.74Å; L187-L199 HydrophobicContact CD1-CD2 4.46Å; L187-L199 HydrophobicContact CD1-CG 4.27Å
188	K	61.7	Low	77.6	Confident	202 Å²	202	90.8 Å²	90.8	88%	0.878	46%	0.461	S	S	*	.			trans	-49.2	135.7	-176.5	-66.9	179.1	178.2	177	0	112.5	S186 S190	S186-K188 PolarHBondContact O-N 3.36Å; K188-S190 PolarHBondContact O-N 2.88Å
189	K	57.5	Low	77.5	Confident	201 Å²	201	89.6 Å²	89.6	87%	0.874	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-53.2	-5	-167.4	-74	-175.3	172.8	-177.3	0	119.6	L187 S191	L187-K189 PolarHBondContact O-N 3.1Å; K189-S191 VanDerWaalsContact C-N 3.29Å; K189-S191 PolarHBondContact O-N 3.15Å; K189-S191 VanDerWaalsContact O-N 3.15Å
190	S	54.6	Low	77.5	Confident	124 Å²	124	85.3 Å²	85.3	87%	0.867	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-75.3	-6.5	-163.8	-163.9	0	0	0	0	116	K188	K188-S190 PolarHBondContact O-N 2.88Å
191	S	59.2	Low	77.5	Confident	69 Å²	69	86 Å²	86	48%	0.483	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-161.1	70.6	164	-166.9	0	0	0	0	110.6	K189 K193 K194 A195	K189-S191 VanDerWaalsContact C-N 3.29Å; K189-S191 PolarHBondContact O-N 3.15Å; K189-S191 VanDerWaalsContact O-N 3.15Å; S191-K193 PolarHBondContact O-N 3.14Å; S191-K194 PolarHBondContact O-N 2.89Å; S191-K194 VanDerWaalsContact O-N 3.15Å; S191-A195 PolarHBondContact O-N 3.01Å; S191-A195 VanDerWaalsContact O-N 3.12Å
192	S	68.5	Low	77.7	Confident	67 Å²	67	93.7 Å²	93.7	47%	0.469	47%	0.466	S	S	.	.	H	α-helix	trans	-51.3	-42.7	-176.4	56.6	0	0	0	0	112.5	K194 A195 I196	S192-K194 PolarHBondContact O-N 3.04Å; S192-A195 PolarHBondContact O-N 3.38Å; S192-I196 WeakPolarHBondContact O-CB 3.02Å; S192-I196 WeakPolarHBondContact O-CD1 3.41Å; S192-I196 WeakPolarHBondContact O-CG1 3.47Å; S192-I196 PolarHBondContact O-N 3.39Å
193	K	74.3	Confident	77.9	Confident	121 Å²	121	94.7 Å²	94.7	53%	0.526	47%	0.47	S	S	.	.	H	α-helix	trans	-59.1	-47.1	179.7	-61.5	-161.9	178.6	-170	0	113.1	I150 S191 I196 R197	I150-K193 HydrophobicContact CD1-CB 4.48Å; I150-K193 HydrophobicContact CD1-CD 4Å; I150-K193 HydrophobicContact CD1-CG 3.76Å; I150-K193 HydrophobicContact CG1-CG 4.25Å; S191-K193 PolarHBondContact O-N 3.14Å; K193-I196 PolarHBondContact O-N 3Å; K193-R197 WeakPolarHBondContact O-CG 3.48Å; K193-R197 PolarHBondContact O-N 3.26Å
194	K	79.3	Confident	78.2	Confident	140 Å²	140	90.9 Å²	90.9	61%	0.609	45%	0.454	S	S	*	.	H	α-helix	trans	-66.6	-42.9	180	-171.6	176.2	179.1	179.2	0	110.9	S191 S192 I196 R197 D198	S191-K194 PolarHBondContact O-N 2.89Å; S191-K194 VanDerWaalsContact O-N 3.15Å; S192-K194 PolarHBondContact O-N 3.04Å; K194-I196 PolarHBondContact O-N 2.86Å; K194-R197 PolarHBondContact O-N 3.33Å; K194-D198 PolarHBondContact O-N 2.72Å
195	A	78.9	Confident	78.6	Confident	28 Å²	28	92.8 Å²	92.8	23%	0.231	47%	0.465	C	S	.	.	H	α-helix	trans	-61.2	-42.2	176.6	0	0	0	0	0	112.4	L187 S191 S192 D198 L199	L187-A195 HydrophobicContact CD1-CB 4.18Å; S191-A195 PolarHBondContact O-N 3.01Å; S191-A195 VanDerWaalsContact O-N 3.12Å; S192-A195 PolarHBondContact O-N 3.38Å; A195-D198 PolarHBondContact O-N 3.24Å; A195-L199 WeakPolarHBondContact O-CG 3.14Å; A195-L199 PolarHBondContact O-N 3.28Å; A195-L199 VanDerWaalsContact O-N 3.11Å
196	I	83	Confident	79	Confident	7 Å²	7	95.2 Å²	95.2	4%	0.036	47%	0.474	C	S	.	.	H	α-helix	trans	-63.4	-45.8	176.1	-68	161.7	0	0	0	110.5	E146 M149 I150 S192 K193 K194 D198 L199 L200	E146-I196 HydrophobicContact CB-CG2 4.49Å; E146-I196 HydrophobicContact CG-CG2 4.08Å; M149-I196 HydrophobicContact CB-CD1 4.27Å; M149-I196 HydrophobicContact CB-CG2 4.07Å; M149-I196 HydrophobicContact CE-CG2 4.32Å; M149-I196 HydrophobicContact SD-CG2 3.89Å; I150-I196 HydrophobicContact CG1-CD1 3.67Å; S192-I196 WeakPolarHBondContact O-CB 3.02Å; S192-I196 WeakPolarHBondContact O-CD1 3.41Å; S192-I196 WeakPolarHBondContact O-CG1 3.47Å; S192-I196 PolarHBondContact O-N 3.39Å; K193-I196 PolarHBondContact O-N 3Å; K194-I196 PolarHBondContact O-N 2.86Å; I196-D198 PolarHBondContact O-N 3.29Å; I196-L199 PolarHBondContact O-N 2.88Å; I196-L199 VanDerWaalsContact O-N 3.09Å; I196-L200 HydrophobicContact CG2-CD1 4.06Å; I196-L200 HydrophobicContact CG2-CG 4.43Å; I196-L200 WeakPolarHBondContact O-CG 3.2Å; I196-L200 PolarHBondContact O-N 3.36Å
197	R	84.7	Confident	79.6	Confident	127 Å²	127	92.3 Å²	92.3	48%	0.479	45%	0.45	S	S	.	.	H	α-helix	trans	-59.3	-33.1	177.7	-77.2	179	-179.1	-165.5	-2.7	113.8	R142 E146 K193 K194	R142-R197 PolarHBondContact NH2-O 3.19Å; R142-R197 VanDerWaalsContact NH2-O 3.11Å; E146-R197 VanDerWaalsContact CD-NE 3.27Å; E146-R197 HydrophobicContact CG-CG 4.38Å; E146-R197 IonicContact OE1-CZ 2.72Å; E146-R197 IonicContact OE1-NE 3.35Å; E146-R197 PolarHBondContact OE1-NE 3.31Å; E146-R197 IonicContact OE1-NH2 3.01Å; E146-R197 PolarHBondContact OE1-NH2 3.36Å; E146-R197 VanDerWaalsContact OE1-NH2 3.08Å; E146-R197 WeakPolarHBondContact OE2-CG 3.4Å; E146-R197 IonicContact OE2-CZ 2.83Å; E146-R197 IonicContact OE2-NE 3.78Å; E146-R197 PolarHBondContact OE2-NE 3.4Å; E146-R197 VanDerWaalsContact OE2-NE 3.08Å; E146-R197 IonicContact OE2-NH2 2.91Å; K193-R197 WeakPolarHBondContact O-CG 3.48Å; K193-R197 PolarHBondContact O-N 3.26Å; K194-R197 PolarHBondContact O-N 3.33Å
198	D	85.9	Confident	80.4	Confident	88 Å²	88	95.2 Å²	95.2	47%	0.471	47%	0.466	S	S	.	.	H	α-helix	trans	-79.6	-25.6	178.2	-75.2	-34.1	0	0	0	112.7	K194 A195 I196 R202	K194-D198 PolarHBondContact O-N 2.72Å; A195-D198 PolarHBondContact O-N 3.24Å; I196-D198 PolarHBondContact O-N 3.29Å; D198-R202 IonicContact OD1-NH2 3.24Å; D198-R202 PolarHBondContact OD1-NH2 3.17Å
199	L	87.4	Confident	81.8	Confident	47 Å²	47	86.1 Å²	86.1	25%	0.246	43%	0.427	C	S	.	.	H	α-helix	trans	-80.7	-30.1	175.1	-74	170.2	0	0	0	113.2	L180 Q183 C184 L187 A195 I196	L180-L199 HydrophobicContact CD2-CB 4.36Å; Q183-L199 HydrophobicContact CB-CD1 4.38Å; C184-L199 HydrophobicContact CB-CD1 4.33Å; C184-L199 WeakPolarHBondContact SG-CD1 3.47Å; L187-L199 HydrophobicContact CD1-CD1 3.74Å; L187-L199 HydrophobicContact CD1-CD2 4.46Å; L187-L199 HydrophobicContact CD1-CG 4.27Å; A195-L199 WeakPolarHBondContact O-CG 3.14Å; A195-L199 PolarHBondContact O-N 3.28Å; A195-L199 VanDerWaalsContact O-N 3.11Å; I196-L199 PolarHBondContact O-N 2.88Å; I196-L199 VanDerWaalsContact O-N 3.09Å
200	L	91.8	Very high	83.4	Confident	4 Å²	4	79.9 Å²	79.9	2%	0.021	40%	0.401	C	S	.	.	S	Bend	trans	-72.9	145.7	178.4	-71.4	172.9	0	0	0	111.7	R142 M145 E146 M149 I172 I196	R142-L200 HydrophobicContact CG-CB 4.4Å; R142-L200 HydrophobicContact CG-CD1 4.39Å; M145-L200 HydrophobicContact CB-CD1 4.36Å; M145-L200 HydrophobicContact CB-CD2 4.1Å; E146-L200 HydrophobicContact CB-CD1 3.88Å; M149-L200 HydrophobicContact SD-CD2 3.98Å; M149-L200 HydrophobicContact SD-CG 4.4Å; I172-L200 HydrophobicContact CD1-CD2 3.65Å; I196-L200 HydrophobicContact CG2-CD1 4.06Å; I196-L200 HydrophobicContact CG2-CG 4.43Å; I196-L200 WeakPolarHBondContact O-CG 3.2Å; I196-L200 PolarHBondContact O-N 3.36Å
201	P	91.1	Very high	85.2	Confident	38 Å²	38	76.2 Å²	76.2	25%	0.247	38%	0.375	C	S	.	.			trans	-51.6	142.7	175.2	-24.9	32.3	0	0	0	112.3	F138 R142 L170 I172	F138-P201 HydrophobicContact CE2-CB 4.37Å; F138-P201 HydrophobicContact CZ-CB 4.34Å; R142-P201 WeakPolarHBondContact CD-O 3.45Å; R142-P201 PolarHBondContact NE-O 2.98Å; L170-P201 WeakPolarHBondContact O-CG 3.36Å; I172-P201 HydrophobicContact CD1-CG 4.3Å
202	R	89.7	Confident	86.8	Confident	178 Å²	178	76.3 Å²	76.3	67%	0.672	37%	0.365	S	S	*	.	S	Bend	trans	-97.5	-20.2	176.6	-66.5	-175.9	178.6	179.9	-1.4	113.3	F138 D198	F138-R202 WeakPolarHBondContact CE1-O 3.29Å; D198-R202 IonicContact OD1-NH2 3.24Å; D198-R202 PolarHBondContact OD1-NH2 3.17Å
203	I	92.3	Very high	88.1	Confident	105 Å²	105	73.3 Å²	73.3	54%	0.538	34%	0.343	S	S	.	.	S	Bend	trans	-131.8	142.9	-176.6	-59.1	174.9	0	0	0	106.9	F138 A260	F138-I203 VanDerWaalsContact CE2-C 3.47Å; I203-A260 HydrophobicContact CG2-CB 3.67Å
204	P	92.4	Very high	89.2	Confident	15 Å²	15	69.5 Å²	69.5	10%	0.097	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-60.6	150	176.1	24.4	-34.9	0	0	0	112.4	F138 L169 Y259	F138-P204 HydrophobicContact CB-CB 4.32Å; F138-P204 VanDerWaalsContact CD2-CA 3.48Å; F138-P204 HydrophobicContact CD2-CB 3.61Å; F138-P204 HydrophobicContact CD2-CG 4.37Å; F138-P204 VanDerWaalsContact CE2-CA 3.46Å; F138-P204 HydrophobicContact CE2-CB 4.14Å; F138-P204 HydrophobicContact CG-CB 4.02Å; F138-P204 HydrophobicContact CG-CG 4.38Å; L169-P204 WeakPolarHBondContact O-CA 3.42Å; P204-Y259 HydrophobicContact CB-CE1 4.05Å; P204-Y259 HydrophobicContact CG-CD1 4.08Å; P204-Y259 HydrophobicContact CG-CE1 3.87Å
205	V	91.8	Very high	89.9	Confident	63 Å²	63	62.9 Å²	62.9	38%	0.382	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-67.1	141.2	171.3	179	0	0	0	0	109.2	L169 F207	L169-V205 PolarHBondContact O-N 2.98Å; V205-F207 WeakPolarHBondContact O-CD1 3.41Å
206	R	89.3	Confident	90.7	Very high	204 Å²	204	63.2 Å²	63.2	77%	0.77	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-68.7	132.3	174	-69.1	-172.6	176.8	-173.5	-4.2	109.5
207	F	87.5	Confident	91.2	Very high	30 Å²	30	63.8 Å²	63.8	13%	0.132	30%	0.3	C	S	.	.			trans	-136.1	168.2	177.9	59.3	-100.6	0	0	0	110.5	L169 V205 I209 W213 Y259 F266	L169-F207 HydrophobicContact CD2-CD1 4.29Å; L169-F207 HydrophobicContact CD2-CE1 3.69Å; L169-F207 HydrophobicContact CD2-CZ 4.47Å; V205-F207 WeakPolarHBondContact O-CD1 3.41Å; F207-I209 HydrophobicContact CD2-CG1 4.1Å; F207-I209 HydrophobicContact CE2-CG1 3.69Å; F207-I209 HydrophobicContact CZ-CG1 4.44Å; F207-I209 PolarHBondContact O-N 2.81Å; F207-W213 HydrophobicContact CE2-CH2 4.47Å; F207-W213 AromaticContact CE2-CZ3 3.97Å; F207-W213 HydrophobicContact CE2-CZ3 3.97Å; F207-Y259 HydrophobicContact CE1-CD1 4.33Å; F207-Y259 AromaticContact CE1-CE1 3.49Å; F207-Y259 HydrophobicContact CE1-CE1 3.49Å; F207-Y259 VanDerWaalsContact CE1-CE1 3.49Å; F207-Y259 AromaticContact CE1-CZ 3.85Å; F207-Y259 HydrophobicContact CZ-CD1 4.38Å; F207-Y259 AromaticContact CZ-CE1 3.71Å; F207-Y259 HydrophobicContact CZ-CE1 3.71Å; F207-Y259 HydrophobicContact CZ-CE2 4.49Å; F207-Y259 AromaticContact CZ-CZ 3.75Å; F207-F266 HydrophobicContact CZ-CD2 4.5Å; F207-F266 HydrophobicContact CZ-CE2 4.29Å
208	D	86.7	Confident	91.4	Very high	141 Å²	141	58 Å²	58	75%	0.754	28%	0.281	S	S	*	.			trans	-75.4	93	-175.1	-62.8	-29.7	0	0	0	111.9	Q210	D208-Q210 PolarHBondContact O-NE2 3.26Å
209	I	91.1	Very high	91.4	Very high	11 Å²	11	55.3 Å²	55.3	6%	0.056	27%	0.268	C	S	.	.			trans	-73.1	129.7	173.3	-58.6	159.5	0	0	0	108.7	F207 W213 V247 I252 V255 Q256 F266 W355	F207-I209 HydrophobicContact CD2-CG1 4.1Å; F207-I209 HydrophobicContact CE2-CG1 3.69Å; F207-I209 HydrophobicContact CZ-CG1 4.44Å; F207-I209 PolarHBondContact O-N 2.81Å; I209-W213 HydrophobicContact CG2-CE3 3.95Å; I209-W213 HydrophobicContact CG2-CZ3 4.47Å; I209-V247 HydrophobicContact CG2-CB 4.42Å; I209-V247 HydrophobicContact CG2-CG1 3.95Å; I209-V247 HydrophobicContact CG2-CG2 4Å; I209-I252 HydrophobicContact CB-CD1 4.4Å; I209-I252 HydrophobicContact CD1-CD1 4.42Å; I209-V255 HydrophobicContact CD1-CG1 4.17Å; I209-Q256 HydrophobicContact CD1-CG 3.82Å; I209-F266 HydrophobicContact CD1-CE2 3.92Å; I209-F266 HydrophobicContact CD1-CZ 3.62Å; I209-F266 HydrophobicContact CG1-CE2 3.98Å; I209-F266 HydrophobicContact CG1-CZ 4Å; I209-F266 HydrophobicContact CG2-CD1 4.43Å; I209-F266 HydrophobicContact CG2-CE1 3.97Å; I209-F266 HydrophobicContact CG2-CE2 4.41Å; I209-F266 HydrophobicContact CG2-CZ 3.97Å; I209-W355 VanDerWaalsContact O-CH2 3.24Å; I209-W355 WeakPolarHBondContact O-CH2 3.36Å; I209-W355 WeakPolarHBondContact O-CZ3 3.34Å
210	Q	92.5	Very high	91.4	Very high	70 Å²	70	55.2 Å²	55.2	33%	0.327	27%	0.268	S	S	.	.			trans	-88.1	144.4	179.8	-52.3	-64.9	-53.3	0	0	111.8	D208 W212 W213	D208-Q210 PolarHBondContact O-NE2 3.26Å; Q210-W212 VanDerWaalsContact C-N 3.26Å; Q210-W212 VanDerWaalsContact CB-NE1 3.29Å; Q210-W212 PolarHBondContact O-N 3.2Å; Q210-W213 HydrophobicContact CB-CD2 4.08Å; Q210-W213 HydrophobicContact CB-CG 4.02Å; Q210-W213 HydrophobicContact CB-CZ2 4.37Å; Q210-W213 HydrophobicContact CG-CD2 4.4Å; Q210-W213 HydrophobicContact CG-CZ2 3.79Å; Q210-W213 WeakPolarHBondContact O-CB 3.38Å; Q210-W213 PolarHBondContact O-N 3.44Å; Q210-W213 VanDerWaalsContact O-N 3.16Å
211	S	92.2	Very high	91.2	Very high	47 Å²	47	59.3 Å²	59.3	33%	0.329	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-28.9	-172.8	60.4	0	0	0	0	114.5	V247 A248 W355	S211-V247 PolarHBondContact O-N 3.34Å; S211-A248 WeakPolarHBondContact O-CB 3.42Å; S211-A248 PolarHBondContact O-N 3.45Å; S211-W355 VanDerWaalsContact N-CH2 3.27Å
212	W	93.2	Very high	90.8	Very high	71 Å²	71	65.7 Å²	65.7	27%	0.269	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-7.1	-178.3	62.4	-85.5	0	0	0	113.7	Q210 V268 P269 Y333 Q343	Q210-W212 VanDerWaalsContact C-N 3.26Å; Q210-W212 VanDerWaalsContact CB-NE1 3.29Å; Q210-W212 PolarHBondContact O-N 3.2Å; W212-V268 HydrophobicContact CH2-CG1 3.38Å; W212-V268 HydrophobicContact CZ2-CG1 4.23Å; W212-V268 HydrophobicContact CZ3-CG1 3.82Å; W212-P269 HydrophobicContact CE3-CG 4.33Å; W212-P269 HydrophobicContact CZ3-CG 4.19Å; W212-P269 WeakPolarHBondContact CZ3-O 3.36Å; W212-Y333 AromaticContact CH2-CD2 3.69Å; W212-Y333 HydrophobicContact CH2-CD2 3.69Å; W212-Y333 HydrophobicContact CH2-CE2 4.21Å; W212-Y333 HydrophobicContact CH2-CG 4.29Å; W212-Y333 HydrophobicContact CZ2-CD2 4.3Å; W212-Q343 VanDerWaalsContact CD1-NE2 3.26Å
213	W	95.3	Very high	90.6	Very high	5 Å²	5	63.5 Å²	63.5	2%	0.019	32%	0.318	C	S	.	.	S	Bend	trans	-62.8	150.3	173.9	-67.8	0.2	0	0	0	110	F207 I209 Q210 P246 V247 F266 V268	F207-W213 HydrophobicContact CE2-CH2 4.47Å; F207-W213 AromaticContact CE2-CZ3 3.97Å; F207-W213 HydrophobicContact CE2-CZ3 3.97Å; I209-W213 HydrophobicContact CG2-CE3 3.95Å; I209-W213 HydrophobicContact CG2-CZ3 4.47Å; Q210-W213 HydrophobicContact CB-CD2 4.08Å; Q210-W213 HydrophobicContact CB-CG 4.02Å; Q210-W213 HydrophobicContact CB-CZ2 4.37Å; Q210-W213 HydrophobicContact CG-CD2 4.4Å; Q210-W213 HydrophobicContact CG-CZ2 3.79Å; Q210-W213 WeakPolarHBondContact O-CB 3.38Å; Q210-W213 PolarHBondContact O-N 3.44Å; Q210-W213 VanDerWaalsContact O-N 3.16Å; W213-P246 CarbonylContact O-C 3.56Å; W213-P246 VanDerWaalsContact O-CA 3.29Å; W213-P246 WeakPolarHBondContact O-CA 3.43Å; W213-V247 HydrophobicContact CB-CG2 4.18Å; W213-V247 WeakPolarHBondContact O-CG2 3.29Å; W213-V247 PolarHBondContact O-N 3.49Å; W213-F266 HydrophobicContact CE3-CB 3.99Å; W213-F266 HydrophobicContact CE3-CD1 4.5Å; W213-F266 HydrophobicContact CE3-CD2 4.25Å; W213-F266 AromaticContact CE3-CG 3.99Å; W213-F266 HydrophobicContact CE3-CG 3.99Å; W213-F266 HydrophobicContact CZ3-CD2 4.39Å; W213-V268 HydrophobicContact CD2-CG2 3.62Å; W213-V268 HydrophobicContact CE3-CG2 4.07Å; W213-V268 HydrophobicContact CG-CG2 3.83Å; W213-V268 HydrophobicContact CZ2-CG2 4.19Å
214	L	96.2	Very high	90.3	Very high	41 Å²	41	60.4 Å²	60.4	22%	0.215	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	125.1	177	-60.3	178.6	0	0	0	108.6	P244 S245 P246 F266 D267 P269	L214-P244 HydrophobicContact CB-CB 4.49Å; L214-S245 WeakPolarHBondContact CA-O 3.38Å; L214-P246 HydrophobicContact CD2-CG 4.08Å; L214-F266 CarbonylContact O-C 3.45Å; L214-F266 VanDerWaalsContact O-CA 3.31Å; L214-F266 WeakPolarHBondContact O-CA 3.45Å; L214-D267 HydrophobicContact CB-CB 4.28Å; L214-D267 PolarHBondContact N-O 3.26Å; L214-D267 PolarHBondContact O-N 3.22Å; L214-P269 HydrophobicContact CD1-CB 4.36Å; L214-P269 HydrophobicContact CD1-CG 3.95Å; L214-P269 HydrophobicContact CG-CG 3.99Å
215	V	95.8	Very high	89.8	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	136.7	170.3	56.8	0	0	0	0	109.5	L239 P244 S245 V247 F250 I264 F266	V215-L239 HydrophobicContact CG1-CD1 4.22Å; V215-L239 HydrophobicContact CG1-CD2 4.08Å; V215-L239 HydrophobicContact CG2-CD1 3.86Å; V215-L239 WeakPolarHBondContact O-CD2 3.37Å; V215-P244 WeakPolarHBondContact O-CA 3.38Å; V215-S245 VanDerWaalsContact CG1-O 3.25Å; V215-S245 WeakPolarHBondContact CG1-O 3.43Å; V215-S245 PolarHBondContact N-O 3.45Å; V215-S245 PolarHBondContact O-N 3.49Å; V215-V247 HydrophobicContact CB-CG2 4.12Å; V215-V247 HydrophobicContact CG1-CG2 4.38Å; V215-F250 HydrophobicContact CG1-CD2 3.7Å; V215-F250 HydrophobicContact CG1-CE2 3.47Å; V215-F250 VanDerWaalsContact CG1-CE2 3.47Å; V215-I264 HydrophobicContact CG2-CB 3.89Å; V215-I264 HydrophobicContact CG2-CD1 3.53Å; V215-I264 HydrophobicContact CG2-CG1 4.24Å; V215-I264 HydrophobicContact CG2-CG2 4.18Å; V215-F266 HydrophobicContact CB-CD1 4.25Å; V215-F266 HydrophobicContact CB-CE1 4.21Å; V215-F266 HydrophobicContact CG2-CE1 4.28Å
216	E	94.4	Very high	89.6	Confident	35 Å²	35	64.5 Å²	64.5	16%	0.164	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	151.4	177.8	-170.4	165.2	-163.7	0	0	110.6	K131 P244 I264 Y265	K131-E216 WeakPolarHBondContact CE-OE1 3.01Å; K131-E216 VanDerWaalsContact NZ-CD 3.27Å; K131-E216 IonicContact NZ-OE1 3.71Å; K131-E216 PolarHBondContact NZ-OE1 2.87Å; E216-P244 HydrophobicContact CB-CG 4.47Å; E216-P244 HydrophobicContact CG-CG 4.1Å; E216-I264 VanDerWaalsContact O-CA 3.23Å; E216-I264 WeakPolarHBondContact O-CA 3.35Å; E216-I264 WeakPolarHBondContact O-CB 3.4Å; E216-Y265 HydrophobicContact CB-CE1 4.13Å; E216-Y265 HydrophobicContact CB-CE2 4.09Å; E216-Y265 HydrophobicContact CG-CE1 4.17Å; E216-Y265 WeakPolarHBondContact CG-OH 3.45Å; E216-Y265 PolarHBondContact N-O 3.23Å; E216-Y265 PolarHBondContact O-N 2.92Å; E216-Y265 PolarHBondContact OE2-OH 3.2Å
217	T	93.1	Very high	89.3	Confident	19 Å²	19	60.9 Å²	60.9	12%	0.117	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	135.8	177	47.6	0	0	0	0	110.9	K131 L220 L239 I240 Y265	K131-T217 WeakPolarHBondContact CE-O 3.19Å; T217-L220 HydrophobicContact CG2-CD1 3.99Å; T217-L239 HydrophobicContact CG2-CB 3.63Å; T217-L239 HydrophobicContact CG2-CD1 4.03Å; T217-I240 HydrophobicContact CG2-CG1 4.37Å; T217-Y265 VanDerWaalsContact O-CE1 3.27Å; T217-Y265 WeakPolarHBondContact O-CE1 3.4Å
218	G	89.6	Confident	89.4	Confident	7 Å²	7	60 Å²	60	7%	0.072	32%	0.316	C	S	.	.			trans	-79.3	-156	167.1	0	0	0	0	0	111.7	L220 L263	G218-L220 PolarHBondContact O-N 3.27Å; G218-L263 PolarHBondContact N-O 3.49Å
219	S	87.2	Confident	89.6	Confident	30 Å²	30	57 Å²	57	21%	0.21	30%	0.3	C	S	.	.			trans	-77.2	111.1	171.9	-175.4	0	0	0	0	110.4	K131 R134	K131-S219 WeakPolarHBondContact O-CB 3.29Å; R134-S219 PolarHBondContact NH1-O 2.85Å
220	L	87.4	Confident	89.6	Confident	45 Å²	45	60.3 Å²	60.3	24%	0.236	33%	0.33	C	S	.	.			trans	-100.4	125.1	-179.5	-60	172	0	0	0	110.4	T217 G218 I236 I240 L263	T217-L220 HydrophobicContact CG2-CD1 3.99Å; G218-L220 PolarHBondContact O-N 3.27Å; L220-I236 HydrophobicContact CD1-CG2 3.58Å; L220-I236 HydrophobicContact CD2-CD1 4.01Å; L220-I240 HydrophobicContact CD1-CD1 3.99Å; L220-I240 HydrophobicContact CD1-CG1 4.39Å; L220-L263 HydrophobicContact CD2-CB 4.01Å; L220-L263 HydrophobicContact CD2-CD2 4.14Å
221	L	87.3	Confident	89.6	Confident	90 Å²	90	62.9 Å²	62.9	47%	0.471	34%	0.341	S	S	.	.			trans	-106.4	160.8	168.8	-65.1	171.7	0	0	0	110.2	R134 D223 D224	R134-L221 VanDerWaalsContact NH1-CD1 3.34Å; L221-D223 PolarHBondContact O-N 3.19Å; L221-D224 WeakPolarHBondContact CB-OD2 3.35Å; L221-D224 PolarHBondContact N-OD2 3.13Å; L221-D224 WeakPolarHBondContact O-CB 3.43Å; L221-D224 PolarHBondContact O-N 3.03Å
222	E	82.7	Confident	89.6	Confident	172 Å²	172	61 Å²	61	80%	0.804	33%	0.328	S	S	*	.	H	α-helix	trans	-56.4	-39.8	179.4	-66.1	-178	176.3	0	0	112.1	D224 I225	E222-D224 VanDerWaalsContact C-N 3.28Å; E222-D224 PolarHBondContact O-N 3.3Å; E222-I225 PolarHBondContact O-N 3.23Å
223	D	84.6	Confident	89.5	Confident	133 Å²	133	61 Å²	61	71%	0.711	33%	0.33	S	S	*	.	H	α-helix	trans	-63.8	-30.8	178.9	-66.8	-26	0	0	0	112.9	L221 I225	L221-D223 PolarHBondContact O-N 3.19Å; D223-I225 VanDerWaalsContact C-N 3.28Å; D223-I225 PolarHBondContact O-N 2.8Å
224	D	85.5	Confident	89.4	Confident	40 Å²	40	63.6 Å²	63.6	21%	0.214	35%	0.352	C	S	.	.	H	α-helix	trans	-72.6	-24.5	-177.7	-59.9	-46	0	0	0	112.2	R134 L221 E222 L228 L263	R134-D224 IonicContact CZ-OD2 3.67Å; R134-D224 VanDerWaalsContact CZ-OD2 3.24Å; R134-D224 IonicContact NH1-OD2 2.7Å; R134-D224 PolarHBondContact NH1-OD2 3.12Å; R134-D224 VanDerWaalsContact NH2-CG 3.28Å; R134-D224 IonicContact NH2-OD1 2.73Å; R134-D224 PolarHBondContact NH2-OD1 3.39Å; R134-D224 IonicContact NH2-OD2 2.75Å; R134-D224 PolarHBondContact NH2-OD2 3.44Å; L221-D224 WeakPolarHBondContact CB-OD2 3.35Å; L221-D224 PolarHBondContact N-OD2 3.13Å; L221-D224 WeakPolarHBondContact O-CB 3.43Å; L221-D224 PolarHBondContact O-N 3.03Å; E222-D224 VanDerWaalsContact C-N 3.28Å; E222-D224 PolarHBondContact O-N 3.3Å; D224-L228 WeakPolarHBondContact O-CG 3.31Å; D224-L263 HydrophobicContact CB-CD1 4.31Å; D224-L263 HydrophobicContact CB-CD2 3.66Å
225	I	83.5	Confident	89.3	Confident	63 Å²	63	62 Å²	62	32%	0.323	34%	0.343	S	S	.	.	H	α-helix	trans	-84.7	-22.9	-173.4	-60.3	170.4	0	0	0	111.5	E222 D223 D227 L228 K233	E222-I225 PolarHBondContact O-N 3.23Å; D223-I225 VanDerWaalsContact C-N 3.28Å; D223-I225 PolarHBondContact O-N 2.8Å; I225-D227 PolarHBondContact O-N 3.23Å; I225-L228 HydrophobicContact CG2-CD1 4.48Å; I225-L228 PolarHBondContact O-N 3.26Å; I225-K233 WeakPolarHBondContact O-CE 3.2Å; I225-K233 PolarHBondContact O-NZ 3.12Å
226	V	85.8	Confident	89.1	Confident	101 Å²	101	62 Å²	62	61%	0.612	34%	0.344	S	S	*	.	H	α-helix	trans	-61.9	-45.4	-174.5	-179.1	0	0	0	0	111.4	L228	V226-L228 VanDerWaalsContact C-N 3.3Å; V226-L228 PolarHBondContact O-N 3.34Å
227	D	83.6	Confident	89	Confident	128 Å²	128	64.7 Å²	64.7	68%	0.684	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	9.7	-173.5	-66.3	-29.6	0	0	0	114.4	I225 R261	I225-D227 PolarHBondContact O-N 3.23Å; D227-R261 PolarHBondContact O-NH1 3.01Å; D227-R261 VanDerWaalsContact O-NH1 3.11Å; D227-R261 PolarHBondContact O-NH2 3.35Å
228	L	89.9	Confident	89.1	Confident	10 Å²	10	68.3 Å²	68.3	5%	0.052	37%	0.371	C	S	.	.			trans	-84.9	140.9	179.1	-53.6	-177.8	0	0	0	112	D224 I225 V226 E232 K233 I236 L258 L263	D224-L228 WeakPolarHBondContact O-CG 3.31Å; I225-L228 HydrophobicContact CG2-CD1 4.48Å; I225-L228 PolarHBondContact O-N 3.26Å; V226-L228 VanDerWaalsContact C-N 3.3Å; V226-L228 PolarHBondContact O-N 3.34Å; L228-E232 VanDerWaalsContact CA-OE2 3.28Å; L228-E232 WeakPolarHBondContact CA-OE2 3.23Å; L228-E232 HydrophobicContact CB-CB 4.1Å; L228-K233 HydrophobicContact CB-CD 4.35Å; L228-K233 HydrophobicContact CB-CG 3.67Å; L228-K233 HydrophobicContact CD1-CG 4.32Å; L228-K233 WeakPolarHBondContact O-CE 3.24Å; L228-K233 PolarHBondContact O-NZ 3.17Å; L228-I236 HydrophobicContact CD1-CD1 3.34Å; L228-L258 HydrophobicContact CD1-CD2 4.42Å; L228-L258 HydrophobicContact CD2-CD2 3.98Å; L228-L263 HydrophobicContact CD1-CD1 4.47Å; L228-L263 HydrophobicContact CD2-CD1 3.73Å
229	N	91.9	Very high	89.3	Confident	78 Å²	78	68.3 Å²	68.3	42%	0.417	37%	0.369	S	S	.	.			trans	-74.2	174.4	172.6	74.3	33.5	0	0	0	111.1	E231 E232 K233	N229-E231 VanDerWaalsContact C-N 3.35Å; N229-E231 PolarHBondContact O-N 3.04Å; N229-E231 PolarHBondContact OD1-N 2.96Å; N229-E232 PolarHBondContact N-OE2 2.83Å; N229-E232 PolarHBondContact ND2-OE1 3.31Å; N229-E232 VanDerWaalsContact OD1-CB 3.32Å; N229-E232 WeakPolarHBondContact OD1-CB 3.45Å; N229-E232 VanDerWaalsContact OD1-CG 3.23Å; N229-E232 WeakPolarHBondContact OD1-CG 3.24Å; N229-E232 PolarHBondContact OD1-N 3.24Å; N229-K233 WeakPolarHBondContact O-CB 3.41Å; N229-K233 VanDerWaalsContact O-CG 3.31Å; N229-K233 WeakPolarHBondContact O-CG 3.42Å; N229-K233 PolarHBondContact O-N 3.41Å
230	A	90.6	Very high	89.4	Confident	82 Å²	82	71.5 Å²	71.5	68%	0.678	38%	0.383	S	S	*	.	H	α-helix	trans	-65.3	-35.2	-175.7	0	0	0	0	0	113.6	A234	A230-A234 WeakPolarHBondContact O-CB 3.29Å; A230-A234 PolarHBondContact O-N 3.1Å
231	E	91.5	Very high	89.7	Confident	123 Å²	123	75.5 Å²	75.5	58%	0.575	41%	0.405	S	S	*	.	H	α-helix	trans	-74.9	-41.3	-179.1	-64.4	-178	176.2	0	0	111.6	N229 A234 L235	N229-E231 VanDerWaalsContact C-N 3.35Å; N229-E231 PolarHBondContact O-N 3.04Å; N229-E231 PolarHBondContact OD1-N 2.96Å; E231-A234 PolarHBondContact O-N 3.03Å; E231-L235 WeakPolarHBondContact O-CB 3.3Å; E231-L235 PolarHBondContact O-N 3.28Å
232	E	92.7	Very high	89.9	Confident	8 Å²	8	80.3 Å²	80.3	4%	0.037	42%	0.417	C	S	.	.	H	α-helix	trans	-60.8	-44.9	173	-72	172.6	173.5	0	0	111.3	L228 N229 L235 I236 A254 A257 L258 R261	L228-E232 VanDerWaalsContact CA-OE2 3.28Å; L228-E232 WeakPolarHBondContact CA-OE2 3.23Å; L228-E232 HydrophobicContact CB-CB 4.1Å; N229-E232 PolarHBondContact N-OE2 2.83Å; N229-E232 PolarHBondContact ND2-OE1 3.31Å; N229-E232 VanDerWaalsContact OD1-CB 3.32Å; N229-E232 WeakPolarHBondContact OD1-CB 3.45Å; N229-E232 VanDerWaalsContact OD1-CG 3.23Å; N229-E232 WeakPolarHBondContact OD1-CG 3.24Å; N229-E232 PolarHBondContact OD1-N 3.24Å; E232-L235 PolarHBondContact O-N 2.97Å; E232-I236 WeakPolarHBondContact O-CG1 3.37Å; E232-I236 PolarHBondContact O-N 3.29Å; E232-A254 HydrophobicContact CG-CB 4.43Å; E232-A257 VanDerWaalsContact OE1-CB 3.27Å; E232-A257 WeakPolarHBondContact OE1-CB 3.49Å; E232-L258 HydrophobicContact CB-CD1 4.38Å; E232-L258 HydrophobicContact CB-CD2 3.96Å; E232-L258 HydrophobicContact CB-CG 4.21Å; E232-L258 HydrophobicContact CG-CD2 4.12Å; E232-L258 HydrophobicContact CG-CG 4.04Å; E232-R261 IonicContact OE1-NH1 3.08Å; E232-R261 IonicContact OE2-CZ 3.65Å; E232-R261 IonicContact OE2-NH1 3.08Å; E232-R261 PolarHBondContact OE2-NH1 3.27Å
233	K	91.4	Very high	90.3	Very high	72 Å²	72	73.1 Å²	73.1	31%	0.313	39%	0.389	S	S	.	.	H	α-helix	trans	-61.5	-47.8	174.5	-74.8	176.2	176.4	165.9	0	111.3	I225 L228 N229 L235 I236 D237	I225-K233 WeakPolarHBondContact O-CE 3.2Å; I225-K233 PolarHBondContact O-NZ 3.12Å; L228-K233 HydrophobicContact CB-CD 4.35Å; L228-K233 HydrophobicContact CB-CG 3.67Å; L228-K233 HydrophobicContact CD1-CG 4.32Å; L228-K233 WeakPolarHBondContact O-CE 3.24Å; L228-K233 PolarHBondContact O-NZ 3.17Å; N229-K233 WeakPolarHBondContact O-CB 3.41Å; N229-K233 VanDerWaalsContact O-CG 3.31Å; N229-K233 WeakPolarHBondContact O-CG 3.42Å; N229-K233 PolarHBondContact O-N 3.41Å; K233-L235 VanDerWaalsContact C-N 3.27Å; K233-L235 PolarHBondContact O-N 3.33Å; K233-I236 PolarHBondContact O-N 3.48Å; K233-D237 WeakPolarHBondContact O-CB 3.46Å; K233-D237 VanDerWaalsContact O-CG 3.23Å; K233-D237 PolarHBondContact O-N 3.2Å
234	A	92.5	Very high	90.7	Very high	59 Å²	59	69.9 Å²	69.9	49%	0.488	38%	0.375	S	S	.	.	H	α-helix	trans	-60.4	-37.2	178.2	0	0	0	0	0	112.4	A230 E231 Y238	A230-A234 WeakPolarHBondContact O-CB 3.29Å; A230-A234 PolarHBondContact O-N 3.1Å; E231-A234 PolarHBondContact O-N 3.03Å; A234-Y238 WeakPolarHBondContact O-CB 3.17Å; A234-Y238 PolarHBondContact O-N 3.46Å
235	L	93.8	Very high	91.2	Very high	6 Å²	6	68.5 Å²	68.5	3%	0.031	37%	0.368	C	S	.	.	H	α-helix	trans	-65.1	-49.4	174.8	-170.1	162.8	0	0	0	111	E231 E232 K233 Y238 L239 F250 A254 V255 L258	E231-L235 WeakPolarHBondContact O-CB 3.3Å; E231-L235 PolarHBondContact O-N 3.28Å; E232-L235 PolarHBondContact O-N 2.97Å; K233-L235 VanDerWaalsContact C-N 3.27Å; K233-L235 PolarHBondContact O-N 3.33Å; L235-Y238 WeakPolarHBondContact O-CB 3.24Å; L235-Y238 PolarHBondContact O-N 2.95Å; L235-L239 HydrophobicContact CD2-CD1 3.45Å; L235-L239 VanDerWaalsContact CD2-CD1 3.45Å; L235-L239 HydrophobicContact CD2-CG 3.98Å; L235-L239 WeakPolarHBondContact O-CG 3.22Å; L235-L239 PolarHBondContact O-N 2.77Å; L235-F250 HydrophobicContact CB-CD1 4.34Å; L235-F250 HydrophobicContact CD1-CB 3.69Å; L235-F250 HydrophobicContact CD1-CD1 3.97Å; L235-F250 HydrophobicContact CD1-CD2 4.42Å; L235-F250 HydrophobicContact CD1-CG 3.77Å; L235-F250 HydrophobicContact CG-CB 4.34Å; L235-F250 HydrophobicContact CG-CD1 3.66Å; L235-F250 HydrophobicContact CG-CD2 4.46Å; L235-F250 HydrophobicContact CG-CE1 4.01Å; L235-F250 HydrophobicContact CG-CG 3.89Å; L235-A254 HydrophobicContact CD1-CB 4.33Å; L235-V255 HydrophobicContact CD1-CG2 3.69Å; L235-L258 HydrophobicContact CB-CD1 4.22Å; L235-L258 HydrophobicContact CD1-CD1 4.03Å; L235-L258 HydrophobicContact CD2-CD1 3.68Å; L235-L258 HydrophobicContact CG-CD1 4.19Å
236	I	92.8	Very high	91.8	Very high	2 Å²	2	67.8 Å²	67.8	1%	0.01	37%	0.368	C	S	.	.	H	α-helix	trans	-60.6	-49.1	177.7	-71.5	-176.4	0	0	0	111.1	L220 L228 E232 K233 Y238 L239 I240 L258	L220-I236 HydrophobicContact CD1-CG2 3.58Å; L220-I236 HydrophobicContact CD2-CD1 4.01Å; L228-I236 HydrophobicContact CD1-CD1 3.34Å; E232-I236 WeakPolarHBondContact O-CG1 3.37Å; E232-I236 PolarHBondContact O-N 3.29Å; K233-I236 PolarHBondContact O-N 3.48Å; I236-Y238 VanDerWaalsContact C-N 3.25Å; I236-Y238 PolarHBondContact O-N 3.23Å; I236-L239 PolarHBondContact O-N 3Å; I236-L239 VanDerWaalsContact O-N 3.08Å; I236-I240 HydrophobicContact CG2-CD1 3.61Å; I236-I240 HydrophobicContact CG2-CG1 4.21Å; I236-I240 WeakPolarHBondContact O-CG1 3.37Å; I236-I240 PolarHBondContact O-N 3.49Å; I236-L258 HydrophobicContact CD1-CD2 3.89Å; I236-L258 HydrophobicContact CG1-CD1 4.03Å; I236-L258 HydrophobicContact CG1-CD2 4.28Å
237	D	92.4	Very high	92.2	Very high	91 Å²	91	63 Å²	63	49%	0.487	34%	0.339	S	S	.	.	H	α-helix	trans	-57.5	-43.2	178.6	-70.3	-21.7	0	0	0	110.3	K233 L239 I240 D241	K233-D237 WeakPolarHBondContact O-CB 3.46Å; K233-D237 VanDerWaalsContact O-CG 3.23Å; K233-D237 PolarHBondContact O-N 3.2Å; D237-L239 PolarHBondContact O-N 3.33Å; D237-I240 PolarHBondContact O-N 3.03Å; D237-D241 WeakPolarHBondContact O-CB 3.26Å; D237-D241 PolarHBondContact O-N 3.24Å
238	Y	94.4	Very high	92.6	Very high	95 Å²	95	58.4 Å²	58.4	37%	0.373	32%	0.319	S	S	.	.	H	α-helix	trans	-60.5	-44.1	175.4	-174	-82.7	0	0	0	112.4	A234 L235 I236 D241 R242 S245 F250	A234-Y238 WeakPolarHBondContact O-CB 3.17Å; A234-Y238 PolarHBondContact O-N 3.46Å; L235-Y238 WeakPolarHBondContact O-CB 3.24Å; L235-Y238 PolarHBondContact O-N 2.95Å; I236-Y238 VanDerWaalsContact C-N 3.25Å; I236-Y238 PolarHBondContact O-N 3.23Å; Y238-D241 PolarHBondContact O-N 2.97Å; Y238-R242 HydrophobicContact CD1-CB 4.22Å; Y238-R242 HydrophobicContact CD1-CG 4.32Å; Y238-R242 HydrophobicContact CD2-CG 4.28Å; Y238-R242 HydrophobicContact CE1-CB 3.93Å; Y238-R242 HydrophobicContact CE1-CG 4.05Å; Y238-R242 HydrophobicContact CE2-CG 4.02Å; Y238-R242 HydrophobicContact CG-CG 4.44Å; Y238-R242 VanDerWaalsContact O-CB 3.26Å; Y238-R242 WeakPolarHBondContact O-CB 3.29Å; Y238-R242 PolarHBondContact O-N 3.23Å; Y238-S245 WeakPolarHBondContact CE1-OG 3.21Å; Y238-F250 AromaticContact CD1-CE1 3.66Å; Y238-F250 HydrophobicContact CD1-CE1 3.66Å; Y238-F250 AromaticContact CD1-CZ 3.49Å; Y238-F250 HydrophobicContact CD1-CZ 3.49Å; Y238-F250 VanDerWaalsContact CD1-CZ 3.49Å; Y238-F250 HydrophobicContact CE1-CE1 4.17Å; Y238-F250 AromaticContact CE1-CZ 3.79Å; Y238-F250 HydrophobicContact CE1-CZ 3.79Å; Y238-F250 HydrophobicContact CG-CE1 4.03Å; Y238-F250 HydrophobicContact CG-CZ 4.32Å
239	L	93.2	Very high	92.8	Very high	6 Å²	6	62.3 Å²	62.3	3%	0.031	34%	0.34	C	S	.	.	H	α-helix	trans	-70.4	-33	179.2	-67.5	-180	0	0	0	112.9	V215 T217 L235 I236 D237 G243 F250 I264	V215-L239 HydrophobicContact CG1-CD1 4.22Å; V215-L239 HydrophobicContact CG1-CD2 4.08Å; V215-L239 HydrophobicContact CG2-CD1 3.86Å; V215-L239 WeakPolarHBondContact O-CD2 3.37Å; T217-L239 HydrophobicContact CG2-CB 3.63Å; T217-L239 HydrophobicContact CG2-CD1 4.03Å; L235-L239 HydrophobicContact CD2-CD1 3.45Å; L235-L239 VanDerWaalsContact CD2-CD1 3.45Å; L235-L239 HydrophobicContact CD2-CG 3.98Å; L235-L239 WeakPolarHBondContact O-CG 3.22Å; L235-L239 PolarHBondContact O-N 2.77Å; I236-L239 PolarHBondContact O-N 3Å; I236-L239 VanDerWaalsContact O-N 3.08Å; D237-L239 PolarHBondContact O-N 3.33Å; L239-G243 WeakPolarHBondContact CD2-O 3.5Å; L239-G243 WeakPolarHBondContact O-CA 3.41Å; L239-G243 PolarHBondContact O-N 3.26Å; L239-F250 HydrophobicContact CD2-CE2 4.17Å; L239-F250 HydrophobicContact CD2-CZ 3.93Å; L239-F250 HydrophobicContact CG-CZ 4.47Å; L239-I264 HydrophobicContact CD1-CG2 4.37Å
240	I	90.4	Very high	92.8	Very high	97 Å²	97	59.8 Å²	59.8	50%	0.497	33%	0.325	S	S	.	.	H	α-helix	trans	-65.1	-44.4	172.9	-68.2	170.3	0	0	0	109.9	T217 L220 I236 D237	T217-I240 HydrophobicContact CG2-CG1 4.37Å; L220-I240 HydrophobicContact CD1-CD1 3.99Å; L220-I240 HydrophobicContact CD1-CG1 4.39Å; I236-I240 HydrophobicContact CG2-CD1 3.61Å; I236-I240 HydrophobicContact CG2-CG1 4.21Å; I236-I240 WeakPolarHBondContact O-CG1 3.37Å; I236-I240 PolarHBondContact O-N 3.49Å; D237-I240 PolarHBondContact O-N 3.03Å
241	D	93.3	Very high	92.9	Very high	130 Å²	130	58.2 Å²	58.2	70%	0.695	31%	0.305	S	S	*	.	H	α-helix	trans	-77.5	-37.3	-175.7	-74.5	-16.9	0	0	0	113.6	D237 Y238	D237-D241 WeakPolarHBondContact O-CB 3.26Å; D237-D241 PolarHBondContact O-N 3.24Å; Y238-D241 PolarHBondContact O-N 2.97Å
242	R	91.8	Very high	92.9	Very high	190 Å²	190	53 Å²	53	72%	0.717	28%	0.281	S	S	*	.	H	α-helix	trans	-109	-18.9	-171.8	-60.5	-61.3	-171.1	173.9	-0.5	114.3	Y238	Y238-R242 HydrophobicContact CD1-CB 4.22Å; Y238-R242 HydrophobicContact CD1-CG 4.32Å; Y238-R242 HydrophobicContact CD2-CG 4.28Å; Y238-R242 HydrophobicContact CE1-CB 3.93Å; Y238-R242 HydrophobicContact CE1-CG 4.05Å; Y238-R242 HydrophobicContact CE2-CG 4.02Å; Y238-R242 HydrophobicContact CG-CG 4.44Å; Y238-R242 VanDerWaalsContact O-CB 3.26Å; Y238-R242 WeakPolarHBondContact O-CB 3.29Å; Y238-R242 PolarHBondContact O-N 3.23Å
243	G	91	Very high	92.9	Very high	21 Å²	21	59.1 Å²	59.1	22%	0.216	31%	0.31	C	S	.	.			trans	82.3	-165.2	-174.5	0	0	0	0	0	113.9	L239 S245	L239-G243 WeakPolarHBondContact CD2-O 3.5Å; L239-G243 WeakPolarHBondContact O-CA 3.41Å; L239-G243 PolarHBondContact O-N 3.26Å; G243-S245 PolarHBondContact O-N 2.88Å; G243-S245 PolarHBondContact O-OG 2.99Å; G243-S245 VanDerWaalsContact O-OG 3.11Å
244	P	92.7	Very high	93	Very high	66 Å²	66	56 Å²	56	43%	0.429	30%	0.297	S	S	.	.	S	Bend	trans	-56.4	132	-174.3	-23.8	33.1	0	0	0	112.2	L214 V215 E216	L214-P244 HydrophobicContact CB-CB 4.49Å; V215-P244 WeakPolarHBondContact O-CA 3.38Å; E216-P244 HydrophobicContact CB-CG 4.47Å; E216-P244 HydrophobicContact CG-CG 4.1Å
245	S	95.4	Very high	93.1	Very high	10 Å²	10	53.1 Å²	53.1	7%	0.07	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	149.9	-173.1	-67.7	0	0	0	0	111.8	L214 V215 Y238 G243	L214-S245 WeakPolarHBondContact CA-O 3.38Å; V215-S245 VanDerWaalsContact CG1-O 3.25Å; V215-S245 WeakPolarHBondContact CG1-O 3.43Å; V215-S245 PolarHBondContact N-O 3.45Å; V215-S245 PolarHBondContact O-N 3.49Å; Y238-S245 WeakPolarHBondContact CE1-OG 3.21Å; G243-S245 PolarHBondContact O-N 2.88Å; G243-S245 PolarHBondContact O-OG 2.99Å; G243-S245 VanDerWaalsContact O-OG 3.11Å
246	P	95.8	Very high	93.1	Very high	48 Å²	48	54.6 Å²	54.6	31%	0.312	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	138.1	177.9	-24.4	34.4	0	0	0	112.6	W213 L214 A248 N249	W213-P246 CarbonylContact O-C 3.56Å; W213-P246 VanDerWaalsContact O-CA 3.29Å; W213-P246 WeakPolarHBondContact O-CA 3.43Å; L214-P246 HydrophobicContact CD2-CG 4.08Å; P246-A248 PolarHBondContact O-N 3.34Å; P246-A248 VanDerWaalsContact O-N 3.15Å; P246-N249 WeakPolarHBondContact O-CB 3.35Å; P246-N249 PolarHBondContact O-N 3.31Å; P246-N249 VanDerWaalsContact O-N 3.1Å
247	V	94.2	Very high	93.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-56.6	-31.7	177.1	179.6	0	0	0	0	111.6	I209 S211 W213 V215 N249 F250 I252 V255 F266 W355	I209-V247 HydrophobicContact CG2-CB 4.42Å; I209-V247 HydrophobicContact CG2-CG1 3.95Å; I209-V247 HydrophobicContact CG2-CG2 4Å; S211-V247 PolarHBondContact O-N 3.34Å; W213-V247 HydrophobicContact CB-CG2 4.18Å; W213-V247 WeakPolarHBondContact O-CG2 3.29Å; W213-V247 PolarHBondContact O-N 3.49Å; V215-V247 HydrophobicContact CB-CG2 4.12Å; V215-V247 HydrophobicContact CG1-CG2 4.38Å; V247-N249 PolarHBondContact O-N 2.97Å; V247-F250 PolarHBondContact O-N 3.36Å; V247-I252 HydrophobicContact CG1-CD1 4.43Å; V247-V255 HydrophobicContact CG1-CG1 4.08Å; V247-V255 HydrophobicContact CG1-CG2 4.15Å; V247-F266 HydrophobicContact CG2-CD1 3.97Å; V247-F266 HydrophobicContact CG2-CE1 3.79Å; V247-W355 HydrophobicContact CG1-CH2 4.36Å; V247-W355 HydrophobicContact CG1-CZ2 3.9Å
248	A	93	Very high	93.2	Very high	32 Å²	32	51.6 Å²	51.6	26%	0.264	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-51.9	-25.8	176.6	0	0	0	0	0	114.8	S211 P246 F250 N352	S211-A248 WeakPolarHBondContact O-CB 3.42Å; S211-A248 PolarHBondContact O-N 3.45Å; P246-A248 PolarHBondContact O-N 3.34Å; P246-A248 VanDerWaalsContact O-N 3.15Å; A248-F250 VanDerWaalsContact C-N 3.28Å; A248-F250 PolarHBondContact O-N 2.92Å; A248-N352 PolarHBondContact O-ND2 3.44Å
249	N	92.9	Very high	93.2	Very high	92 Å²	92	48.3 Å²	48.3	49%	0.492	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-79.5	-11.2	-177.7	-67.3	-3.3	0	0	0	113.4	P246 V247	P246-N249 WeakPolarHBondContact O-CB 3.35Å; P246-N249 PolarHBondContact O-N 3.31Å; P246-N249 VanDerWaalsContact O-N 3.1Å; V247-N249 PolarHBondContact O-N 2.97Å
250	F	93.9	Very high	93.1	Very high	25 Å²	25	49.7 Å²	49.7	11%	0.11	27%	0.268	C	S	.	.	S	Bend	trans	-120.6	163.9	-173.3	-53	-70.7	0	0	0	111.4	V215 L235 Y238 L239 V247 A248 V255	V215-F250 HydrophobicContact CG1-CD2 3.7Å; V215-F250 HydrophobicContact CG1-CE2 3.47Å; V215-F250 VanDerWaalsContact CG1-CE2 3.47Å; L235-F250 HydrophobicContact CB-CD1 4.34Å; L235-F250 HydrophobicContact CD1-CB 3.69Å; L235-F250 HydrophobicContact CD1-CD1 3.97Å; L235-F250 HydrophobicContact CD1-CD2 4.42Å; L235-F250 HydrophobicContact CD1-CG 3.77Å; L235-F250 HydrophobicContact CG-CB 4.34Å; L235-F250 HydrophobicContact CG-CD1 3.66Å; L235-F250 HydrophobicContact CG-CD2 4.46Å; L235-F250 HydrophobicContact CG-CE1 4.01Å; L235-F250 HydrophobicContact CG-CG 3.89Å; Y238-F250 AromaticContact CD1-CE1 3.66Å; Y238-F250 HydrophobicContact CD1-CE1 3.66Å; Y238-F250 AromaticContact CD1-CZ 3.49Å; Y238-F250 HydrophobicContact CD1-CZ 3.49Å; Y238-F250 VanDerWaalsContact CD1-CZ 3.49Å; Y238-F250 HydrophobicContact CE1-CE1 4.17Å; Y238-F250 AromaticContact CE1-CZ 3.79Å; Y238-F250 HydrophobicContact CE1-CZ 3.79Å; Y238-F250 HydrophobicContact CG-CE1 4.03Å; Y238-F250 HydrophobicContact CG-CZ 4.32Å; L239-F250 HydrophobicContact CD2-CE2 4.17Å; L239-F250 HydrophobicContact CD2-CZ 3.93Å; L239-F250 HydrophobicContact CG-CZ 4.47Å; V247-F250 PolarHBondContact O-N 3.36Å; A248-F250 VanDerWaalsContact C-N 3.28Å; A248-F250 PolarHBondContact O-N 2.92Å; F250-V255 HydrophobicContact CB-CG2 3.81Å
251	D	92.5	Very high	93.2	Very high	49 Å²	49	51 Å²	51	26%	0.262	27%	0.266	S	S	.	.			trans	-71.8	137	171	-177	53.1	0	0	0	111.4	E253 A254 V255 S354	D251-E253 VanDerWaalsContact C-N 3.33Å; D251-E253 PolarHBondContact O-N 3.37Å; D251-E253 WeakPolarHBondContact OD2-CB 3.36Å; D251-E253 PolarHBondContact OD2-N 2.89Å; D251-E253 VanDerWaalsContact OD2-N 3.11Å; D251-A254 HydrophobicContact CB-CB 4.37Å; D251-A254 PolarHBondContact O-N 3.49Å; D251-A254 PolarHBondContact OD2-N 2.96Å; D251-V255 VanDerWaalsContact O-CG2 3.3Å; D251-V255 WeakPolarHBondContact O-CG2 3.24Å; D251-V255 PolarHBondContact O-N 3.16Å; D251-V255 VanDerWaalsContact O-N 3.07Å; D251-S354 WeakPolarHBondContact OD1-CB 3.32Å
252	I	91.6	Very high	93.1	Very high	14 Å²	14	45.7 Å²	45.7	7%	0.072	24%	0.243	C	C	.	.	H	α-helix	trans	-69.7	-32	-173.6	-170	61.3	0	0	0	111.7	I209 V247 V255 Q256 W355	I209-I252 HydrophobicContact CB-CD1 4.4Å; I209-I252 HydrophobicContact CD1-CD1 4.42Å; V247-I252 HydrophobicContact CG1-CD1 4.43Å; I252-V255 PolarHBondContact O-N 3.29Å; I252-Q256 HydrophobicContact CD1-CG 4.48Å; I252-Q256 HydrophobicContact CG1-CG 4.43Å; I252-Q256 WeakPolarHBondContact O-CB 3.32Å; I252-Q256 VanDerWaalsContact O-CG 3.29Å; I252-Q256 WeakPolarHBondContact O-CG 3.34Å; I252-Q256 PolarHBondContact O-N 3.21Å; I252-W355 HydrophobicContact CD1-CH2 4.22Å; I252-W355 HydrophobicContact CD1-CZ2 4.01Å
253	E	92.5	Very high	93.1	Very high	137 Å²	137	37 Å²	37	64%	0.64	21%	0.211	S	C	*	.	H	α-helix	trans	-70	-43.6	178.7	-57.8	-169.2	167.6	0	0	110.6	D251 V255 Q256 A257	D251-E253 VanDerWaalsContact C-N 3.33Å; D251-E253 PolarHBondContact O-N 3.37Å; D251-E253 WeakPolarHBondContact OD2-CB 3.36Å; D251-E253 PolarHBondContact OD2-N 2.89Å; D251-E253 VanDerWaalsContact OD2-N 3.11Å; E253-V255 PolarHBondContact O-N 3.14Å; E253-Q256 PolarHBondContact O-N 3.04Å; E253-A257 VanDerWaalsContact O-CB 3.29Å; E253-A257 WeakPolarHBondContact O-CB 3.29Å; E253-A257 PolarHBondContact O-N 3.33Å
254	A	93.1	Very high	93.3	Very high	5 Å²	5	36.1 Å²	36.1	4%	0.041	20%	0.201	C	C	.	.	H	α-helix	trans	-60	-44.1	174.1	0	0	0	0	0	111.8	E232 L235 D251 A257 L258	E232-A254 HydrophobicContact CG-CB 4.43Å; L235-A254 HydrophobicContact CD1-CB 4.33Å; D251-A254 HydrophobicContact CB-CB 4.37Å; D251-A254 PolarHBondContact O-N 3.49Å; D251-A254 PolarHBondContact OD2-N 2.96Å; A254-A257 PolarHBondContact O-N 3.31Å; A254-L258 WeakPolarHBondContact O-CB 3.49Å; A254-L258 WeakPolarHBondContact O-CG 3.24Å; A254-L258 PolarHBondContact O-N 2.96Å
255	V	94.5	Very high	93.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.7	-49.7	175.7	171.7	0	0	0	0	110.9	I209 L235 V247 F250 D251 I252 E253 A257 L258 Y259 I264 F266	I209-V255 HydrophobicContact CD1-CG1 4.17Å; L235-V255 HydrophobicContact CD1-CG2 3.69Å; V247-V255 HydrophobicContact CG1-CG1 4.08Å; V247-V255 HydrophobicContact CG1-CG2 4.15Å; F250-V255 HydrophobicContact CB-CG2 3.81Å; D251-V255 VanDerWaalsContact O-CG2 3.3Å; D251-V255 WeakPolarHBondContact O-CG2 3.24Å; D251-V255 PolarHBondContact O-N 3.16Å; D251-V255 VanDerWaalsContact O-N 3.07Å; I252-V255 PolarHBondContact O-N 3.29Å; E253-V255 PolarHBondContact O-N 3.14Å; V255-A257 VanDerWaalsContact C-N 3.32Å; V255-A257 PolarHBondContact O-N 2.84Å; V255-L258 PolarHBondContact O-N 3.31Å; V255-Y259 WeakPolarHBondContact O-CB 3.38Å; V255-Y259 PolarHBondContact O-N 3.49Å; V255-I264 HydrophobicContact CG1-CD1 3.99Å; V255-I264 WeakPolarHBondContact O-CD1 3.36Å; V255-F266 HydrophobicContact CG1-CE1 3.7Å; V255-F266 HydrophobicContact CG1-CZ 3.64Å
256	Q	93.9	Very high	93.4	Very high	37 Å²	37	33.6 Å²	33.6	17%	0.173	18%	0.182	C	C	.	.	H	α-helix	trans	-62.2	-39.2	179.7	-75.4	-179.4	4.6	0	0	112.3	I209 I252 E253 Y259 A260	I209-Q256 HydrophobicContact CD1-CG 3.82Å; I252-Q256 HydrophobicContact CD1-CG 4.48Å; I252-Q256 HydrophobicContact CG1-CG 4.43Å; I252-Q256 WeakPolarHBondContact O-CB 3.32Å; I252-Q256 VanDerWaalsContact O-CG 3.29Å; I252-Q256 WeakPolarHBondContact O-CG 3.34Å; I252-Q256 PolarHBondContact O-N 3.21Å; E253-Q256 PolarHBondContact O-N 3.04Å; Q256-Y259 PolarHBondContact O-N 3.03Å; Q256-A260 WeakPolarHBondContact O-CB 2.81Å; Q256-A260 PolarHBondContact O-N 3.4Å
257	A	92.5	Very high	93.3	Very high	29 Å²	29	34.6 Å²	34.6	24%	0.24	19%	0.185	C	C	.	.	H	α-helix	trans	-65.3	-45.6	178.2	0	0	0	0	0	111.9	E232 E253 A254 V255 A260 R261	E232-A257 VanDerWaalsContact OE1-CB 3.27Å; E232-A257 WeakPolarHBondContact OE1-CB 3.49Å; E253-A257 VanDerWaalsContact O-CB 3.29Å; E253-A257 WeakPolarHBondContact O-CB 3.29Å; E253-A257 PolarHBondContact O-N 3.33Å; A254-A257 PolarHBondContact O-N 3.31Å; V255-A257 VanDerWaalsContact C-N 3.32Å; V255-A257 PolarHBondContact O-N 2.84Å; A257-A260 PolarHBondContact O-N 2.83Å; A257-R261 WeakPolarHBondContact O-CG 3.36Å; A257-R261 PolarHBondContact O-N 3.18Å
258	L	94	Very high	93.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.8	-39.4	176.4	-72.7	177	0	0	0	112.4	L228 E232 L235 I236 A254 V255 R261 G262 L263 I264	L228-L258 HydrophobicContact CD1-CD2 4.42Å; L228-L258 HydrophobicContact CD2-CD2 3.98Å; E232-L258 HydrophobicContact CB-CD1 4.38Å; E232-L258 HydrophobicContact CB-CD2 3.96Å; E232-L258 HydrophobicContact CB-CG 4.21Å; E232-L258 HydrophobicContact CG-CD2 4.12Å; E232-L258 HydrophobicContact CG-CG 4.04Å; L235-L258 HydrophobicContact CB-CD1 4.22Å; L235-L258 HydrophobicContact CD1-CD1 4.03Å; L235-L258 HydrophobicContact CD2-CD1 3.68Å; L235-L258 HydrophobicContact CG-CD1 4.19Å; I236-L258 HydrophobicContact CD1-CD2 3.89Å; I236-L258 HydrophobicContact CG1-CD1 4.03Å; I236-L258 HydrophobicContact CG1-CD2 4.28Å; A254-L258 WeakPolarHBondContact O-CB 3.49Å; A254-L258 WeakPolarHBondContact O-CG 3.24Å; A254-L258 PolarHBondContact O-N 2.96Å; V255-L258 PolarHBondContact O-N 3.31Å; L258-R261 PolarHBondContact O-N 2.77Å; L258-G262 PolarHBondContact O-N 2.94Å; L258-G262 VanDerWaalsContact O-N 3.16Å; L258-L263 HydrophobicContact CD2-CB 4.41Å; L258-L263 HydrophobicContact CD2-CD1 4.06Å; L258-L263 PolarHBondContact O-N 2.74Å; L258-I264 HydrophobicContact CB-CD1 3.74Å; L258-I264 HydrophobicContact CB-CG1 3.77Å; L258-I264 HydrophobicContact CB-CG2 4.11Å; L258-I264 HydrophobicContact CD1-CG2 4.28Å
259	Y	94	Very high	93.4	Very high	26 Å²	26	35.5 Å²	35.5	10%	0.102	19%	0.188	C	C	.	.	H	α-helix	trans	-66.1	-42.8	176.1	-178.2	-96.5	0	0	0	111.5	L169 P204 F207 V255 Q256 R261 G262 F266	L169-Y259 VanDerWaalsContact CD2-OH 3.26Å; L169-Y259 WeakPolarHBondContact CD2-OH 3.24Å; P204-Y259 HydrophobicContact CB-CE1 4.05Å; P204-Y259 HydrophobicContact CG-CD1 4.08Å; P204-Y259 HydrophobicContact CG-CE1 3.87Å; F207-Y259 HydrophobicContact CE1-CD1 4.33Å; F207-Y259 AromaticContact CE1-CE1 3.49Å; F207-Y259 HydrophobicContact CE1-CE1 3.49Å; F207-Y259 VanDerWaalsContact CE1-CE1 3.49Å; F207-Y259 AromaticContact CE1-CZ 3.85Å; F207-Y259 HydrophobicContact CZ-CD1 4.38Å; F207-Y259 AromaticContact CZ-CE1 3.71Å; F207-Y259 HydrophobicContact CZ-CE1 3.71Å; F207-Y259 HydrophobicContact CZ-CE2 4.49Å; F207-Y259 AromaticContact CZ-CZ 3.75Å; V255-Y259 WeakPolarHBondContact O-CB 3.38Å; V255-Y259 PolarHBondContact O-N 3.49Å; Q256-Y259 PolarHBondContact O-N 3.03Å; Y259-R261 PolarHBondContact O-N 3Å; Y259-G262 WeakPolarHBondContact O-CA 3.39Å; Y259-G262 PolarHBondContact O-N 3.39Å; Y259-F266 HydrophobicContact CD1-CE2 4.43Å; Y259-F266 AromaticContact CD2-CD2 3.86Å; Y259-F266 HydrophobicContact CD2-CD2 3.86Å; Y259-F266 AromaticContact CD2-CE2 3.31Å; Y259-F266 HydrophobicContact CD2-CE2 3.31Å; Y259-F266 HydrophobicContact CD2-CZ 4.01Å; Y259-F266 AromaticContact CE2-CD2 3.82Å; Y259-F266 HydrophobicContact CE2-CD2 3.82Å; Y259-F266 AromaticContact CE2-CE2 3.68Å; Y259-F266 HydrophobicContact CE2-CE2 3.68Å; Y259-F266 AromaticContact CG-CE2 3.73Å; Y259-F266 HydrophobicContact CG-CE2 3.73Å; Y259-F266 HydrophobicContact CG-CZ 4.23Å
260	A	92.6	Very high	93.5	Very high	36 Å²	36	31.8 Å²	31.8	30%	0.298	17%	0.169	S	C	.	.	H	α-helix	trans	-60.3	-32.9	175	0	0	0	0	0	112.9	I203 Q256 A257 G262	I203-A260 HydrophobicContact CG2-CB 3.67Å; Q256-A260 WeakPolarHBondContact O-CB 2.81Å; Q256-A260 PolarHBondContact O-N 3.4Å; A257-A260 PolarHBondContact O-N 2.83Å; A260-G262 VanDerWaalsContact C-N 3.29Å
261	R	91.8	Very high	93.5	Very high	123 Å²	123	33.3 Å²	33.3	46%	0.464	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-11.7	172.7	-69.4	171	174.8	-166.7	-16.1	113.2	D227 E232 A257 L258 Y259 L263	D227-R261 PolarHBondContact O-NH1 3.01Å; D227-R261 VanDerWaalsContact O-NH1 3.11Å; D227-R261 PolarHBondContact O-NH2 3.35Å; E232-R261 IonicContact OE1-NH1 3.08Å; E232-R261 IonicContact OE2-CZ 3.65Å; E232-R261 IonicContact OE2-NH1 3.08Å; E232-R261 PolarHBondContact OE2-NH1 3.27Å; A257-R261 WeakPolarHBondContact O-CG 3.36Å; A257-R261 PolarHBondContact O-N 3.18Å; L258-R261 PolarHBondContact O-N 2.77Å; Y259-R261 PolarHBondContact O-N 3Å; R261-L263 VanDerWaalsContact C-N 3.33Å; R261-L263 HydrophobicContact CB-CD1 4Å; R261-L263 HydrophobicContact CB-CG 3.89Å
262	G	91	Very high	93.5	Very high	20 Å²	20	35.1 Å²	35.1	21%	0.206	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	19.3	-178.1	0	0	0	0	0	114.2	L258 Y259 A260	L258-G262 PolarHBondContact O-N 2.94Å; L258-G262 VanDerWaalsContact O-N 3.16Å; Y259-G262 WeakPolarHBondContact O-CA 3.39Å; Y259-G262 PolarHBondContact O-N 3.39Å; A260-G262 VanDerWaalsContact C-N 3.29Å
263	L	92.6	Very high	93.7	Very high	7 Å²	7	39.7 Å²	39.7	4%	0.037	21%	0.212	C	C	.	.	S	Bend	trans	-91.3	-13.4	-175.8	-60.1	178.9	0	0	0	113.4	G218 L220 D224 L228 L258 R261	G218-L263 PolarHBondContact N-O 3.49Å; L220-L263 HydrophobicContact CD2-CB 4.01Å; L220-L263 HydrophobicContact CD2-CD2 4.14Å; D224-L263 HydrophobicContact CB-CD1 4.31Å; D224-L263 HydrophobicContact CB-CD2 3.66Å; L228-L263 HydrophobicContact CD1-CD1 4.47Å; L228-L263 HydrophobicContact CD2-CD1 3.73Å; L258-L263 HydrophobicContact CD2-CB 4.41Å; L258-L263 HydrophobicContact CD2-CD1 4.06Å; L258-L263 PolarHBondContact O-N 2.74Å; R261-L263 VanDerWaalsContact C-N 3.33Å; R261-L263 HydrophobicContact CB-CD1 4Å; R261-L263 HydrophobicContact CB-CG 3.89Å
264	I	94.4	Very high	93.7	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	160.1	174.4	61.9	167.9	0	0	0	109.7	V215 E216 L239 V255 L258 F266	V215-I264 HydrophobicContact CG2-CB 3.89Å; V215-I264 HydrophobicContact CG2-CD1 3.53Å; V215-I264 HydrophobicContact CG2-CG1 4.24Å; V215-I264 HydrophobicContact CG2-CG2 4.18Å; E216-I264 VanDerWaalsContact O-CA 3.23Å; E216-I264 WeakPolarHBondContact O-CA 3.35Å; E216-I264 WeakPolarHBondContact O-CB 3.4Å; L239-I264 HydrophobicContact CD1-CG2 4.37Å; V255-I264 HydrophobicContact CG1-CD1 3.99Å; V255-I264 WeakPolarHBondContact O-CD1 3.36Å; L258-I264 HydrophobicContact CB-CD1 3.74Å; L258-I264 HydrophobicContact CB-CG1 3.77Å; L258-I264 HydrophobicContact CB-CG2 4.11Å; L258-I264 HydrophobicContact CD1-CG2 4.28Å; I264-F266 HydrophobicContact CD1-CE1 4.44Å; I264-F266 HydrophobicContact CD1-CZ 4.4Å
265	Y	94.8	Very high	93.7	Very high	10 Å²	10	34.9 Å²	34.9	4%	0.039	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	171	168.2	66	-86.5	0	0	0	110.1	D127 V130 K131 E216 T217	D127-Y265 WeakPolarHBondContact CA-OH 3.45Å; V130-Y265 HydrophobicContact CB-CD1 3.83Å; V130-Y265 HydrophobicContact CB-CE1 4.14Å; V130-Y265 HydrophobicContact CB-CG 4.33Å; V130-Y265 HydrophobicContact CG1-CD1 3.58Å; V130-Y265 HydrophobicContact CG1-CE1 4.23Å; V130-Y265 HydrophobicContact CG1-CG 4.2Å; V130-Y265 HydrophobicContact CG2-CD1 4.29Å; V130-Y265 HydrophobicContact CG2-CG 4.28Å; K131-Y265 WeakPolarHBondContact CE-OH 3.39Å; K131-Y265 HydrophobicContact CG-CE1 4.04Å; E216-Y265 HydrophobicContact CB-CE1 4.13Å; E216-Y265 HydrophobicContact CB-CE2 4.09Å; E216-Y265 HydrophobicContact CG-CE1 4.17Å; E216-Y265 WeakPolarHBondContact CG-OH 3.45Å; E216-Y265 PolarHBondContact N-O 3.23Å; E216-Y265 PolarHBondContact O-N 2.92Å; E216-Y265 PolarHBondContact OE2-OH 3.2Å; T217-Y265 VanDerWaalsContact O-CE1 3.27Å; T217-Y265 WeakPolarHBondContact O-CE1 3.4Å
266	F	95.2	Very high	93.7	Very high	14 Å²	14	35 Å²	35	6%	0.061	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.9	179.7	-56.8	-64.9	0	0	0	110.4	F207 I209 W213 L214 V215 V247 V255 Y259 I264	F207-F266 HydrophobicContact CZ-CD2 4.5Å; F207-F266 HydrophobicContact CZ-CE2 4.29Å; I209-F266 HydrophobicContact CD1-CE2 3.92Å; I209-F266 HydrophobicContact CD1-CZ 3.62Å; I209-F266 HydrophobicContact CG1-CE2 3.98Å; I209-F266 HydrophobicContact CG1-CZ 4Å; I209-F266 HydrophobicContact CG2-CD1 4.43Å; I209-F266 HydrophobicContact CG2-CE1 3.97Å; I209-F266 HydrophobicContact CG2-CE2 4.41Å; I209-F266 HydrophobicContact CG2-CZ 3.97Å; W213-F266 HydrophobicContact CE3-CB 3.99Å; W213-F266 HydrophobicContact CE3-CD1 4.5Å; W213-F266 HydrophobicContact CE3-CD2 4.25Å; W213-F266 AromaticContact CE3-CG 3.99Å; W213-F266 HydrophobicContact CE3-CG 3.99Å; W213-F266 HydrophobicContact CZ3-CD2 4.39Å; L214-F266 CarbonylContact O-C 3.45Å; L214-F266 VanDerWaalsContact O-CA 3.31Å; L214-F266 WeakPolarHBondContact O-CA 3.45Å; V215-F266 HydrophobicContact CB-CD1 4.25Å; V215-F266 HydrophobicContact CB-CE1 4.21Å; V215-F266 HydrophobicContact CG2-CE1 4.28Å; V247-F266 HydrophobicContact CG2-CD1 3.97Å; V247-F266 HydrophobicContact CG2-CE1 3.79Å; V255-F266 HydrophobicContact CG1-CE1 3.7Å; V255-F266 HydrophobicContact CG1-CZ 3.64Å; Y259-F266 HydrophobicContact CD1-CE2 4.43Å; Y259-F266 AromaticContact CD2-CD2 3.86Å; Y259-F266 HydrophobicContact CD2-CD2 3.86Å; Y259-F266 AromaticContact CD2-CE2 3.31Å; Y259-F266 HydrophobicContact CD2-CE2 3.31Å; Y259-F266 HydrophobicContact CD2-CZ 4.01Å; Y259-F266 AromaticContact CE2-CD2 3.82Å; Y259-F266 HydrophobicContact CE2-CD2 3.82Å; Y259-F266 AromaticContact CE2-CE2 3.68Å; Y259-F266 HydrophobicContact CE2-CE2 3.68Å; Y259-F266 AromaticContact CG-CE2 3.73Å; Y259-F266 HydrophobicContact CG-CE2 3.73Å; Y259-F266 HydrophobicContact CG-CZ 4.23Å; I264-F266 HydrophobicContact CD1-CE1 4.44Å; I264-F266 HydrophobicContact CD1-CZ 4.4Å
267	D	94.1	Very high	93.5	Very high	68 Å²	68	34 Å²	34	36%	0.364	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	136.4	159.3	-178.6	32.2	0	0	0	108.8	L214 P269	L214-D267 HydrophobicContact CB-CB 4.28Å; L214-D267 PolarHBondContact N-O 3.26Å; L214-D267 PolarHBondContact O-N 3.22Å; D267-P269 VanDerWaalsContact O-CD 3.23Å; D267-P269 WeakPolarHBondContact O-CD 3.25Å
268	V	95.1	Very high	93.5	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.012	19%	0.185	C	C	.	.			trans	-115.1	86.6	-176.5	-179.6	0	0	0	0	107.4	W212 W213 S330 Y333 Q334	W212-V268 HydrophobicContact CH2-CG1 3.38Å; W212-V268 HydrophobicContact CZ2-CG1 4.23Å; W212-V268 HydrophobicContact CZ3-CG1 3.82Å; W213-V268 HydrophobicContact CD2-CG2 3.62Å; W213-V268 HydrophobicContact CE3-CG2 4.07Å; W213-V268 HydrophobicContact CG-CG2 3.83Å; W213-V268 HydrophobicContact CZ2-CG2 4.19Å; V268-S330 WeakPolarHBondContact CB-OG 3.45Å; V268-S330 WeakPolarHBondContact O-CB 3.37Å; V268-S330 PolarHBondContact O-OG 3.07Å; V268-Y333 HydrophobicContact CG1-CD2 4.13Å; V268-Y333 HydrophobicContact CG1-CG 4.45Å; V268-Q334 HydrophobicContact CB-CG 4Å; V268-Q334 HydrophobicContact CG1-CG 4.42Å; V268-Q334 HydrophobicContact CG2-CG 3.44Å; V268-Q334 VanDerWaalsContact CG2-CG 3.44Å
269	P	93.6	Very high	93.3	Very high	49 Å²	49	35.6 Å²	35.6	32%	0.318	20%	0.197	S	C	.	.			trans	-70.6	134.3	-170.2	28.4	-36.8	0	0	0	111.3	W212 L214 D267	W212-P269 HydrophobicContact CE3-CG 4.33Å; W212-P269 HydrophobicContact CZ3-CG 4.19Å; W212-P269 WeakPolarHBondContact CZ3-O 3.36Å; L214-P269 HydrophobicContact CD1-CB 4.36Å; L214-P269 HydrophobicContact CD1-CG 3.95Å; L214-P269 HydrophobicContact CG-CG 3.99Å; D267-P269 VanDerWaalsContact O-CD 3.23Å; D267-P269 WeakPolarHBondContact O-CD 3.25Å
270	V	94.7	Very high	93.1	Very high	15 Å²	15	36.4 Å²	36.4	9%	0.091	21%	0.205	C	C	.	.			trans	-116.8	121.2	175.7	-178	0	0	0	0	108.5	V311 Q326 V329 Y333	V270-V311 HydrophobicContact CG1-CG2 3.94Å; V270-Q326 HydrophobicContact CB-CB 4.29Å; V270-Q326 HydrophobicContact CB-CG 4.33Å; V270-Q326 HydrophobicContact CG1-CG 4.3Å; V270-Q326 PolarHBondContact O-NE2 3.15Å; V270-V329 HydrophobicContact CB-CG1 4.49Å; V270-V329 HydrophobicContact CG1-CB 4.14Å; V270-V329 HydrophobicContact CG1-CG1 3.72Å; V270-V329 HydrophobicContact CG2-CB 4.25Å; V270-V329 HydrophobicContact CG2-CG1 3.91Å; V270-Y333 HydrophobicContact CG2-CD2 3.92Å; V270-Y333 HydrophobicContact CG2-CE2 3.89Å
271	S	94.3	Very high	92.9	Very high	56 Å²	56	34.9 Å²	34.9	39%	0.392	19%	0.191	S	C	.	.			trans	-77.9	147.9	174.1	-176.3	0	0	0	0	110.7	N273 D274	S271-N273 PolarHBondContact O-N 3.34Å; S271-N273 PolarHBondContact OG-N 3.31Å; S271-D274 WeakPolarHBondContact CB-OD2 3.32Å; S271-D274 PolarHBondContact N-OD2 3.16Å; S271-D274 WeakPolarHBondContact O-CB 3.3Å; S271-D274 PolarHBondContact O-N 2.85Å; S271-D274 VanDerWaalsContact O-N 3.1Å
272	K	94.2	Very high	92.3	Very high	87 Å²	87	35.1 Å²	35.1	38%	0.378	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-29.2	174.3	-65	-170.8	177.3	-173.7	0	113.1	V311 E312 V322	K272-V311 PolarHBondContact O-N 3.41Å; K272-E312 HydrophobicContact CB-CB 4.23Å; K272-E312 PolarHBondContact O-N 3.38Å; K272-V322 HydrophobicContact CD-CG1 4.02Å; K272-V322 HydrophobicContact CG-CG1 3.83Å
273	N	94.3	Very high	91.5	Very high	111 Å²	111	36.1 Å²	36.1	59%	0.594	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	4.6	-178.2	-60.8	-16.8	0	0	0	112.9	S271	S271-N273 PolarHBondContact O-N 3.34Å; S271-N273 PolarHBondContact OG-N 3.31Å
274	D	93.3	Very high	91.1	Very high	10 Å²	10	36.4 Å²	36.4	5%	0.053	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-73.3	140.4	179	-73.3	-24.3	0	0	0	111	S271 T310 V311 R340	S271-D274 WeakPolarHBondContact CB-OD2 3.32Å; S271-D274 PolarHBondContact N-OD2 3.16Å; S271-D274 WeakPolarHBondContact O-CB 3.3Å; S271-D274 PolarHBondContact O-N 2.85Å; S271-D274 VanDerWaalsContact O-N 3.1Å; D274-T310 WeakPolarHBondContact O-CA 3.36Å; D274-V311 PolarHBondContact O-N 3.41Å; D274-V311 VanDerWaalsContact O-N 3.08Å; D274-R340 IonicContact OD1-CZ 2.62Å; D274-R340 IonicContact OD1-NE 2.81Å; D274-R340 PolarHBondContact OD1-NE 2.93Å; D274-R340 IonicContact OD1-NH2 3.51Å; D274-R340 PolarHBondContact OD1-NH2 2.79Å; D274-R340 IonicContact OD2-NE 3.15Å
275	C	93.3	Very high	90.6	Very high	30 Å²	30	37.3 Å²	37.3	20%	0.203	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-99	125.7	167.3	-61.1	0	0	0	0	109.1	Q307 K341	C275-Q307 WeakPolarHBondContact CB-O 3.46Å; C275-K341 HydrophobicContact CB-CB 4.23Å; C275-K341 HydrophobicContact CB-CD 4.27Å; C275-K341 PolarHBondContact O-N 3.08Å
276	V	93.2	Very high	89.9	Confident	4 Å²	4	37.9 Å²	37.9	2%	0.024	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	139.6	-174	-173.2	0	0	0	0	109.5	I305 V311 V329 Y333 A338	V276-I305 HydrophobicContact CB-CD1 4.47Å; V276-I305 HydrophobicContact CB-CG2 4.11Å; V276-I305 HydrophobicContact CG1-CD1 3.99Å; V276-I305 HydrophobicContact CG1-CG2 4.31Å; V276-I305 WeakPolarHBondContact O-CG2 3.27Å; V276-V311 HydrophobicContact CG2-CG2 3.89Å; V276-V329 HydrophobicContact CG1-CG1 4.24Å; V276-V329 HydrophobicContact CG2-CG1 3.6Å; V276-V329 HydrophobicContact CG2-CG2 4.08Å; V276-Y333 HydrophobicContact CG1-CE1 4.19Å; V276-A338 HydrophobicContact CG1-CB 3.72Å
277	V	91.7	Very high	89.4	Confident	14 Å²	14	37.4 Å²	37.4	9%	0.085	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.9	174.7	-174.7	0	0	0	0	108.9	P279 Q307 A338 H339 K341	V277-P279 WeakPolarHBondContact O-CD 3.47Å; V277-Q307 HydrophobicContact CG1-CG 4.29Å; V277-Q307 HydrophobicContact CG2-CB 4.36Å; V277-Q307 HydrophobicContact CG2-CG 4.04Å; V277-A338 CarbonylContact O-C 3.46Å; V277-A338 VanDerWaalsContact O-CA 3.3Å; V277-A338 WeakPolarHBondContact O-CA 3.49Å; V277-H339 PolarHBondContact N-O 2.86Å; V277-H339 PolarHBondContact O-N 3.36Å; V277-H339 PolarHBondContact O-ND1 2.81Å; V277-K341 HydrophobicContact CG2-CB 3.85Å; V277-K341 HydrophobicContact CG2-CG 4.15Å
278	V	91.8	Very high	88.2	Confident	24 Å²	24	39.4 Å²	39.4	15%	0.145	22%	0.222	C	C	.	.			trans	-98.6	107.7	173.8	179.6	0	0	0	0	107.8	L281 F302 I305 V443	V278-L281 HydrophobicContact CG1-CD2 4.48Å; V278-F302 HydrophobicContact CG1-CE1 4.31Å; V278-F302 HydrophobicContact CG2-CD1 4.13Å; V278-F302 HydrophobicContact CG2-CE1 4.25Å; V278-I305 HydrophobicContact CG2-CB 4.36Å; V278-I305 HydrophobicContact CG2-CD1 3.88Å; V278-I305 HydrophobicContact CG2-CG2 4.02Å; V278-V443 HydrophobicContact CG1-CG1 4.22Å; V278-V443 HydrophobicContact CG1-CG2 3.96Å
279	P	90.3	Very high	86.9	Confident	39 Å²	39	42.1 Å²	42.1	25%	0.253	24%	0.239	S	C	.	.			trans	-71.5	177.6	172.4	33.1	-34.2	0	0	0	110.5	V277 L281 F337	V277-P279 WeakPolarHBondContact O-CD 3.47Å; P279-L281 PolarHBondContact O-N 3.39Å; P279-F337 WeakPolarHBondContact CD-O 3.15Å
280	T	89.2	Confident	85.5	Confident	44 Å²	44	45 Å²	45	27%	0.27	26%	0.256	S	S	.	.			trans	-61.1	128.7	169.6	46.4	0	0	0	0	109.9	D282 H436 L446	T280-D282 PolarHBondContact O-N 3.03Å; T280-H436 VanDerWaalsContact CG2-CD2 3.41Å; T280-H436 WeakPolarHBondContact CG2-CD2 3.36Å; T280-H436 WeakPolarHBondContact CG2-NE2 3.44Å; T280-L446 HydrophobicContact CG2-CD1 4.35Å
281	L	87.7	Confident	84.1	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.021	26%	0.261	C	S	.	.			trans	-70.4	120	179.2	-60.4	-177.2	0	0	0	109.2	V278 P279 F284 F337 C435 T439 E442 V443	V278-L281 HydrophobicContact CG1-CD2 4.48Å; P279-L281 PolarHBondContact O-N 3.39Å; L281-F284 HydrophobicContact CB-CB 4.1Å; L281-F284 HydrophobicContact CD1-CB 4.32Å; L281-F284 HydrophobicContact CD1-CD2 3.75Å; L281-F284 HydrophobicContact CD1-CE2 4.23Å; L281-F284 HydrophobicContact CD1-CG 4.04Å; L281-F337 HydrophobicContact CD2-CB 4.01Å; L281-F337 HydrophobicContact CD2-CD1 3.99Å; L281-F337 HydrophobicContact CD2-CG 4.12Å; L281-C435 WeakPolarHBondContact O-CB 3.29Å; L281-T439 HydrophobicContact CG-CG2 4.36Å; L281-T439 PolarHBondContact N-OG1 3.37Å; L281-E442 HydrophobicContact CD1-CB 4.24Å; L281-V443 HydrophobicContact CD1-CG2 3.64Å; L281-V443 HydrophobicContact CG-CG2 4.08Å
282	D	79.4	Confident	83.5	Confident	128 Å²	128	43.9 Å²	43.9	68%	0.684	25%	0.249	S	C	*	.	S	Bend	trans	-109.7	132.4	173.1	-167.1	13.4	0	0	0	109.6	T280 F284	T280-D282 PolarHBondContact O-N 3.03Å; D282-F284 VanDerWaalsContact C-N 3.26Å; D282-F284 PolarHBondContact O-N 3.08Å
283	G	74.8	Confident	83	Confident	40 Å²	40	44.1 Å²	44.1	41%	0.412	25%	0.249	S	C	.	.	S	Bend	trans	64.6	19	-179.5	0	0	0	0	0	116.2	V285	G283-V285 PolarHBondContact O-N 2.95Å
284	F	84.8	Confident	82.9	Confident	14 Å²	14	39.5 Å²	39.5	6%	0.061	22%	0.223	C	C	.	.			trans	-60.1	132.1	-179.7	-171.5	-90.8	0	0	0	112.3	N160 F161 L281 D282 M286 F337 V438 E442	N160-F284 HydrophobicContact CB-CE1 4.16Å; N160-F284 HydrophobicContact CB-CZ 4.08Å; F161-F284 HydrophobicContact CE1-CE2 4.42Å; L281-F284 HydrophobicContact CB-CB 4.1Å; L281-F284 HydrophobicContact CD1-CB 4.32Å; L281-F284 HydrophobicContact CD1-CD2 3.75Å; L281-F284 HydrophobicContact CD1-CE2 4.23Å; L281-F284 HydrophobicContact CD1-CG 4.04Å; D282-F284 VanDerWaalsContact C-N 3.26Å; D282-F284 PolarHBondContact O-N 3.08Å; F284-M286 HydrophobicContact CD1-CB 4.29Å; F284-M286 HydrophobicContact CE1-CB 4.5Å; F284-M286 PolarHBondContact O-N 3.49Å; F284-F337 HydrophobicContact CD2-CD1 4.34Å; F284-F337 HydrophobicContact CD2-CD2 4.31Å; F284-F337 AromaticContact CD2-CE1 3.74Å; F284-F337 HydrophobicContact CD2-CE1 3.74Å; F284-F337 AromaticContact CD2-CE2 3.69Å; F284-F337 HydrophobicContact CD2-CE2 3.69Å; F284-F337 AromaticContact CD2-CZ 3.37Å; F284-F337 HydrophobicContact CD2-CZ 3.37Å; F284-F337 HydrophobicContact CE2-CD2 4.07Å; F284-F337 HydrophobicContact CE2-CE1 4.39Å; F284-F337 AromaticContact CE2-CE2 3.48Å; F284-F337 HydrophobicContact CE2-CE2 3.48Å; F284-F337 VanDerWaalsContact CE2-CE2 3.48Å; F284-F337 AromaticContact CE2-CZ 3.67Å; F284-F337 HydrophobicContact CE2-CZ 3.67Å; F284-F337 HydrophobicContact CG-CZ 4.45Å; F284-V438 HydrophobicContact CB-CG1 4.16Å; F284-E442 HydrophobicContact CD1-CG 3.94Å; F284-E442 HydrophobicContact CE1-CB 4.24Å; F284-E442 HydrophobicContact CE1-CG 3.72Å; F284-E442 HydrophobicContact CZ-CG 4.47Å
285	V	83.8	Confident	82.7	Confident	20 Å²	20	39.2 Å²	39.2	12%	0.121	22%	0.221	C	C	.	.			trans	-88.5	104	-179.4	-172.8	0	0	0	0	109.5	Y155 A163 L167 G283	Y155-V285 HydrophobicContact CE1-CG1 3.94Å; A163-V285 HydrophobicContact CB-CB 4.14Å; A163-V285 HydrophobicContact CB-CG1 3.56Å; L167-V285 HydrophobicContact CB-CG2 4.3Å; L167-V285 HydrophobicContact CD2-CG2 3.63Å; G283-V285 PolarHBondContact O-N 2.95Å
286	M	80	Confident	82.6	Confident	22 Å²	22	41 Å²	41	11%	0.108	23%	0.231	C	C	.	.			trans	-102.6	108.3	179.7	-177.5	-168.6	-49.8	0	0	111.2	F284 V438 F441 E442	F284-M286 HydrophobicContact CD1-CB 4.29Å; F284-M286 HydrophobicContact CE1-CB 4.5Å; F284-M286 PolarHBondContact O-N 3.49Å; M286-V438 HydrophobicContact CE-CG1 4.04Å; M286-V438 HydrophobicContact CE-CG2 4.42Å; M286-F441 HydrophobicContact CE-CD1 3.74Å; M286-F441 HydrophobicContact CE-CE1 4.3Å; M286-F441 HydrophobicContact SD-CD1 3.97Å; M286-F441 HydrophobicContact SD-CE1 3.91Å; M286-E442 HydrophobicContact CE-CG 3.64Å; M286-E442 VanDerWaalsContact CE-OE1 3.24Å; M286-E442 WeakPolarHBondContact CE-OE1 3.39Å; M286-E442 VanDerWaalsContact CG-OE1 3.23Å; M286-E442 WeakPolarHBondContact CG-OE1 3.28Å; M286-E442 VanDerWaalsContact SD-OE1 3.33Å
287	N	83.6	Confident	82.5	Confident	4 Å²	4	41 Å²	41	2%	0.021	23%	0.231	C	C	.	.			trans	-100.4	173.3	170.4	-69.5	-18.7	0	0	0	111	Y155 L158 N160 R381	Y155-N287 PolarHBondContact O-ND2 3.18Å; L158-N287 VanDerWaalsContact O-CB 3.24Å; L158-N287 WeakPolarHBondContact O-CB 3.47Å; L158-N287 PolarHBondContact O-ND2 3.21Å; N160-N287 WeakPolarHBondContact OD1-CA 3.42Å; N160-N287 WeakPolarHBondContact OD1-CB 3.48Å; N160-N287 PolarHBondContact OD1-N 3.47Å; N160-N287 PolarHBondContact OD1-O 3.3Å; N287-R381 PolarHBondContact O-NH2 2.84Å; N287-R381 VanDerWaalsContact O-NH2 3.09Å
288	R	70.3	Confident	82.6	Confident	111 Å²	111	40.3 Å²	40.3	42%	0.419	23%	0.227	S	C	.	.	S	Bend	trans	-96.5	3.9	-170	-65.6	-178.4	176	-170	-7.4	113.9	T376 E380	R288-T376 PolarHBondContact NH2-O 2.74Å; R288-E380 IonicContact CZ-OE2 3.61Å; R288-E380 IonicContact NH1-OE2 3.36Å; R288-E380 PolarHBondContact NH1-OE2 3.36Å; R288-E380 IonicContact NH2-OE2 2.64Å; R288-E380 PolarHBondContact NH2-OE2 3.17Å
289	V	66.8	Low	82.6	Confident	59 Å²	59	41.9 Å²	41.9	36%	0.358	23%	0.231	S	C	.	.	S	Bend	trans	-105.7	133.2	-172.2	177.3	0	0	0	0	109.7	D156 G291	D156-V289 WeakPolarHBondContact O-CG2 3.25Å; V289-G291 PolarHBondContact O-N 3.09Å
290	T	63.7	Low	82.7	Confident	110 Å²	110	42.8 Å²	42.8	68%	0.675	23%	0.231	S	C	*	.			trans	-70.7	124.7	166.4	49.4	0	0	0	0	108.4	M385	T290-M385 HydrophobicContact CG2-CE 4.3Å
291	G	65.8	Low	83	Confident	20 Å²	20	40.7 Å²	40.7	21%	0.206	22%	0.218	C	C	.	.			trans	-72.7	-167.8	-177.9	0	0	0	0	0	114.2	V289	V289-G291 PolarHBondContact O-N 3.09Å
292	D	80.6	Confident	83.2	Confident	27 Å²	27	40.6 Å²	40.6	14%	0.144	22%	0.218	C	C	.	.			trans	-71.6	-174	178.2	61.2	37	0	0	0	113.1	M119 F294 E295 T296	M119-D292 VanDerWaalsContact CB-OD2 3.29Å; M119-D292 WeakPolarHBondContact CB-OD2 3.41Å; M119-D292 HydrophobicContact CE-CB 3.81Å; M119-D292 HydrophobicContact CG-CB 4.18Å; M119-D292 VanDerWaalsContact CG-OD2 3.24Å; M119-D292 WeakPolarHBondContact CG-OD2 3.44Å; M119-D292 HydrophobicContact SD-CB 4.47Å; D292-F294 PolarHBondContact O-N 3.07Å; D292-F294 WeakPolarHBondContact OD1-CA 3.31Å; D292-F294 WeakPolarHBondContact OD1-CB 3.32Å; D292-F294 PolarHBondContact OD1-N 2.7Å; D292-E295 PolarHBondContact O-N 3.16Å; D292-E295 PolarHBondContact OD1-N 3.27Å; D292-T296 PolarHBondContact O-N 2.94Å; D292-T296 PolarHBondContact O-OG1 2.81Å; D292-T296 VanDerWaalsContact O-OG1 3.04Å
293	Y	85.3	Confident	83.8	Confident	92 Å²	92	34.9 Å²	34.9	36%	0.361	19%	0.187	S	C	.	.	H	α-helix	trans	-53.7	-41.3	174.9	168	-101.4	0	0	0	112.3	N80 T296 V297 L324	N80-Y293 VanDerWaalsContact OD1-CD1 3.3Å; N80-Y293 WeakPolarHBondContact OD1-CD1 3.36Å; Y293-T296 PolarHBondContact O-N 2.64Å; Y293-V297 HydrophobicContact CD2-CG2 4.49Å; Y293-V297 HydrophobicContact CE1-CG2 4.05Å; Y293-V297 HydrophobicContact CE2-CG2 4.02Å; Y293-V297 WeakPolarHBondContact O-CG2 3.43Å; Y293-V297 PolarHBondContact O-N 2.69Å; Y293-L324 HydrophobicContact CE1-CD2 4.32Å
294	F	91	Very high	84.6	Confident	14 Å²	14	33 Å²	33	6%	0.061	17%	0.168	C	C	.	.	H	α-helix	trans	-74	-36.4	-176.5	-171.8	-119.3	0	0	0	111.8	L120 D292 V297 M298 L324 N327 A328 V331	L120-F294 HydrophobicContact CD2-CD1 4.23Å; L120-F294 HydrophobicContact CD2-CE1 3.95Å; D292-F294 PolarHBondContact O-N 3.07Å; D292-F294 WeakPolarHBondContact OD1-CA 3.31Å; D292-F294 WeakPolarHBondContact OD1-CB 3.32Å; D292-F294 PolarHBondContact OD1-N 2.7Å; F294-V297 CarbonylContact O-C 3.6Å; F294-V297 WeakPolarHBondContact O-CB 3.38Å; F294-V297 PolarHBondContact O-N 2.65Å; F294-M298 HydrophobicContact CD1-CE 3.69Å; F294-M298 HydrophobicContact CD1-CG 4.43Å; F294-M298 HydrophobicContact CD1-SD 4.16Å; F294-M298 HydrophobicContact CE1-CE 3.93Å; F294-M298 HydrophobicContact CE1-CG 4.16Å; F294-M298 HydrophobicContact CE1-SD 3.79Å; F294-M298 HydrophobicContact CG-CE 4.5Å; F294-M298 HydrophobicContact CZ-CG 4.29Å; F294-M298 HydrophobicContact CZ-SD 4.38Å; F294-M298 WeakPolarHBondContact O-CG 3.41Å; F294-M298 PolarHBondContact O-N 3.22Å; F294-L324 HydrophobicContact CD2-CD1 3.92Å; F294-L324 HydrophobicContact CE2-CD1 3.89Å; F294-N327 HydrophobicContact CE2-CB 4.36Å; F294-N327 HydrophobicContact CZ-CB 4.23Å; F294-N327 WeakPolarHBondContact CZ-ND2 3.48Å; F294-A328 HydrophobicContact CE2-CB 4.35Å; F294-A328 HydrophobicContact CZ-CB 4.26Å; F294-V331 HydrophobicContact CE1-CG2 4.27Å
295	E	90.7	Very high	85	Confident	3 Å²	3	32.9 Å²	32.9	1%	0.014	17%	0.168	C	C	.	.	H	α-helix	trans	-61.6	-43.3	170.6	179.7	148.8	169.5	0	0	112.3	P159 N160 F161 D292 V297 M298 Y299	P159-E295 WeakPolarHBondContact CB-OE2 3.49Å; N160-E295 WeakPolarHBondContact CB-OE1 3.49Å; N160-E295 PolarHBondContact N-OE1 2.68Å; N160-E295 PolarHBondContact N-OE2 3.27Å; F161-E295 HydrophobicContact CD2-CB 4.4Å; F161-E295 HydrophobicContact CD2-CG 3.72Å; F161-E295 HydrophobicContact CE2-CG 3.91Å; D292-E295 PolarHBondContact O-N 3.16Å; D292-E295 PolarHBondContact OD1-N 3.27Å; E295-V297 VanDerWaalsContact C-N 3.28Å; E295-V297 PolarHBondContact O-N 2.78Å; E295-M298 HydrophobicContact CB-CE 4.24Å; E295-M298 WeakPolarHBondContact O-CB 3.39Å; E295-M298 PolarHBondContact O-N 3.36Å; E295-M298 VanDerWaalsContact O-N 3.12Å; E295-Y299 HydrophobicContact CG-CD2 3.88Å; E295-Y299 HydrophobicContact CG-CE2 3.66Å; E295-Y299 VanDerWaalsContact O-CD2 3.29Å; E295-Y299 WeakPolarHBondContact O-CD2 3.49Å; E295-Y299 PolarHBondContact O-N 2.76Å
296	T	89.8	Confident	85.3	Confident	67 Å²	67	32.4 Å²	32.4	41%	0.411	16%	0.164	S	C	.	.	H	α-helix	trans	-58.9	-43.4	174	-56.4	0	0	0	0	110.8	D292 Y293 Y299 K300	D292-T296 PolarHBondContact O-N 2.94Å; D292-T296 PolarHBondContact O-OG1 2.81Å; D292-T296 VanDerWaalsContact O-OG1 3.04Å; Y293-T296 PolarHBondContact O-N 2.64Å; T296-Y299 PolarHBondContact O-N 2.98Å; T296-K300 WeakPolarHBondContact O-CG 3.23Å; T296-K300 PolarHBondContact O-N 3.4Å; T296-K300 VanDerWaalsContact O-N 3.1Å
297	V	91.9	Very high	85.6	Confident	4 Å²	4	33.5 Å²	33.5	2%	0.024	17%	0.169	C	C	.	.	H	α-helix	trans	-62.5	-43.1	174.4	169.9	0	0	0	0	111.7	Y293 F294 E295 Y299 K300 V301 L320 L324	Y293-V297 HydrophobicContact CD2-CG2 4.49Å; Y293-V297 HydrophobicContact CE1-CG2 4.05Å; Y293-V297 HydrophobicContact CE2-CG2 4.02Å; Y293-V297 WeakPolarHBondContact O-CG2 3.43Å; Y293-V297 PolarHBondContact O-N 2.69Å; F294-V297 CarbonylContact O-C 3.6Å; F294-V297 WeakPolarHBondContact O-CB 3.38Å; F294-V297 PolarHBondContact O-N 2.65Å; E295-V297 VanDerWaalsContact C-N 3.28Å; E295-V297 PolarHBondContact O-N 2.78Å; V297-Y299 VanDerWaalsContact C-N 3.32Å; V297-Y299 PolarHBondContact O-N 3.4Å; V297-K300 WeakPolarHBondContact O-CB 3.1Å; V297-K300 PolarHBondContact O-N 3.04Å; V297-K300 VanDerWaalsContact O-N 3.16Å; V297-V301 HydrophobicContact CG1-CG2 4.33Å; V297-V301 WeakPolarHBondContact O-CG2 3.47Å; V297-V301 PolarHBondContact O-N 3.42Å; V297-L320 HydrophobicContact CG1-CD1 3.97Å; V297-L324 HydrophobicContact CG1-CD2 3.92Å; V297-L324 HydrophobicContact CG1-CG 4.02Å; V297-L324 HydrophobicContact CG2-CD2 4.11Å
298	M	93.7	Very high	85.9	Confident	1 Å²	1	38 Å²	38	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-58.6	-42.8	177	-76.8	-171.2	-72.6	0	0	111.5	L120 F161 F294 E295 V301 F302 A328 V331 F332	L120-M298 HydrophobicContact CD2-CE 4.25Å; F161-M298 HydrophobicContact CB-CE 3.65Å; F161-M298 HydrophobicContact CB-SD 4.29Å; F161-M298 HydrophobicContact CD1-CE 4.24Å; F161-M298 HydrophobicContact CD1-SD 3.97Å; F161-M298 HydrophobicContact CD2-CB 4.35Å; F161-M298 HydrophobicContact CD2-CE 3.38Å; F161-M298 HydrophobicContact CD2-SD 4.05Å; F161-M298 HydrophobicContact CE1-CB 4.49Å; F161-M298 HydrophobicContact CE1-SD 4.28Å; F161-M298 HydrophobicContact CE2-CB 3.77Å; F161-M298 HydrophobicContact CE2-CE 4.02Å; F161-M298 HydrophobicContact CE2-SD 4.34Å; F161-M298 HydrophobicContact CG-CE 3.48Å; F161-M298 VanDerWaalsContact CG-CE 3.48Å; F161-M298 HydrophobicContact CG-SD 3.83Å; F161-M298 HydrophobicContact CZ-CB 3.84Å; F161-M298 HydrophobicContact CZ-SD 4.44Å; F294-M298 HydrophobicContact CD1-CE 3.69Å; F294-M298 HydrophobicContact CD1-CG 4.43Å; F294-M298 HydrophobicContact CD1-SD 4.16Å; F294-M298 HydrophobicContact CE1-CE 3.93Å; F294-M298 HydrophobicContact CE1-CG 4.16Å; F294-M298 HydrophobicContact CE1-SD 3.79Å; F294-M298 HydrophobicContact CG-CE 4.5Å; F294-M298 HydrophobicContact CZ-CG 4.29Å; F294-M298 HydrophobicContact CZ-SD 4.38Å; F294-M298 WeakPolarHBondContact O-CG 3.41Å; F294-M298 PolarHBondContact O-N 3.22Å; E295-M298 HydrophobicContact CB-CE 4.24Å; E295-M298 WeakPolarHBondContact O-CB 3.39Å; E295-M298 PolarHBondContact O-N 3.36Å; E295-M298 VanDerWaalsContact O-N 3.12Å; M298-V301 PolarHBondContact O-N 3.09Å; M298-F302 PolarHBondContact O-N 2.96Å; M298-A328 HydrophobicContact CG-CB 3.97Å; M298-V331 HydrophobicContact SD-CG1 4.03Å; M298-F332 HydrophobicContact CB-CE1 3.85Å; M298-F332 HydrophobicContact CB-CZ 3.76Å; M298-F332 HydrophobicContact CG-CE1 3.87Å; M298-F332 HydrophobicContact CG-CZ 4.01Å; M298-F332 WeakPolarHBondContact O-CZ 3.11Å; M298-F332 HydrophobicContact SD-CE1 3.89Å
299	Y	92.2	Very high	86.9	Confident	57 Å²	57	33.2 Å²	33.2	22%	0.224	18%	0.176	C	C	.	.	H	α-helix	trans	-64.2	-40.3	174.6	-80.2	-66.5	0	0	0	113.4	N160 F161 E295 T296 V297 V301 F302 V303 E442	N160-Y299 PolarHBondContact ND2-OH 3.25Å; F161-Y299 HydrophobicContact CE2-CD2 4.1Å; F161-Y299 HydrophobicContact CE2-CE1 4.5Å; F161-Y299 AromaticContact CE2-CE2 3.74Å; F161-Y299 HydrophobicContact CE2-CE2 3.74Å; F161-Y299 AromaticContact CE2-CZ 3.96Å; E295-Y299 HydrophobicContact CG-CD2 3.88Å; E295-Y299 HydrophobicContact CG-CE2 3.66Å; E295-Y299 VanDerWaalsContact O-CD2 3.29Å; E295-Y299 WeakPolarHBondContact O-CD2 3.49Å; E295-Y299 PolarHBondContact O-N 2.76Å; T296-Y299 PolarHBondContact O-N 2.98Å; V297-Y299 VanDerWaalsContact C-N 3.32Å; V297-Y299 PolarHBondContact O-N 3.4Å; Y299-V301 VanDerWaalsContact C-N 3.3Å; Y299-V301 PolarHBondContact O-N 2.71Å; Y299-F302 HydrophobicContact CD1-CD2 4.4Å; Y299-F302 PolarHBondContact O-N 3.19Å; Y299-V303 PolarHBondContact O-N 2.77Å; Y299-V303 VanDerWaalsContact O-N 3.15Å; Y299-E442 WeakPolarHBondContact CD1-O 3.45Å; Y299-E442 WeakPolarHBondContact CE1-O 3.34Å; Y299-E442 WeakPolarHBondContact CE1-OE2 3.39Å; Y299-E442 PolarHBondContact OH-OE2 3.13Å
300	K	92.6	Very high	88.2	Confident	58 Å²	58	31.6 Å²	31.6	25%	0.252	17%	0.167	S	C	.	.	H	α-helix	trans	-60.1	-40.5	173.8	-67.6	-175.6	176.9	-173.6	0	111.9	T296 V297 V303 S304 G502 L503	T296-K300 WeakPolarHBondContact O-CG 3.23Å; T296-K300 PolarHBondContact O-N 3.4Å; T296-K300 VanDerWaalsContact O-N 3.1Å; V297-K300 WeakPolarHBondContact O-CB 3.1Å; V297-K300 PolarHBondContact O-N 3.04Å; V297-K300 VanDerWaalsContact O-N 3.16Å; K300-V303 WeakPolarHBondContact O-CG1 3.35Å; K300-S304 VanDerWaalsContact O-CB 3.25Å; K300-S304 WeakPolarHBondContact O-CB 3.33Å; K300-S304 PolarHBondContact O-N 3.37Å; K300-S304 PolarHBondContact O-OG 2.84Å; K300-G502 WeakPolarHBondContact CE-O 3.43Å; K300-L503 HydrophobicContact CB-CD2 3.73Å; K300-L503 HydrophobicContact CD-CD2 4.38Å; K300-L503 HydrophobicContact CG-CD2 3.82Å
301	V	94.9	Very high	89.7	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-67	-46.4	175.1	176.2	0	0	0	0	110.2	V297 M298 Y299 V303 S304 I305 L314 L318 V325 A328 V329 F332	V297-V301 HydrophobicContact CG1-CG2 4.33Å; V297-V301 WeakPolarHBondContact O-CG2 3.47Å; V297-V301 PolarHBondContact O-N 3.42Å; M298-V301 PolarHBondContact O-N 3.09Å; Y299-V301 VanDerWaalsContact C-N 3.3Å; Y299-V301 PolarHBondContact O-N 2.71Å; V301-V303 PolarHBondContact O-N 3.25Å; V301-S304 CarbonylContact O-C 3.59Å; V301-S304 PolarHBondContact O-N 3.14Å; V301-S304 VanDerWaalsContact O-N 3.1Å; V301-I305 HydrophobicContact CG1-CD1 3.91Å; V301-I305 HydrophobicContact CG1-CG1 4.09Å; V301-I305 WeakPolarHBondContact O-CG1 3.44Å; V301-I305 PolarHBondContact O-N 3.49Å; V301-L314 HydrophobicContact CG1-CD2 3.99Å; V301-L318 HydrophobicContact CG2-CD1 4.05Å; V301-V325 HydrophobicContact CG1-CG1 4.28Å; V301-V325 HydrophobicContact CG2-CG1 4.23Å; V301-V325 HydrophobicContact CG2-CG2 4.44Å; V301-A328 HydrophobicContact CG2-CB 4.22Å; V301-V329 HydrophobicContact CG1-CG2 4.32Å; V301-F332 HydrophobicContact CB-CE2 4.27Å; V301-F332 HydrophobicContact CG1-CE2 3.81Å
302	F	92.6	Very high	91.1	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.009	15%	0.145	C	C	.	.	H	α-helix	trans	-55.3	-51.5	-178.8	-101.4	-23.9	0	0	0	113.5	F161 V278 M298 Y299 S304 F332 F337 V443	F161-F302 HydrophobicContact CE1-CD2 4.28Å; F161-F302 AromaticContact CE1-CE2 3.44Å; F161-F302 HydrophobicContact CE1-CE2 3.44Å; F161-F302 VanDerWaalsContact CE1-CE2 3.44Å; F161-F302 AromaticContact CE1-CZ 3.93Å; F161-F302 HydrophobicContact CE1-CZ 3.93Å; F161-F302 AromaticContact CZ-CD2 3.82Å; F161-F302 HydrophobicContact CZ-CD2 3.82Å; F161-F302 AromaticContact CZ-CE2 3.4Å; F161-F302 HydrophobicContact CZ-CE2 3.4Å; F161-F302 VanDerWaalsContact CZ-CE2 3.4Å; F161-F302 HydrophobicContact CZ-CZ 4.31Å; V278-F302 HydrophobicContact CG1-CE1 4.31Å; V278-F302 HydrophobicContact CG2-CD1 4.13Å; V278-F302 HydrophobicContact CG2-CE1 4.25Å; M298-F302 PolarHBondContact O-N 2.96Å; Y299-F302 HydrophobicContact CD1-CD2 4.4Å; Y299-F302 PolarHBondContact O-N 3.19Å; F302-S304 PolarHBondContact O-N 2.94Å; F302-F332 HydrophobicContact CD1-CD2 4.14Å; F302-F332 HydrophobicContact CD1-CE1 4.33Å; F302-F332 AromaticContact CD1-CE2 3.67Å; F302-F332 HydrophobicContact CD1-CE2 3.67Å; F302-F332 AromaticContact CD1-CZ 3.77Å; F302-F332 HydrophobicContact CD1-CZ 3.77Å; F302-F332 HydrophobicContact CD2-CE1 4.41Å; F302-F332 HydrophobicContact CD2-CZ 4.16Å; F302-F332 HydrophobicContact CE1-CD1 4Å; F302-F332 AromaticContact CE1-CD2 3.9Å; F302-F332 HydrophobicContact CE1-CD2 3.9Å; F302-F332 AromaticContact CE1-CE1 3.94Å; F302-F332 HydrophobicContact CE1-CE1 3.94Å; F302-F332 AromaticContact CE1-CE2 3.82Å; F302-F332 HydrophobicContact CE1-CE2 3.82Å; F302-F332 AromaticContact CE1-CG 3.99Å; F302-F332 HydrophobicContact CE1-CG 3.99Å; F302-F332 AromaticContact CE1-CZ 3.84Å; F302-F332 HydrophobicContact CE1-CZ 3.84Å; F302-F332 HydrophobicContact CE2-CE1 4.07Å; F302-F332 HydrophobicContact CE2-CZ 4.25Å; F302-F332 HydrophobicContact CG-CE2 4.19Å; F302-F332 AromaticContact CG-CZ 3.92Å; F302-F332 HydrophobicContact CG-CZ 3.92Å; F302-F332 AromaticContact CZ-CD1 3.94Å; F302-F332 HydrophobicContact CZ-CD1 3.94Å; F302-F332 AromaticContact CZ-CE1 3.79Å; F302-F332 HydrophobicContact CZ-CE1 3.79Å; F302-F332 HydrophobicContact CZ-CE2 4.49Å; F302-F332 HydrophobicContact CZ-CG 4.37Å; F302-F332 HydrophobicContact CZ-CZ 4.08Å; F302-F337 HydrophobicContact CE1-CB 4.3Å; F302-F337 HydrophobicContact CZ-CB 3.96Å; F302-F337 HydrophobicContact CZ-CD2 4.1Å; F302-F337 HydrophobicContact CZ-CG 4.37Å; F302-V443 HydrophobicContact CB-CG1 4.13Å; F302-V443 HydrophobicContact CD1-CG1 4.39Å; F302-V443 HydrophobicContact CD1-CG2 4.49Å; F302-V443 HydrophobicContact CG-CG1 4.34Å; F302-V443 HydrophobicContact CG-CG2 4.47Å
303	V	90.6	Very high	91.8	Very high	7 Å²	7	32.4 Å²	32.4	4%	0.042	16%	0.157	C	C	.	.	H	α-helix	trans	-65.9	-25.9	-179.2	67.5	0	0	0	0	112.3	Y299 K300 V301 V443 S499 L500 L503	Y299-V303 PolarHBondContact O-N 2.77Å; Y299-V303 VanDerWaalsContact O-N 3.15Å; K300-V303 WeakPolarHBondContact O-CG1 3.35Å; V301-V303 PolarHBondContact O-N 3.25Å; V303-V443 WeakPolarHBondContact CA-O 3.39Å; V303-S499 WeakPolarHBondContact CG2-OG 3.48Å; V303-L500 HydrophobicContact CG2-CD2 4.15Å; V303-L503 HydrophobicContact CG1-CD1 3.84Å; V303-L503 HydrophobicContact CG1-CD2 4.12Å; V303-L503 HydrophobicContact CG1-CG 3.99Å
304	S	92.6	Very high	92.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-95.6	-14.3	-173.1	-58.5	0	0	0	0	114	K300 V301 F302 D306 L314 L318	K300-S304 VanDerWaalsContact O-CB 3.25Å; K300-S304 WeakPolarHBondContact O-CB 3.33Å; K300-S304 PolarHBondContact O-N 3.37Å; K300-S304 PolarHBondContact O-OG 2.84Å; V301-S304 CarbonylContact O-C 3.59Å; V301-S304 PolarHBondContact O-N 3.14Å; V301-S304 VanDerWaalsContact O-N 3.1Å; F302-S304 PolarHBondContact O-N 2.94Å; S304-D306 PolarHBondContact O-N 3.26Å; S304-L314 VanDerWaalsContact CB-CD1 3.44Å; S304-L314 WeakPolarHBondContact O-CD1 3.23Å; S304-L318 WeakPolarHBondContact OG-CD2 3.49Å
305	I	92.5	Very high	92.5	Very high	13 Å²	13	27.7 Å²	27.7	7%	0.067	14%	0.138	C	C	.	.			trans	-59	134	175.9	-76.9	162.8	0	0	0	109.8	V276 V278 V301 L314 F332 K445	V276-I305 HydrophobicContact CB-CD1 4.47Å; V276-I305 HydrophobicContact CB-CG2 4.11Å; V276-I305 HydrophobicContact CG1-CD1 3.99Å; V276-I305 HydrophobicContact CG1-CG2 4.31Å; V276-I305 WeakPolarHBondContact O-CG2 3.27Å; V278-I305 HydrophobicContact CG2-CB 4.36Å; V278-I305 HydrophobicContact CG2-CD1 3.88Å; V278-I305 HydrophobicContact CG2-CG2 4.02Å; V301-I305 HydrophobicContact CG1-CD1 3.91Å; V301-I305 HydrophobicContact CG1-CG1 4.09Å; V301-I305 WeakPolarHBondContact O-CG1 3.44Å; V301-I305 PolarHBondContact O-N 3.49Å; I305-L314 HydrophobicContact CG1-CD2 3.83Å; I305-F332 HydrophobicContact CD1-CD2 4.17Å; I305-F332 HydrophobicContact CD1-CE2 4.11Å; I305-K445 PolarHBondContact O-NZ 3.26Å; I305-K445 VanDerWaalsContact O-NZ 3.16Å
306	D	89.9	Confident	92.7	Very high	9 Å²	9	34.4 Å²	34.4	5%	0.048	17%	0.169	C	C	.	.			trans	-138.1	142.6	171.3	-173.7	79.8	0	0	0	109.6	S304 N308 T309 K411 K445	S304-D306 PolarHBondContact O-N 3.26Å; D306-N308 PolarHBondContact O-N 2.99Å; D306-N308 WeakPolarHBondContact OD2-CB 3.39Å; D306-N308 PolarHBondContact OD2-N 3.1Å; D306-T309 PolarHBondContact O-N 3.37Å; D306-K411 IonicContact OD1-NZ 3.88Å; D306-K411 PolarHBondContact OD1-NZ 3.27Å; D306-K411 IonicContact OD2-NZ 3.27Å; D306-K445 IonicContact OD1-NZ 3.12Å; D306-K445 PolarHBondContact OD1-NZ 3.39Å
307	Q	87	Confident	92.8	Very high	46 Å²	46	31.7 Å²	31.7	22%	0.215	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-13.7	-175.4	-52.3	-174.9	1	0	0	113.6	C275 V277 K341	C275-Q307 WeakPolarHBondContact CB-O 3.46Å; V277-Q307 HydrophobicContact CG1-CG 4.29Å; V277-Q307 HydrophobicContact CG2-CB 4.36Å; V277-Q307 HydrophobicContact CG2-CG 4.04Å; Q307-K341 VanDerWaalsContact O-CD 3.32Å; Q307-K341 WeakPolarHBondContact O-CD 3.49Å; Q307-K341 PolarHBondContact O-NZ 3.07Å
308	N	88.5	Confident	92.8	Very high	97 Å²	97	32 Å²	32	52%	0.519	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	3.8	179.6	-57.8	-28	0	0	0	112.6	D306 K341	D306-N308 PolarHBondContact O-N 2.99Å; D306-N308 WeakPolarHBondContact OD2-CB 3.39Å; D306-N308 PolarHBondContact OD2-N 3.1Å; N308-K341 PolarHBondContact OD1-NZ 3.42Å
309	T	91.3	Very high	92.7	Very high	11 Å²	11	38.6 Å²	38.6	7%	0.067	19%	0.185	C	C	.	.			trans	-104.3	127.6	176.4	-69.7	0	0	0	0	109.6	D306 E313 L314 K514	D306-T309 PolarHBondContact O-N 3.37Å; T309-E313 HydrophobicContact CG2-CB 3.87Å; T309-L314 HydrophobicContact CG2-CB 3.96Å; T309-K514 PolarHBondContact OG1-NZ 3.3Å
310	T	94.8	Very high	92.7	Very high	25 Å²	25	37.6 Å²	37.6	15%	0.153	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-74	159.2	174.8	62.5	0	0	0	0	111.2	D274 E312 E313 L314	D274-T310 WeakPolarHBondContact O-CA 3.36Å; T310-E312 PolarHBondContact O-N 2.97Å; T310-E313 PolarHBondContact O-N 3.12Å; T310-E313 WeakPolarHBondContact OG1-CB 3.45Å; T310-E313 VanDerWaalsContact OG1-CG 3.28Å; T310-E313 WeakPolarHBondContact OG1-CG 3.39Å; T310-E313 PolarHBondContact OG1-N 3.22Å; T310-L314 WeakPolarHBondContact O-CB 3.49Å; T310-L314 PolarHBondContact O-N 3.47Å
311	V	95.8	Very high	92.6	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-57.4	-37.3	176.1	172.9	0	0	0	0	112.3	V270 K272 D274 V276 L314 A315 V325 Q326 V329	V270-V311 HydrophobicContact CG1-CG2 3.94Å; K272-V311 PolarHBondContact O-N 3.41Å; D274-V311 PolarHBondContact O-N 3.41Å; D274-V311 VanDerWaalsContact O-N 3.08Å; V276-V311 HydrophobicContact CG2-CG2 3.89Å; V311-L314 PolarHBondContact O-N 3.48Å; V311-A315 WeakPolarHBondContact O-CB 3.49Å; V311-A315 PolarHBondContact O-N 3.39Å; V311-V325 HydrophobicContact CG1-CB 4.29Å; V311-V325 HydrophobicContact CG1-CG1 3.91Å; V311-Q326 HydrophobicContact CG1-CG 3.77Å; V311-V329 HydrophobicContact CG2-CG2 4.4Å
312	E	95.8	Very high	92.5	Very high	90 Å²	90	40.6 Å²	40.6	42%	0.421	20%	0.203	S	C	.	.	H	α-helix	trans	-66.6	-46.4	176.7	-174.8	164.8	-111.4	0	0	112.5	K272 T310 L314 A315 H316	K272-E312 HydrophobicContact CB-CB 4.23Å; K272-E312 PolarHBondContact O-N 3.38Å; T310-E312 PolarHBondContact O-N 2.97Å; E312-L314 VanDerWaalsContact C-N 3.29Å; E312-L314 PolarHBondContact O-N 2.83Å; E312-A315 PolarHBondContact O-N 2.93Å; E312-H316 PolarHBondContact O-N 2.87Å
313	E	94.9	Very high	92.5	Very high	84 Å²	84	45.1 Å²	45.1	39%	0.393	23%	0.227	S	C	.	.	H	α-helix	trans	-63.1	-38.4	175	-74.1	171.2	-152.5	0	0	111.9	T309 T310 A315 H316 V317 K514	T309-E313 HydrophobicContact CG2-CB 3.87Å; T310-E313 PolarHBondContact O-N 3.12Å; T310-E313 WeakPolarHBondContact OG1-CB 3.45Å; T310-E313 VanDerWaalsContact OG1-CG 3.28Å; T310-E313 WeakPolarHBondContact OG1-CG 3.39Å; T310-E313 PolarHBondContact OG1-N 3.22Å; E313-A315 VanDerWaalsContact C-N 3.34Å; E313-H316 PolarHBondContact O-N 2.81Å; E313-V317 WeakPolarHBondContact O-CG2 3.44Å; E313-V317 PolarHBondContact O-N 2.91Å; E313-K514 IonicContact OE2-NZ 2.76Å; E313-K514 PolarHBondContact OE2-NZ 3.06Å
314	L	94.4	Very high	92.6	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.026	23%	0.234	C	C	.	.	H	α-helix	trans	-60.9	-45.3	176.3	-179.2	57	0	0	0	111.1	V301 S304 I305 T309 T310 V311 E312 H316 V317 L318 V325	V301-L314 HydrophobicContact CG1-CD2 3.99Å; S304-L314 VanDerWaalsContact CB-CD1 3.44Å; S304-L314 WeakPolarHBondContact O-CD1 3.23Å; I305-L314 HydrophobicContact CG1-CD2 3.83Å; T309-L314 HydrophobicContact CG2-CB 3.96Å; T310-L314 WeakPolarHBondContact O-CB 3.49Å; T310-L314 PolarHBondContact O-N 3.47Å; V311-L314 PolarHBondContact O-N 3.48Å; E312-L314 VanDerWaalsContact C-N 3.29Å; E312-L314 PolarHBondContact O-N 2.83Å; L314-H316 VanDerWaalsContact C-N 3.31Å; L314-H316 PolarHBondContact O-N 3.47Å; L314-V317 PolarHBondContact O-N 3.12Å; L314-L318 HydrophobicContact CD1-CD1 4Å; L314-L318 HydrophobicContact CD1-CG 4.33Å; L314-L318 HydrophobicContact CG-CD1 4.25Å; L314-L318 WeakPolarHBondContact O-CB 3.34Å; L314-L318 WeakPolarHBondContact O-CG 3.46Å; L314-L318 PolarHBondContact O-N 2.87Å; L314-V325 HydrophobicContact CD2-CG1 3.94Å; L314-V325 HydrophobicContact CG-CG1 4.2Å
315	A	95.1	Very high	92.8	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-39.9	175.3	0	0	0	0	0	112	V311 E312 E313 L318 Q319 L320 V322 V325	V311-A315 WeakPolarHBondContact O-CB 3.49Å; V311-A315 PolarHBondContact O-N 3.39Å; E312-A315 PolarHBondContact O-N 2.93Å; E313-A315 VanDerWaalsContact C-N 3.34Å; A315-L318 CarbonylContact O-C 3.56Å; A315-L318 PolarHBondContact O-N 2.77Å; A315-Q319 WeakPolarHBondContact O-CA 3.29Å; A315-Q319 PolarHBondContact O-N 3.1Å; A315-L320 PolarHBondContact O-N 3.44Å; A315-V322 HydrophobicContact CB-CB 4.25Å; A315-V322 HydrophobicContact CB-CG2 3.78Å; A315-V325 HydrophobicContact CB-CB 4.34Å; A315-V325 HydrophobicContact CB-CG2 3.78Å
316	H	95	Very high	93	Very high	144 Å²	144	47.5 Å²	47.5	67%	0.667	24%	0.239	S	C	*	.	H	α-helix	trans	-65.3	-43.6	175	-177.1	-89.1	0	0	0	112.5	E312 E313 L314 L318 Q319	E312-H316 PolarHBondContact O-N 2.87Å; E313-H316 PolarHBondContact O-N 2.81Å; L314-H316 VanDerWaalsContact C-N 3.31Å; L314-H316 PolarHBondContact O-N 3.47Å; H316-L318 VanDerWaalsContact C-N 3.3Å; H316-L318 PolarHBondContact O-N 2.77Å; H316-Q319 PolarHBondContact O-N 3.21Å
317	V	92.3	Very high	93.2	Very high	11 Å²	11	47.8 Å²	47.8	7%	0.067	24%	0.24	C	C	.	.	H	α-helix	trans	-60.8	-41.1	176.4	170.4	0	0	0	0	110.9	E313 L314 R510 L511 K514	E313-V317 WeakPolarHBondContact O-CG2 3.44Å; E313-V317 PolarHBondContact O-N 2.91Å; L314-V317 PolarHBondContact O-N 3.12Å; V317-R510 HydrophobicContact CG1-CB 4.22Å; V317-R510 PolarHBondContact O-NE 3.31Å; V317-R510 PolarHBondContact O-NH2 3.21Å; V317-L511 HydrophobicContact CG1-CB 3.98Å; V317-L511 HydrophobicContact CG1-CD1 4.35Å; V317-K514 HydrophobicContact CG2-CD 3.86Å
318	L	92.5	Very high	93.6	Very high	10 Å²	10	45.6 Å²	45.6	5%	0.052	23%	0.23	C	C	.	.	H	α-helix	trans	-84.5	-7.9	179.8	-67.6	177.8	0	0	0	114.3	V301 S304 L314 A315 H316 L320 L503 A507	V301-L318 HydrophobicContact CG2-CD1 4.05Å; S304-L318 WeakPolarHBondContact OG-CD2 3.49Å; L314-L318 HydrophobicContact CD1-CD1 4Å; L314-L318 HydrophobicContact CD1-CG 4.33Å; L314-L318 HydrophobicContact CG-CD1 4.25Å; L314-L318 WeakPolarHBondContact O-CB 3.34Å; L314-L318 WeakPolarHBondContact O-CG 3.46Å; L314-L318 PolarHBondContact O-N 2.87Å; A315-L318 CarbonylContact O-C 3.56Å; A315-L318 PolarHBondContact O-N 2.77Å; H316-L318 VanDerWaalsContact C-N 3.3Å; H316-L318 PolarHBondContact O-N 2.77Å; L318-L320 HydrophobicContact CB-CB 4.4Å; L318-L320 HydrophobicContact CB-CD1 3.88Å; L318-L320 HydrophobicContact CB-CG 3.86Å; L318-L320 HydrophobicContact CD1-CD1 4.08Å; L318-L320 PolarHBondContact O-N 3.32Å; L318-L503 HydrophobicContact CD2-CD2 3.59Å; L318-A507 HydrophobicContact CD2-CB 4.47Å
319	Q	91.9	Very high	94	Very high	139 Å²	139	41 Å²	41	65%	0.65	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	39.9	-170.7	-67.8	178.2	-6.1	0	0	113.1	A315 H316 R510	A315-Q319 WeakPolarHBondContact O-CA 3.29Å; A315-Q319 PolarHBondContact O-N 3.1Å; H316-Q319 PolarHBondContact O-N 3.21Å; Q319-R510 VanDerWaalsContact NE2-NH1 3.17Å
320	L	91.1	Very high	94.3	Very high	37 Å²	37	41 Å²	41	19%	0.194	21%	0.206	C	C	.	.			trans	-105.6	158	176.4	-64.3	177.3	0	0	0	110.7	V297 A315 L318 V322 L324 V325	V297-L320 HydrophobicContact CG1-CD1 3.97Å; A315-L320 PolarHBondContact O-N 3.44Å; L318-L320 HydrophobicContact CB-CB 4.4Å; L318-L320 HydrophobicContact CB-CD1 3.88Å; L318-L320 HydrophobicContact CB-CG 3.86Å; L318-L320 HydrophobicContact CD1-CD1 4.08Å; L318-L320 PolarHBondContact O-N 3.32Å; L320-V322 PolarHBondContact O-N 3Å; L320-L324 HydrophobicContact CD2-CD2 4.47Å; L320-V325 HydrophobicContact CB-CG2 4Å; L320-V325 HydrophobicContact CD1-CG2 4.38Å
321	D	90.9	Very high	94.3	Very high	91 Å²	91	39.8 Å²	39.8	49%	0.487	20%	0.199	S	C	.	.			trans	-61.7	130.1	169.7	-170.8	-38	0	0	0	109.1	N323 L324 V325	D321-N323 PolarHBondContact O-N 3.37Å; D321-N323 VanDerWaalsContact O-N 3.16Å; D321-N323 WeakPolarHBondContact OD1-CB 3.31Å; D321-N323 PolarHBondContact OD1-N 3.48Å; D321-N323 PolarHBondContact OD1-ND2 3.12Å; D321-L324 HydrophobicContact CB-CB 4.25Å; D321-L324 WeakPolarHBondContact O-CB 3.36Å; D321-L324 PolarHBondContact O-N 3.4Å; D321-V325 PolarHBondContact O-N 3.32Å
322	V	93.6	Very high	94.3	Very high	29 Å²	29	39.8 Å²	39.8	18%	0.176	20%	0.198	C	C	.	.	H	α-helix	trans	-54	-36.8	178.5	-177.3	0	0	0	0	111.2	K272 A315 L320 L324 V325 Q326	K272-V322 HydrophobicContact CD-CG1 4.02Å; K272-V322 HydrophobicContact CG-CG1 3.83Å; A315-V322 HydrophobicContact CB-CB 4.25Å; A315-V322 HydrophobicContact CB-CG2 3.78Å; L320-V322 PolarHBondContact O-N 3Å; V322-L324 VanDerWaalsContact C-N 3.29Å; V322-L324 PolarHBondContact O-N 3.25Å; V322-V325 PolarHBondContact O-N 3.45Å; V322-Q326 HydrophobicContact CG1-CG 4.34Å; V322-Q326 WeakPolarHBondContact O-CB 3.4Å; V322-Q326 VanDerWaalsContact O-CG 3.31Å; V322-Q326 WeakPolarHBondContact O-CG 3.47Å; V322-Q326 PolarHBondContact O-N 3.41Å
323	N	92.3	Very high	94.2	Very high	97 Å²	97	36.1 Å²	36.1	52%	0.519	18%	0.181	S	C	.	.	H	α-helix	trans	-66.2	-33.3	178.8	-56.4	-66.4	0	0	0	112	D321 N327	D321-N323 PolarHBondContact O-N 3.37Å; D321-N323 VanDerWaalsContact O-N 3.16Å; D321-N323 WeakPolarHBondContact OD1-CB 3.31Å; D321-N323 PolarHBondContact OD1-N 3.48Å; D321-N323 PolarHBondContact OD1-ND2 3.12Å; N323-N327 WeakPolarHBondContact O-CB 3.44Å; N323-N327 PolarHBondContact O-N 2.67Å
324	L	92.8	Very high	94.2	Very high	36 Å²	36	32.8 Å²	32.8	19%	0.188	17%	0.165	C	C	.	.	H	α-helix	trans	-69.9	-40.5	177.6	-172.9	67.3	0	0	0	110.8	Y293 F294 V297 L320 D321 V322 N327 A328	Y293-L324 HydrophobicContact CE1-CD2 4.32Å; F294-L324 HydrophobicContact CD2-CD1 3.92Å; F294-L324 HydrophobicContact CE2-CD1 3.89Å; V297-L324 HydrophobicContact CG1-CD2 3.92Å; V297-L324 HydrophobicContact CG1-CG 4.02Å; V297-L324 HydrophobicContact CG2-CD2 4.11Å; L320-L324 HydrophobicContact CD2-CD2 4.47Å; D321-L324 HydrophobicContact CB-CB 4.25Å; D321-L324 WeakPolarHBondContact O-CB 3.36Å; D321-L324 PolarHBondContact O-N 3.4Å; V322-L324 VanDerWaalsContact C-N 3.29Å; V322-L324 PolarHBondContact O-N 3.25Å; L324-N327 WeakPolarHBondContact O-CB 3.43Å; L324-N327 PolarHBondContact O-N 2.63Å; L324-A328 PolarHBondContact O-N 2.68Å
325	V	96.1	Very high	94.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67.5	-41.9	174.5	-175.2	0	0	0	0	110.8	V301 V311 L314 A315 L320 D321 V322 N327 A328 V329	V301-V325 HydrophobicContact CG1-CG1 4.28Å; V301-V325 HydrophobicContact CG2-CG1 4.23Å; V301-V325 HydrophobicContact CG2-CG2 4.44Å; V311-V325 HydrophobicContact CG1-CB 4.29Å; V311-V325 HydrophobicContact CG1-CG1 3.91Å; L314-V325 HydrophobicContact CD2-CG1 3.94Å; L314-V325 HydrophobicContact CG-CG1 4.2Å; A315-V325 HydrophobicContact CB-CB 4.34Å; A315-V325 HydrophobicContact CB-CG2 3.78Å; L320-V325 HydrophobicContact CB-CG2 4Å; L320-V325 HydrophobicContact CD1-CG2 4.38Å; D321-V325 PolarHBondContact O-N 3.32Å; V322-V325 PolarHBondContact O-N 3.45Å; V325-N327 VanDerWaalsContact C-N 3.28Å; V325-N327 PolarHBondContact O-N 2.84Å; V325-A328 PolarHBondContact O-N 3.25Å; V325-V329 HydrophobicContact CG1-CG2 4.35Å; V325-V329 WeakPolarHBondContact O-CB 3.23Å; V325-V329 VanDerWaalsContact O-CG2 3.29Å; V325-V329 WeakPolarHBondContact O-CG2 3.47Å; V325-V329 PolarHBondContact O-N 2.62Å
326	Q	96.3	Very high	93.9	Very high	35 Å²	35	36.1 Å²	36.1	16%	0.164	20%	0.196	C	C	.	.	H	α-helix	trans	-58.3	-41.2	173.2	-75.1	174.3	-62.1	0	0	111.6	V270 V311 V322 V329 S330	V270-Q326 HydrophobicContact CB-CB 4.29Å; V270-Q326 HydrophobicContact CB-CG 4.33Å; V270-Q326 HydrophobicContact CG1-CG 4.3Å; V270-Q326 PolarHBondContact O-NE2 3.15Å; V311-Q326 HydrophobicContact CG1-CG 3.77Å; V322-Q326 HydrophobicContact CG1-CG 4.34Å; V322-Q326 WeakPolarHBondContact O-CB 3.4Å; V322-Q326 VanDerWaalsContact O-CG 3.31Å; V322-Q326 WeakPolarHBondContact O-CG 3.47Å; V322-Q326 PolarHBondContact O-N 3.41Å; Q326-V329 PolarHBondContact O-N 2.94Å; Q326-S330 VanDerWaalsContact O-CB 3.25Å; Q326-S330 WeakPolarHBondContact O-CB 3.29Å; Q326-S330 PolarHBondContact O-N 3.42Å
327	N	95	Very high	93.8	Very high	15 Å²	15	30 Å²	30	8%	0.08	17%	0.167	C	C	.	.	H	α-helix	trans	-62.8	-48.9	175.7	-171	24.5	0	0	0	111.8	H124 F294 N323 L324 V325 V329 S330 V331	H124-N327 PolarHBondContact ND1-ND2 3.04Å; F294-N327 HydrophobicContact CE2-CB 4.36Å; F294-N327 HydrophobicContact CZ-CB 4.23Å; F294-N327 WeakPolarHBondContact CZ-ND2 3.48Å; N323-N327 WeakPolarHBondContact O-CB 3.44Å; N323-N327 PolarHBondContact O-N 2.67Å; L324-N327 WeakPolarHBondContact O-CB 3.43Å; L324-N327 PolarHBondContact O-N 2.63Å; V325-N327 VanDerWaalsContact C-N 3.28Å; V325-N327 PolarHBondContact O-N 2.84Å; N327-V329 VanDerWaalsContact C-N 3.34Å; N327-V329 PolarHBondContact O-N 3.31Å; N327-S330 WeakPolarHBondContact O-CB 3.24Å; N327-S330 PolarHBondContact O-N 2.76Å; N327-V331 WeakPolarHBondContact O-CG2 3.38Å; N327-V331 PolarHBondContact O-N 3Å
328	A	96.1	Very high	93.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.9	-45.9	176.8	0	0	0	0	0	111.9	F294 M298 V301 L324 V325 S330 V331 F332	F294-A328 HydrophobicContact CE2-CB 4.35Å; F294-A328 HydrophobicContact CZ-CB 4.26Å; M298-A328 HydrophobicContact CG-CB 3.97Å; V301-A328 HydrophobicContact CG2-CB 4.22Å; L324-A328 PolarHBondContact O-N 2.68Å; V325-A328 PolarHBondContact O-N 3.25Å; A328-S330 PolarHBondContact O-N 3.31Å; A328-V331 PolarHBondContact O-N 3.41Å; A328-F332 WeakPolarHBondContact O-CD1 3.43Å; A328-F332 WeakPolarHBondContact O-CD2 3.34Å; A328-F332 VanDerWaalsContact O-CG 3.23Å; A328-F332 WeakPolarHBondContact O-CG 3.3Å; A328-F332 PolarHBondContact O-N 3.42Å
329	V	97.2	Very high	93.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65	-38.7	176.9	173.7	0	0	0	0	111.7	V270 V276 V301 V311 V325 Q326 N327 V331 F332 Y333	V270-V329 HydrophobicContact CB-CG1 4.49Å; V270-V329 HydrophobicContact CG1-CB 4.14Å; V270-V329 HydrophobicContact CG1-CG1 3.72Å; V270-V329 HydrophobicContact CG2-CB 4.25Å; V270-V329 HydrophobicContact CG2-CG1 3.91Å; V276-V329 HydrophobicContact CG1-CG1 4.24Å; V276-V329 HydrophobicContact CG2-CG1 3.6Å; V276-V329 HydrophobicContact CG2-CG2 4.08Å; V301-V329 HydrophobicContact CG1-CG2 4.32Å; V311-V329 HydrophobicContact CG2-CG2 4.4Å; V325-V329 HydrophobicContact CG1-CG2 4.35Å; V325-V329 WeakPolarHBondContact O-CB 3.23Å; V325-V329 VanDerWaalsContact O-CG2 3.29Å; V325-V329 WeakPolarHBondContact O-CG2 3.47Å; V325-V329 PolarHBondContact O-N 2.62Å; Q326-V329 PolarHBondContact O-N 2.94Å; N327-V329 VanDerWaalsContact C-N 3.34Å; N327-V329 PolarHBondContact O-N 3.31Å; V329-V331 VanDerWaalsContact C-N 3.33Å; V329-V331 PolarHBondContact O-N 3.16Å; V329-F332 PolarHBondContact O-N 3.4Å; V329-Y333 HydrophobicContact CG1-CD2 4.16Å; V329-Y333 HydrophobicContact CG1-CE1 4.23Å; V329-Y333 HydrophobicContact CG1-CE2 3.71Å; V329-Y333 PolarHBondContact O-N 2.95Å
330	S	96	Very high	93.8	Very high	10 Å²	10	29.4 Å²	29.4	7%	0.07	16%	0.161	C	C	.	.	H	α-helix	trans	-60.2	-44.7	175.6	-176.6	0	0	0	0	110.9	V268 Q326 N327 A328 Y333 Q334	V268-S330 WeakPolarHBondContact CB-OG 3.45Å; V268-S330 WeakPolarHBondContact O-CB 3.37Å; V268-S330 PolarHBondContact O-OG 3.07Å; Q326-S330 VanDerWaalsContact O-CB 3.25Å; Q326-S330 WeakPolarHBondContact O-CB 3.29Å; Q326-S330 PolarHBondContact O-N 3.42Å; N327-S330 WeakPolarHBondContact O-CB 3.24Å; N327-S330 PolarHBondContact O-N 2.76Å; A328-S330 PolarHBondContact O-N 3.31Å; S330-Y333 PolarHBondContact O-N 3.42Å; S330-Q334 WeakPolarHBondContact O-CG 3.39Å; S330-Q334 PolarHBondContact O-N 3.1Å
331	V	95.4	Very high	93.3	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	17%	0.167	C	C	.	.	H	α-helix	trans	-62.2	-42.4	173.8	171.9	0	0	0	0	111.2	L120 Y123 F294 M298 N327 A328 V329 Y333 Q334 L335	L120-V331 HydrophobicContact CD2-CB 4.49Å; L120-V331 HydrophobicContact CD2-CG1 3.71Å; L120-V331 HydrophobicContact CD2-CG2 3.97Å; Y123-V331 HydrophobicContact CD2-CG2 4Å; F294-V331 HydrophobicContact CE1-CG2 4.27Å; M298-V331 HydrophobicContact SD-CG1 4.03Å; N327-V331 WeakPolarHBondContact O-CG2 3.38Å; N327-V331 PolarHBondContact O-N 3Å; A328-V331 PolarHBondContact O-N 3.41Å; V329-V331 VanDerWaalsContact C-N 3.33Å; V329-V331 PolarHBondContact O-N 3.16Å; V331-Y333 VanDerWaalsContact C-N 3.3Å; V331-Y333 PolarHBondContact O-N 3.24Å; V331-Q334 PolarHBondContact O-N 2.83Å; V331-Q334 VanDerWaalsContact O-N 3.14Å; V331-L335 HydrophobicContact CG1-CD1 3.72Å; V331-L335 HydrophobicContact CG1-CG 4.17Å; V331-L335 WeakPolarHBondContact O-CB 3.45Å; V331-L335 WeakPolarHBondContact O-CG 3.39Å; V331-L335 PolarHBondContact O-N 3.15Å
332	F	95.4	Very high	92.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.4	-38.1	176	-60.9	-22.9	0	0	0	112.8	F161 M298 V301 F302 I305 A328 V329 G336 F337 A338	F161-F332 HydrophobicContact CD1-CE1 4.26Å; F161-F332 HydrophobicContact CE1-CD1 4.13Å; F161-F332 AromaticContact CE1-CE1 3.54Å; F161-F332 HydrophobicContact CE1-CE1 3.54Å; F161-F332 AromaticContact CZ-CE1 3.98Å; F161-F332 HydrophobicContact CZ-CE1 3.98Å; M298-F332 HydrophobicContact CB-CE1 3.85Å; M298-F332 HydrophobicContact CB-CZ 3.76Å; M298-F332 HydrophobicContact CG-CE1 3.87Å; M298-F332 HydrophobicContact CG-CZ 4.01Å; M298-F332 WeakPolarHBondContact O-CZ 3.11Å; M298-F332 HydrophobicContact SD-CE1 3.89Å; V301-F332 HydrophobicContact CB-CE2 4.27Å; V301-F332 HydrophobicContact CG1-CE2 3.81Å; F302-F332 HydrophobicContact CD1-CD2 4.14Å; F302-F332 HydrophobicContact CD1-CE1 4.33Å; F302-F332 AromaticContact CD1-CE2 3.67Å; F302-F332 HydrophobicContact CD1-CE2 3.67Å; F302-F332 AromaticContact CD1-CZ 3.77Å; F302-F332 HydrophobicContact CD1-CZ 3.77Å; F302-F332 HydrophobicContact CD2-CE1 4.41Å; F302-F332 HydrophobicContact CD2-CZ 4.16Å; F302-F332 HydrophobicContact CE1-CD1 4Å; F302-F332 AromaticContact CE1-CD2 3.9Å; F302-F332 HydrophobicContact CE1-CD2 3.9Å; F302-F332 AromaticContact CE1-CE1 3.94Å; F302-F332 HydrophobicContact CE1-CE1 3.94Å; F302-F332 AromaticContact CE1-CE2 3.82Å; F302-F332 HydrophobicContact CE1-CE2 3.82Å; F302-F332 AromaticContact CE1-CG 3.99Å; F302-F332 HydrophobicContact CE1-CG 3.99Å; F302-F332 AromaticContact CE1-CZ 3.84Å; F302-F332 HydrophobicContact CE1-CZ 3.84Å; F302-F332 HydrophobicContact CE2-CE1 4.07Å; F302-F332 HydrophobicContact CE2-CZ 4.25Å; F302-F332 HydrophobicContact CG-CE2 4.19Å; F302-F332 AromaticContact CG-CZ 3.92Å; F302-F332 HydrophobicContact CG-CZ 3.92Å; F302-F332 AromaticContact CZ-CD1 3.94Å; F302-F332 HydrophobicContact CZ-CD1 3.94Å; F302-F332 AromaticContact CZ-CE1 3.79Å; F302-F332 HydrophobicContact CZ-CE1 3.79Å; F302-F332 HydrophobicContact CZ-CE2 4.49Å; F302-F332 HydrophobicContact CZ-CG 4.37Å; F302-F332 HydrophobicContact CZ-CZ 4.08Å; I305-F332 HydrophobicContact CD1-CD2 4.17Å; I305-F332 HydrophobicContact CD1-CE2 4.11Å; A328-F332 WeakPolarHBondContact O-CD1 3.43Å; A328-F332 WeakPolarHBondContact O-CD2 3.34Å; A328-F332 VanDerWaalsContact O-CG 3.23Å; A328-F332 WeakPolarHBondContact O-CG 3.3Å; A328-F332 PolarHBondContact O-N 3.42Å; V329-F332 PolarHBondContact O-N 3.4Å; F332-G336 PolarHBondContact O-N 3.07Å; F332-G336 VanDerWaalsContact O-N 3.14Å; F332-F337 HydrophobicContact CB-CB 4.43Å; F332-F337 PolarHBondContact O-N 3.04Å; F332-A338 HydrophobicContact CB-CB 3.73Å; F332-A338 PolarHBondContact O-N 3.26Å
333	Y	95	Very high	90.5	Very high	13 Å²	13	33.4 Å²	33.4	5%	0.051	18%	0.175	C	C	.	.	H	α-helix	trans	-65.4	-42.2	172.6	-68.7	-22.9	0	0	0	112.1	W212 V268 V270 V276 V329 S330 V331 L335 G336 A338 H339	W212-Y333 AromaticContact CH2-CD2 3.69Å; W212-Y333 HydrophobicContact CH2-CD2 3.69Å; W212-Y333 HydrophobicContact CH2-CE2 4.21Å; W212-Y333 HydrophobicContact CH2-CG 4.29Å; W212-Y333 HydrophobicContact CZ2-CD2 4.3Å; V268-Y333 HydrophobicContact CG1-CD2 4.13Å; V268-Y333 HydrophobicContact CG1-CG 4.45Å; V270-Y333 HydrophobicContact CG2-CD2 3.92Å; V270-Y333 HydrophobicContact CG2-CE2 3.89Å; V276-Y333 HydrophobicContact CG1-CE1 4.19Å; V329-Y333 HydrophobicContact CG1-CD2 4.16Å; V329-Y333 HydrophobicContact CG1-CE1 4.23Å; V329-Y333 HydrophobicContact CG1-CE2 3.71Å; V329-Y333 PolarHBondContact O-N 2.95Å; S330-Y333 PolarHBondContact O-N 3.42Å; V331-Y333 VanDerWaalsContact C-N 3.3Å; V331-Y333 PolarHBondContact O-N 3.24Å; Y333-L335 PolarHBondContact O-N 2.92Å; Y333-G336 PolarHBondContact O-N 3.04Å; Y333-A338 HydrophobicContact CD1-CB 3.83Å; Y333-A338 VanDerWaalsContact CD1-O 3.27Å; Y333-A338 WeakPolarHBondContact CD1-O 3.25Å; Y333-A338 HydrophobicContact CE1-CB 3.86Å; Y333-H339 VanDerWaalsContact CE1-CA 3.48Å
334	Q	93.1	Very high	88.4	Confident	15 Å²	15	33.4 Å²	33.4	7%	0.07	18%	0.175	C	C	.	.	H	α-helix	trans	-65.1	-37.2	178.1	-73.9	-176.1	57.3	0	0	113.3	Y123 R168 V268 S330 V331 G336	Y123-Q334 VanDerWaalsContact CD1-OE1 3.24Å; R168-Q334 VanDerWaalsContact CD-O 3.29Å; R168-Q334 WeakPolarHBondContact CD-O 3.17Å; V268-Q334 HydrophobicContact CB-CG 4Å; V268-Q334 HydrophobicContact CG1-CG 4.42Å; V268-Q334 HydrophobicContact CG2-CG 3.44Å; V268-Q334 VanDerWaalsContact CG2-CG 3.44Å; S330-Q334 WeakPolarHBondContact O-CG 3.39Å; S330-Q334 PolarHBondContact O-N 3.1Å; V331-Q334 PolarHBondContact O-N 2.83Å; V331-Q334 VanDerWaalsContact O-N 3.14Å; Q334-G336 VanDerWaalsContact C-N 3.29Å
335	L	92.7	Very high	85.8	Confident	21 Å²	21	38.6 Å²	38.6	11%	0.11	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-7.6	177.8	-64	177.7	0	0	0	113.2	F161 A164 D165 V331 Y333 F337	F161-L335 HydrophobicContact CB-CD1 4.35Å; F161-L335 HydrophobicContact CD1-CD1 3.95Å; A164-L335 HydrophobicContact CB-CD1 4.33Å; A164-L335 HydrophobicContact CB-CD2 4.3Å; D165-L335 HydrophobicContact CB-CD2 3.81Å; V331-L335 HydrophobicContact CG1-CD1 3.72Å; V331-L335 HydrophobicContact CG1-CG 4.17Å; V331-L335 WeakPolarHBondContact O-CB 3.45Å; V331-L335 WeakPolarHBondContact O-CG 3.39Å; V331-L335 PolarHBondContact O-N 3.15Å; Y333-L335 PolarHBondContact O-N 2.92Å; L335-F337 VanDerWaalsContact C-N 3.31Å; L335-F337 HydrophobicContact CB-CD1 4.4Å; L335-F337 HydrophobicContact CB-CD2 3.69Å; L335-F337 HydrophobicContact CB-CE1 4.42Å; L335-F337 HydrophobicContact CB-CE2 3.73Å; L335-F337 HydrophobicContact CB-CG 4.05Å; L335-F337 HydrophobicContact CB-CZ 4.11Å; L335-F337 HydrophobicContact CD1-CD2 3.94Å; L335-F337 HydrophobicContact CD1-CE2 3.61Å; L335-F337 HydrophobicContact CD1-CZ 4.46Å; L335-F337 HydrophobicContact CG-CD2 4.48Å; L335-F337 HydrophobicContact CG-CE2 4.28Å
336	G	90.9	Very high	82.7	Confident	54 Å²	54	43.3 Å²	43.3	56%	0.557	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.1	17.3	-177	0	0	0	0	0	114.2	F332 Y333 Q334	F332-G336 PolarHBondContact O-N 3.07Å; F332-G336 VanDerWaalsContact O-N 3.14Å; Y333-G336 PolarHBondContact O-N 3.04Å; Q334-G336 VanDerWaalsContact C-N 3.29Å
337	F	92.7	Very high	79.7	Confident	16 Å²	16	46.7 Å²	46.7	7%	0.07	26%	0.26	C	S	.	.	S	Bend	trans	-88.6	-9.9	179.4	-59.8	-24.3	0	0	0	113.8	F161 A164 P279 L281 F284 F302 F332 L335	F161-F337 HydrophobicContact CD1-CD2 4.33Å; F161-F337 HydrophobicContact CD1-CE2 4.09Å; F161-F337 HydrophobicContact CE1-CD2 4.21Å; F161-F337 HydrophobicContact CE1-CE2 4.29Å; A164-F337 HydrophobicContact CB-CE2 3.98Å; A164-F337 HydrophobicContact CB-CZ 3.65Å; P279-F337 WeakPolarHBondContact CD-O 3.15Å; L281-F337 HydrophobicContact CD2-CB 4.01Å; L281-F337 HydrophobicContact CD2-CD1 3.99Å; L281-F337 HydrophobicContact CD2-CG 4.12Å; F284-F337 HydrophobicContact CD2-CD1 4.34Å; F284-F337 HydrophobicContact CD2-CD2 4.31Å; F284-F337 AromaticContact CD2-CE1 3.74Å; F284-F337 HydrophobicContact CD2-CE1 3.74Å; F284-F337 AromaticContact CD2-CE2 3.69Å; F284-F337 HydrophobicContact CD2-CE2 3.69Å; F284-F337 AromaticContact CD2-CZ 3.37Å; F284-F337 HydrophobicContact CD2-CZ 3.37Å; F284-F337 HydrophobicContact CE2-CD2 4.07Å; F284-F337 HydrophobicContact CE2-CE1 4.39Å; F284-F337 AromaticContact CE2-CE2 3.48Å; F284-F337 HydrophobicContact CE2-CE2 3.48Å; F284-F337 VanDerWaalsContact CE2-CE2 3.48Å; F284-F337 AromaticContact CE2-CZ 3.67Å; F284-F337 HydrophobicContact CE2-CZ 3.67Å; F284-F337 HydrophobicContact CG-CZ 4.45Å; F302-F337 HydrophobicContact CE1-CB 4.3Å; F302-F337 HydrophobicContact CZ-CB 3.96Å; F302-F337 HydrophobicContact CZ-CD2 4.1Å; F302-F337 HydrophobicContact CZ-CG 4.37Å; F332-F337 HydrophobicContact CB-CB 4.43Å; F332-F337 PolarHBondContact O-N 3.04Å; L335-F337 VanDerWaalsContact C-N 3.31Å; L335-F337 HydrophobicContact CB-CD1 4.4Å; L335-F337 HydrophobicContact CB-CD2 3.69Å; L335-F337 HydrophobicContact CB-CE1 4.42Å; L335-F337 HydrophobicContact CB-CE2 3.73Å; L335-F337 HydrophobicContact CB-CG 4.05Å; L335-F337 HydrophobicContact CB-CZ 4.11Å; L335-F337 HydrophobicContact CD1-CD2 3.94Å; L335-F337 HydrophobicContact CD1-CE2 3.61Å; L335-F337 HydrophobicContact CD1-CZ 4.46Å; L335-F337 HydrophobicContact CG-CD2 4.48Å; L335-F337 HydrophobicContact CG-CE2 4.28Å
338	A	93	Very high	76.6	Confident	9 Å²	9	52.7 Å²	52.7	7%	0.074	29%	0.292	C	S	.	.			trans	-144.4	162.5	175.2	0	0	0	0	0	111	V276 V277 F332 Y333	V276-A338 HydrophobicContact CG1-CB 3.72Å; V277-A338 CarbonylContact O-C 3.46Å; V277-A338 VanDerWaalsContact O-CA 3.3Å; V277-A338 WeakPolarHBondContact O-CA 3.49Å; F332-A338 HydrophobicContact CB-CB 3.73Å; F332-A338 PolarHBondContact O-N 3.26Å; Y333-A338 HydrophobicContact CD1-CB 3.83Å; Y333-A338 VanDerWaalsContact CD1-O 3.27Å; Y333-A338 WeakPolarHBondContact CD1-O 3.25Å; Y333-A338 HydrophobicContact CE1-CB 3.86Å
339	H	92.4	Very high	73.5	Confident	41 Å²	41	58.2 Å²	58.2	19%	0.19	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	160.7	169.4	59.5	-75.8	0	0	0	110.7	V277 Y333	V277-H339 PolarHBondContact N-O 2.86Å; V277-H339 PolarHBondContact O-N 3.36Å; V277-H339 PolarHBondContact O-ND1 2.81Å; Y333-H339 VanDerWaalsContact CE1-CA 3.48Å
340	R	91.2	Very high	70.5	Confident	97 Å²	97	66.1 Å²	66.1	37%	0.366	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	131.2	176.6	-170.7	-179.7	-177.5	-161.9	4.2	109.4	D274 N342 Q343	D274-R340 IonicContact OD1-CZ 2.62Å; D274-R340 IonicContact OD1-NE 2.81Å; D274-R340 PolarHBondContact OD1-NE 2.93Å; D274-R340 IonicContact OD1-NH2 3.51Å; D274-R340 PolarHBondContact OD1-NH2 2.79Å; D274-R340 IonicContact OD2-NE 3.15Å; R340-N342 PolarHBondContact O-N 2.81Å; R340-Q343 PolarHBondContact O-N 3.47Å
341	K	82.3	Confident	67.6	Low	77 Å²	77	70.2 Å²	70.2	34%	0.335	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-50.1	-37.5	-177.7	-170.8	177.4	-172.7	174.9	0	114.1	C275 V277 Q307 N308 Q343	C275-K341 HydrophobicContact CB-CB 4.23Å; C275-K341 HydrophobicContact CB-CD 4.27Å; C275-K341 PolarHBondContact O-N 3.08Å; V277-K341 HydrophobicContact CG2-CB 3.85Å; V277-K341 HydrophobicContact CG2-CG 4.15Å; Q307-K341 VanDerWaalsContact O-CD 3.32Å; Q307-K341 WeakPolarHBondContact O-CD 3.49Å; Q307-K341 PolarHBondContact O-NZ 3.07Å; N308-K341 PolarHBondContact OD1-NZ 3.42Å; K341-Q343 VanDerWaalsContact C-N 3.3Å; K341-Q343 PolarHBondContact O-N 3.42Å
342	N	67.6	Low	64.6	Low	100 Å²	100	74.2 Å²	74.2	54%	0.535	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-75.3	-11.3	-175.6	-67.2	-14.9	0	0	0	114.7	R340 N344	R340-N342 PolarHBondContact O-N 2.81Å; N342-N344 PolarHBondContact O-N 3Å
343	Q	57.1	Low	61.8	Low	64 Å²	64	85.7 Å²	85.7	30%	0.299	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-68.1	-33.8	-179.1	-85.5	-171.2	6.8	0	0	113.4	W212 R340 K341 N345 S346	W212-Q343 VanDerWaalsContact CD1-NE2 3.26Å; R340-Q343 PolarHBondContact O-N 3.47Å; K341-Q343 VanDerWaalsContact C-N 3.3Å; K341-Q343 PolarHBondContact O-N 3.42Å; Q343-N345 PolarHBondContact O-N 2.99Å; Q343-N345 VanDerWaalsContact O-N 3.07Å; Q343-S346 PolarHBondContact O-N 3.29Å
344	N	47.7	Very low	59.4	Low	97 Å²	97	86.9 Å²	86.9	52%	0.519	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-65.9	-17.2	-176.1	-72.5	4.8	0	0	0	113.5	N342	N342-N344 PolarHBondContact O-N 3Å
345	N	38.3	Very low	56.8	Low	145 Å²	145	89.8 Å²	89.8	78%	0.775	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-93.8	-8.6	175.9	-73.5	-4.4	0	0	0	113.6	Q343 T347	Q343-N345 PolarHBondContact O-N 2.99Å; Q343-N345 VanDerWaalsContact O-N 3.07Å; N345-T347 VanDerWaalsContact C-N 3.35Å; N345-T347 PolarHBondContact O-N 3.29Å
346	S	32.2	Very low	53.9	Low	100 Å²	100	91.5 Å²	91.5	70%	0.699	51%	0.508	S	S	*	.			trans	-98.8	50.3	-179.2	-58.8	0	0	0	0	111.5	Q343	Q343-S346 PolarHBondContact O-N 3.29Å
347	T	31.7	Very low	50.9	Low	106 Å²	106	96 Å²	96	65%	0.65	52%	0.519	S	S	*	.			trans	-75.5	128.7	147.6	44.3	0	0	0	0	107.2	N345	N345-T347 VanDerWaalsContact C-N 3.35Å; N345-T347 PolarHBondContact O-N 3.29Å
348	D	29.7	Very low	47.9	Very low	141 Å²	141	102 Å²	102	75%	0.754	55%	0.546	S	S	*	.	S	Bend	trans	77.2	106.6	173	-44.9	-30.9	0	0	0	113.1
349	S	32.9	Very low	44.7	Very low	116 Å²	116	111.3 Å²	111.3	81%	0.811	58%	0.584	S	S	*	*	S	Bend		-169.7	5.8	93	-66.7	0	0	0	0	115.9
350	I	33.3	Very low	41.4	Very low	165 Å²	165	117.2 Å²	117.2	85%	0.846	61%	0.612	S	S	*	*			trans	-145.1	59	178.2	-43.4	172	0	0	0	110.4
351	S	35.1	Very low	38.2	Very low	97 Å²	97	117.2 Å²	117.2	68%	0.678	63%	0.627	S	S	*	*			trans	-90.6	112	170.9	-57.1	0	0	0	0	108.7	R353	S351-R353 PolarHBondContact O-N 3.44Å
352	N	33.1	Very low	35.4	Very low	85 Å²	85	123.2 Å²	123.2	46%	0.455	65%	0.653	S	S	.	*			trans	-50.8	138.2	160.7	-84.2	-30.6	0	0	0	108.8	A248 S354 W355	A248-N352 PolarHBondContact O-ND2 3.44Å; N352-S354 PolarHBondContact O-N 3.45Å; N352-W355 PolarHBondContact O-N 2.88Å
353	R	35.6	Very low	33.3	Very low	240 Å²	240	125.3 Å²	125.3	91%	0.906	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-54.4	-25.6	-172.2	-74.9	-175.2	-176.1	-150	0.7	114.1	S351 W355 G356	S351-R353 PolarHBondContact O-N 3.44Å; R353-W355 PolarHBondContact O-N 2.9Å; R353-G356 PolarHBondContact O-N 3.25Å
354	S	44.4	Very low	31.7	Very low	39 Å²	39	129.3 Å²	129.3	27%	0.273	69%	0.688	S	S	.	*	G	3₁₀ helix	trans	-65.4	-17	177.1	46.7	0	0	0	0	114.2	D251 N352	D251-S354 WeakPolarHBondContact OD1-CB 3.32Å; N352-S354 PolarHBondContact O-N 3.45Å
355	W	38.7	Very low	30.5	Very low	75 Å²	75	128 Å²	128	28%	0.284	70%	0.697	S	S	.	*	G	3₁₀ helix	trans	-93.3	-9.4	177.5	-71.4	71.7	0	0	0	113.8	I209 S211 V247 I252 N352 R353	I209-W355 VanDerWaalsContact O-CH2 3.24Å; I209-W355 WeakPolarHBondContact O-CH2 3.36Å; I209-W355 WeakPolarHBondContact O-CZ3 3.34Å; S211-W355 VanDerWaalsContact N-CH2 3.27Å; V247-W355 HydrophobicContact CG1-CH2 4.36Å; V247-W355 HydrophobicContact CG1-CZ2 3.9Å; I252-W355 HydrophobicContact CD1-CH2 4.22Å; I252-W355 HydrophobicContact CD1-CZ2 4.01Å; N352-W355 PolarHBondContact O-N 2.88Å; R353-W355 PolarHBondContact O-N 2.9Å
356	G	30.9	Very low	29.8	Very low	57 Å²	57	127.8 Å²	127.8	59%	0.588	70%	0.696	S	S	*	*	S	Bend	trans	-86.3	-22.9	-170.6	0	0	0	0	0	116.1	R353	R353-G356 PolarHBondContact O-N 3.25Å
357	D	29.9	Very low	29.3	Very low	150 Å²	150	130.6 Å²	130.6	80%	0.802	70%	0.702	S	S	*	*	S	Bend	trans	-93.7	-3.4	-169.4	-99.6	-12.9	0	0	0	115	K359	D357-K359 PolarHBondContact O-N 3.3Å
358	F	29.5	Very low	29.2	Very low	142 Å²	142	129.8 Å²	129.8	62%	0.623	69%	0.693	S	S	*	*			trans	-85.2	58.6	176.7	-74.5	-83.7	0	0	0	112.5
359	K	24.3	Very low	29.2	Very low	204 Å²	204	128 Å²	128	89%	0.887	68%	0.683	S	S	*	*			trans	-112.4	50.3	153.3	-87.6	-175.1	177.7	173.7	0	108.5	D357 S361	D357-K359 PolarHBondContact O-N 3.3Å; K359-S361 PolarHBondContact O-N 3.31Å
360	E	23.9	Very low	28.9	Very low	165 Å²	165	126.1 Å²	126.1	77%	0.771	66%	0.664	S	S	*	*			trans	-65.3	122.9	164.8	-80	-171	155.2	0	0	108.1	K362	E360-K362 PolarHBondContact O-N 3.26Å
361	S	24.5	Very low	28.7	Very low	97 Å²	97	121 Å²	121	68%	0.678	64%	0.643	S	S	*	*			trans	-22.8	120.9	159.5	37.2	0	0	0	0	111.2	K359 D363	K359-S361 PolarHBondContact O-N 3.31Å; S361-D363 PolarHBondContact O-N 2.96Å
362	K	22.8	Very low	28.3	Very low	203 Å²	203	119.8 Å²	119.8	88%	0.883	63%	0.634	S	S	*	*			trans	-53.5	84.5	159.6	-85.4	-178.6	171.2	-179.1	0	107.4	E360	E360-K362 PolarHBondContact O-N 3.26Å
363	D	23	Very low	28.1	Very low	143 Å²	143	117.4 Å²	117.4	77%	0.765	63%	0.626	S	S	*	*			trans	-71.2	137.1	174.4	-147	-3.6	0	0	0	105.8	S361 G365	S361-D363 PolarHBondContact O-N 2.96Å; D363-G365 PolarHBondContact O-N 3.27Å
364	N	24	Very low	27.8	Very low	149 Å²	149	107.9 Å²	107.9	80%	0.797	59%	0.593	S	S	*	*			trans	-72.1	55	-168.8	-69.8	-45.8	0	0	0	111.7	N366	N364-N366 PolarHBondContact O-N 3.24Å
365	G	22.3	Very low	27	Very low	69 Å²	69	109.6 Å²	109.6	71%	0.711	60%	0.602	S	S	*	*			trans	-66.6	84.5	171.1	0	0	0	0	0	108.9	D363 L367	D363-G365 PolarHBondContact O-N 3.27Å; G365-L367 PolarHBondContact O-N 3.02Å
366	N	23.6	Very low	26.6	Very low	141 Å²	141	110.5 Å²	110.5	75%	0.754	62%	0.616	S	S	*	*			trans	35.6	80.1	169.1	-69.6	-23.8	0	0	0	112.4	N364 I368	N364-N366 PolarHBondContact O-N 3.24Å; N366-I368 WeakPolarHBondContact O-CA 3.48Å; N366-I368 WeakPolarHBondContact O-CG1 3.28Å; N366-I368 PolarHBondContact O-N 2.88Å
367	L	22	Very low	26.6	Very low	159 Å²	159	108.4 Å²	108.4	83%	0.832	59%	0.592	S	S	*	*			trans	-46.1	98.4	164.4	-158.9	107.7	0	0	0	106.9	G365 D369	G365-L367 PolarHBondContact O-N 3.02Å; L367-D369 PolarHBondContact O-N 3.38Å; L367-D369 VanDerWaalsContact O-N 3.12Å
368	I	30.8	Very low	26.7	Very low	88 Å²	88	102.6 Å²	102.6	45%	0.451	56%	0.561	S	S	.	*			trans	-59	123.6	-170.8	-60.9	172.3	0	0	0	104.5	N366 L370	N366-I368 WeakPolarHBondContact O-CA 3.48Å; N366-I368 WeakPolarHBondContact O-CG1 3.28Å; N366-I368 PolarHBondContact O-N 2.88Å; I368-L370 HydrophobicContact CB-CD1 4.48Å; I368-L370 HydrophobicContact CB-CG 4.08Å; I368-L370 HydrophobicContact CG2-CD2 3.81Å; I368-L370 HydrophobicContact CG2-CG 3.8Å; I368-L370 PolarHBondContact O-N 3.25Å
369	D	28.3	Very low	26.7	Very low	103 Å²	103	103.5 Å²	103.5	55%	0.551	57%	0.567	S	S	*	*			trans	-68.7	69	180	-174.2	14.8	0	0	0	109.8	L367 S371 S372	L367-D369 PolarHBondContact O-N 3.38Å; L367-D369 VanDerWaalsContact O-N 3.12Å; D369-S371 PolarHBondContact O-N 3.43Å; D369-S371 PolarHBondContact OD1-OG 3.42Å; D369-S372 PolarHBondContact O-OG 3.02Å
370	L	27.4	Very low	26.9	Very low	78 Å²	78	100 Å²	100	41%	0.408	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.3	-7.5	176.7	-67.1	170.9	0	0	0	110.8	I368 S372 A373 L374	I368-L370 HydrophobicContact CB-CD1 4.48Å; I368-L370 HydrophobicContact CB-CG 4.08Å; I368-L370 HydrophobicContact CG2-CD2 3.81Å; I368-L370 HydrophobicContact CG2-CG 3.8Å; I368-L370 PolarHBondContact O-N 3.25Å; L370-S372 VanDerWaalsContact C-N 3.29Å; L370-S372 PolarHBondContact O-N 3.21Å; L370-A373 PolarHBondContact O-N 3.15Å; L370-L374 WeakPolarHBondContact O-CG 3.4Å; L370-L374 PolarHBondContact O-N 3.48Å
371	S	28	Very low	27.2	Very low	57 Å²	57	97 Å²	97	40%	0.399	54%	0.536	S	S	.	.	H	α-helix	trans	-63.4	-35.2	-178.5	79.6	0	0	0	0	112.1	D369	D369-S371 PolarHBondContact O-N 3.43Å; D369-S371 PolarHBondContact OD1-OG 3.42Å
372	S	27.9	Very low	27.2	Very low	71 Å²	71	99.9 Å²	99.9	50%	0.497	54%	0.542	S	S	.	.	H	α-helix	trans	-77.7	-32.7	178.1	62.5	0	0	0	0	113.2	D369 L370 T376	D369-S372 PolarHBondContact O-OG 3.02Å; L370-S372 VanDerWaalsContact C-N 3.29Å; L370-S372 PolarHBondContact O-N 3.21Å; S372-T376 PolarHBondContact O-OG1 3.17Å
373	A	29.3	Very low	27.5	Very low	36 Å²	36	94 Å²	94	30%	0.298	53%	0.525	S	S	.	.	H	α-helix	trans	-70.9	-36.7	-178.6	0	0	0	0	0	112.6	L370	L370-A373 PolarHBondContact O-N 3.15Å
374	L	28.8	Very low	27.4	Very low	39 Å²	39	92.7 Å²	92.7	20%	0.204	53%	0.527	C	S	.	.	H	α-helix	trans	-71.2	-31.6	-175.6	-73.8	164.7	0	0	0	114.3	L370 T376 S377 M425 V438	L370-L374 WeakPolarHBondContact O-CG 3.4Å; L370-L374 PolarHBondContact O-N 3.48Å; L374-T376 VanDerWaalsContact C-N 3.35Å; L374-S377 PolarHBondContact O-OG 2.91Å; L374-M425 HydrophobicContact CB-CE 3.6Å; L374-M425 HydrophobicContact CD1-CE 4.26Å; L374-M425 HydrophobicContact CD2-CE 4.38Å; L374-M425 HydrophobicContact CG-CE 4.31Å; L374-V438 HydrophobicContact CD2-CG2 3.95Å
375	V	28.2	Very low	27.5	Very low	76 Å²	76	92 Å²	92	46%	0.461	52%	0.521	S	S	.	.	H	α-helix	trans	-71.8	-32.2	-175.4	177.5	0	0	0	0	111.4	S377	V375-S377 PolarHBondContact O-N 2.96Å
376	T	29.1	Very low	27.5	Very low	93 Å²	93	96.9 Å²	96.9	57%	0.571	53%	0.525	S	S	*	.	H	α-helix	trans	-77.7	-15.4	-173.3	-20.9	0	0	0	0	114	R288 S372 L374	R288-T376 PolarHBondContact NH2-O 2.74Å; S372-T376 PolarHBondContact O-OG1 3.17Å; L374-T376 VanDerWaalsContact C-N 3.35Å
377	S	30.8	Very low	27.5	Very low	14 Å²	14	96.7 Å²	96.7	10%	0.098	52%	0.524	C	S	.	.	H	α-helix	trans	-95.3	-29.3	-173.5	48.4	0	0	0	0	114.7	L374 V375	L374-S377 PolarHBondContact O-OG 2.91Å; V375-S377 PolarHBondContact O-N 2.96Å
378	I	32.7	Very low	27.7	Very low	27 Å²	27	93.5 Å²	93.5	14%	0.138	52%	0.515	C	S	.	.	H	α-helix	trans	-76.7	-34.2	-173.9	-62.9	174.7	0	0	0	112	E380 A422 M425	I378-E380 PolarHBondContact O-N 3.36Å; I378-E380 VanDerWaalsContact O-N 3.15Å; I378-A422 HydrophobicContact CG2-CB 4.23Å; I378-M425 HydrophobicContact CD1-CB 4.07Å; I378-M425 HydrophobicContact CD1-CE 3.92Å; I378-M425 HydrophobicContact CD1-CG 3.57Å; I378-M425 HydrophobicContact CD1-SD 4.44Å
379	Q	28.6	Very low	27.4	Very low	161 Å²	161	95.4 Å²	95.4	75%	0.752	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-14.5	-172.6	-162.4	123.5	-11.7	0	0	114.3
380	E	29	Very low	27.4	Very low	132 Å²	132	99.1 Å²	99.1	62%	0.617	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	2.9	-174.4	-71	-179.5	170.8	0	0	114.4	R288 I378 L382	R288-E380 IonicContact CZ-OE2 3.61Å; R288-E380 IonicContact NH1-OE2 3.36Å; R288-E380 PolarHBondContact NH1-OE2 3.36Å; R288-E380 IonicContact NH2-OE2 2.64Å; R288-E380 PolarHBondContact NH2-OE2 3.17Å; I378-E380 PolarHBondContact O-N 3.36Å; I378-E380 VanDerWaalsContact O-N 3.15Å; E380-L382 PolarHBondContact O-N 3.39Å
381	R	30	Very low	27.4	Very low	102 Å²	102	100.8 Å²	100.8	39%	0.385	55%	0.546	S	S	.	.			trans	-85.2	74.8	170.1	-77.1	-176.6	179.3	-169.4	16.4	110.3	N287 E442	N287-R381 PolarHBondContact O-NH2 2.84Å; N287-R381 VanDerWaalsContact O-NH2 3.09Å; R381-E442 IonicContact NH1-OE1 3.72Å; R381-E442 IonicContact NH2-OE1 2.84Å
382	L	24.9	Very low	27.5	Very low	156 Å²	156	102.7 Å²	102.7	82%	0.817	56%	0.56	S	S	*	*			trans	-106.6	118	157.5	-88.1	156.6	0	0	0	107.1	E380	E380-L382 PolarHBondContact O-N 3.39Å
383	P	28.4	Very low	27.7	Very low	81 Å²	81	104.7 Å²	104.7	53%	0.526	56%	0.561	S	S	.	*			trans	-83.4	150.1	-155.9	32.6	-36.2	0	0	0	114.3	E528	P383-E528 WeakPolarHBondContact CG-OE2 3.45Å
384	S	22.6	Very low	27.8	Very low	115 Å²	115	110.3 Å²	110.3	80%	0.804	59%	0.586	S	S	*	*			trans	-117.8	102.9	156.8	57.2	0	0	0	0	106.6
385	M	25.7	Very low	27.9	Very low	134 Å²	134	114.3 Å²	114.3	66%	0.66	61%	0.608	S	S	*	*			trans	-136.9	103.4	-179.6	-78.8	-89.5	138.3	0	0	107.6	T290	T290-M385 HydrophobicContact CG2-CE 4.3Å
386	E	22.3	Very low	28.3	Very low	171 Å²	171	112.3 Å²	112.3	80%	0.799	60%	0.596	S	S	*	*			trans	-106.4	107.7	164.5	-68.5	-179.6	174.4	0	0	105.5
387	D	24.1	Very low	28.8	Very low	138 Å²	138	112.3 Å²	112.3	74%	0.738	60%	0.6	S	S	*	*			trans	-158.8	144	169.1	-112.4	-20.7	0	0	0	115.2
388	S	26.2	Very low	29.2	Very low	92 Å²	92	118.9 Å²	118.9	64%	0.643	63%	0.629	S	S	*	*			trans	72	111.8	161.9	-58.3	0	0	0	0	119.2
389	L	23.6	Very low	29.4	Very low	127 Å²	127	121.7 Å²	121.7	67%	0.665	64%	0.644	S	S	*	*			trans	-107.9	152.8	-175.9	-76.3	159.2	0	0	0	113
390	F	27.1	Very low	30	Very low	181 Å²	181	115.4 Å²	115.4	79%	0.794	62%	0.616	S	S	*	*			trans	62.3	100.9	164.1	-55.7	-67.2	0	0	0	118.2
391	D	27.9	Very low	30.4	Very low	114 Å²	114	112.7 Å²	112.7	61%	0.61	62%	0.616	S	S	*	*			trans	-117.9	139.3	160.1	-158.8	9	0	0	0	109.4
392	S	30.3	Very low	30.8	Very low	97 Å²	97	114.7 Å²	114.7	68%	0.678	63%	0.634	S	S	*	*			trans	-87.3	122.7	-178.1	38.5	0	0	0	0	110.8	D394	S392-D394 VanDerWaalsContact C-N 3.29Å; S392-D394 PolarHBondContact O-N 3.17Å; S392-D394 VanDerWaalsContact O-N 3.16Å
393	E	31.8	Very low	31.5	Very low	113 Å²	113	108.8 Å²	108.8	53%	0.528	61%	0.606	S	S	.	*	G	3₁₀ helix	trans	-68.5	-10	-167.1	-67.9	-160.2	140.1	0	0	116.6	N395 V396	E393-N395 VanDerWaalsContact C-N 3.29Å; E393-N395 PolarHBondContact O-N 2.85Å; E393-N395 VanDerWaalsContact O-N 3.07Å; E393-V396 PolarHBondContact O-N 2.98Å
394	D	31.2	Very low	32.1	Very low	153 Å²	153	108.1 Å²	108.1	82%	0.818	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-72.1	-11.1	-161.4	-80.5	-21.9	0	0	0	116.3	S392	S392-D394 VanDerWaalsContact C-N 3.29Å; S392-D394 PolarHBondContact O-N 3.17Å; S392-D394 VanDerWaalsContact O-N 3.16Å
395	N	31	Very low	32.8	Very low	124 Å²	124	110.7 Å²	110.7	66%	0.663	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-101.1	-4.1	-178.1	-75	-28.4	0	0	0	115.4	E393 L399	E393-N395 VanDerWaalsContact C-N 3.29Å; E393-N395 PolarHBondContact O-N 2.85Å; E393-N395 VanDerWaalsContact O-N 3.07Å; N395-L399 WeakPolarHBondContact O-CD1 3.37Å
396	V	36.9	Very low	33.8	Very low	34 Å²	34	107.7 Å²	107.7	21%	0.206	60%	0.603	C	S	.	*	H	α-helix	trans	-80.6	-38.7	-171.6	-166.5	0	0	0	0	112.1	E393 E398 L399 V400 I509 M536	E393-V396 PolarHBondContact O-N 2.98Å; V396-E398 PolarHBondContact O-N 3.25Å; V396-L399 PolarHBondContact O-N 3.16Å; V396-V400 PolarHBondContact O-N 3.27Å; V396-I509 HydrophobicContact CG1-CD1 3.94Å; V396-I509 HydrophobicContact CG1-CG2 4.11Å; V396-M536 HydrophobicContact CG1-SD 4.22Å
397	S	40.8	Very low	35.2	Very low	93 Å²	93	101.6 Å²	101.6	65%	0.65	58%	0.58	S	S	*	*	H	α-helix	trans	-65.7	-36.2	-174.4	-64	0	0	0	0	113.5
398	E	38.8	Very low	36.7	Very low	152 Å²	152	103.2 Å²	103.2	71%	0.71	58%	0.583	S	S	*	*	H	α-helix	trans	-73	-28	-178.8	-164.2	168.9	-172.2	0	0	112.3	V396	V396-E398 PolarHBondContact O-N 3.25Å
399	L	37.1	Very low	38.7	Very low	86 Å²	86	103.2 Å²	103.2	45%	0.45	59%	0.588	S	S	.	*	H	α-helix	trans	-81	-31.9	-179	-72.5	165.1	0	0	0	113.5	N395 V396 A401 L402	N395-L399 WeakPolarHBondContact O-CD1 3.37Å; V396-L399 PolarHBondContact O-N 3.16Å; L399-A401 PolarHBondContact O-N 2.86Å; L399-L402 PolarHBondContact O-N 3.32Å
400	V	40.1	Very low	41.7	Very low	28 Å²	28	98.6 Å²	98.6	17%	0.17	56%	0.563	C	S	.	*	H	α-helix	trans	-62.1	-34	176.7	176.4	0	0	0	0	110.7	V396 L402 S403 M536	V396-V400 PolarHBondContact O-N 3.27Å; V400-L402 VanDerWaalsContact C-N 3.35Å; V400-L402 PolarHBondContact O-N 2.98Å; V400-S403 PolarHBondContact O-N 2.92Å; V400-S403 PolarHBondContact O-OG 3.43Å; V400-S403 VanDerWaalsContact O-OG 3.05Å; V400-M536 HydrophobicContact CG2-SD 4.43Å
401	A	38.8	Very low	44.7	Very low	75 Å²	75	91 Å²	91	62%	0.62	53%	0.53	S	S	*	.	H	α-helix	trans	-64.6	-34.1	180	0	0	0	0	0	113.6	L399 S403	L399-A401 PolarHBondContact O-N 2.86Å; A401-S403 PolarHBondContact O-N 3.08Å
402	L	38.1	Very low	47.8	Very low	144 Å²	144	85.6 Å²	85.6	75%	0.754	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-8.5	-175.7	-68.7	170.1	0	0	0	114.2	L399 V400	L399-L402 PolarHBondContact O-N 3.32Å; V400-L402 VanDerWaalsContact C-N 3.35Å; V400-L402 PolarHBondContact O-N 2.98Å
403	S	38.5	Very low	50.8	Low	33 Å²	33	81 Å²	81	23%	0.231	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	9.2	-172.8	60.9	0	0	0	0	114.7	V400 A401 K410	V400-S403 PolarHBondContact O-N 2.92Å; V400-S403 PolarHBondContact O-OG 3.43Å; V400-S403 VanDerWaalsContact O-OG 3.05Å; A401-S403 PolarHBondContact O-N 3.08Å; S403-K410 PolarHBondContact O-NZ 3.45Å
404	A	40.5	Very low	53.9	Low	66 Å²	66	75.6 Å²	75.6	55%	0.545	44%	0.443	S	S	.	.			trans	-76.3	-23.1	-176.5	0	0	0	0	0	114.7	S406	A404-S406 VanDerWaalsContact C-N 3.29Å; A404-S406 PolarHBondContact O-N 3.38Å
405	D	37.9	Very low	56.9	Low	170 Å²	170	68.3 Å²	68.3	91%	0.909	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	10.4	-163.7	-82.5	-7.5	0	0	0	116.9
406	S	46.8	Very low	59.9	Low	70 Å²	70	62.5 Å²	62.5	49%	0.49	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144	30.9	178.1	57.4	0	0	0	0	115	A404 E408 A409	A404-S406 VanDerWaalsContact C-N 3.29Å; A404-S406 PolarHBondContact O-N 3.38Å; S406-E408 PolarHBondContact O-N 2.92Å; S406-A409 PolarHBondContact O-N 3.49Å
407	S	51.6	Low	62.3	Low	44 Å²	44	61.1 Å²	61.1	31%	0.308	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-51.7	-33.7	-170.4	-165.2	0	0	0	0	115.4	A409 K410	S407-A409 PolarHBondContact O-N 3.19Å; S407-K410 PolarHBondContact O-N 3.33Å
408	E	55.6	Low	64.6	Low	172 Å²	172	58 Å²	58	80%	0.804	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-74.1	-22.4	-178.8	-65.3	-156.3	159.7	0	0	114.5	S406 K410	S406-E408 PolarHBondContact O-N 2.92Å; E408-K410 VanDerWaalsContact C-N 3.33Å
409	A	67.5	Low	66.9	Low	91 Å²	91	52.4 Å²	52.4	75%	0.752	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-85.6	-7.6	178.8	0	0	0	0	0	113.1	S406 S407	S406-A409 PolarHBondContact O-N 3.49Å; S407-A409 PolarHBondContact O-N 3.19Å
410	K	86.8	Confident	69.5	Low	31 Å²	31	48.4 Å²	48.4	14%	0.135	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-81.2	147.6	-177.3	-67.7	-175.4	-174	178.5	0	111.6	S403 S407 E408 T513 K514 R517	S403-K410 PolarHBondContact O-NZ 3.45Å; S407-K410 PolarHBondContact O-N 3.33Å; E408-K410 VanDerWaalsContact C-N 3.33Å; K410-T513 WeakPolarHBondContact CE-O 3.31Å; K410-T513 PolarHBondContact NZ-O 3.13Å; K410-K514 WeakPolarHBondContact CE-O 3.3Å; K410-R517 HydrophobicContact CB-CB 3.84Å
411	K	91.5	Very high	71.8	Confident	22 Å²	22	47.1 Å²	47.1	10%	0.096	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	172.3	-177.2	-56.8	-179.5	-177	170.7	0	111.9	D306 D491 D493 N515 Y516 R517	D306-K411 IonicContact OD1-NZ 3.88Å; D306-K411 PolarHBondContact OD1-NZ 3.27Å; D306-K411 IonicContact OD2-NZ 3.27Å; K411-D491 WeakPolarHBondContact CA-O 3.48Å; K411-D491 HydrophobicContact CB-CB 4.3Å; K411-D491 WeakPolarHBondContact CB-O 3.38Å; K411-D491 HydrophobicContact CD-CB 4.25Å; K411-D491 HydrophobicContact CG-CB 3.79Å; K411-D493 IonicContact NZ-OD1 3.52Å; K411-D493 IonicContact NZ-OD2 2.91Å; K411-N515 PolarHBondContact N-O 2.61Å; K411-Y516 HydrophobicContact CB-CD1 3.87Å; K411-Y516 HydrophobicContact CB-CE1 4.04Å; K411-Y516 CarbonylContact O-C 3.58Å; K411-Y516 VanDerWaalsContact O-CA 3.29Å; K411-Y516 WeakPolarHBondContact O-CA 3.49Å; K411-R517 PolarHBondContact O-N 3.16Å
412	I	92.8	Very high	74.1	Confident	0 Å²	0	45 Å²	45	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	141.9	164.7	-62.1	178.1	0	0	0	108.5	I489 A490 D491 L492 D493 I518 L520 L759	I412-I489 HydrophobicContact CD1-CG2 4.24Å; I412-A490 HydrophobicContact CD1-CB 3.78Å; I412-A490 HydrophobicContact CG1-CB 3.93Å; I412-D491 PolarHBondContact N-O 3.16Å; I412-L492 HydrophobicContact CB-CD1 4.19Å; I412-L492 HydrophobicContact CG2-CD1 3.92Å; I412-L492 WeakPolarHBondContact O-CA 3.21Å; I412-D493 PolarHBondContact O-N 3.11Å; I412-I518 HydrophobicContact CD1-CG2 4.36Å; I412-I518 HydrophobicContact CG1-CG2 3.87Å; I412-I518 HydrophobicContact CG2-CG2 4.28Å; I412-L520 HydrophobicContact CG2-CD1 3.32Å; I412-L759 HydrophobicContact CD1-CD1 4.34Å
413	A	93.7	Very high	76.3	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	138.1	168.6	0	0	0	0	0	110.8	D493 I495 Y516 I518 I519 L520	A413-D493 CarbonylContact C-O 3.56Å; A413-D493 WeakPolarHBondContact CA-O 3.08Å; A413-I495 HydrophobicContact CB-CD1 3.74Å; A413-I495 HydrophobicContact CB-CG1 4.43Å; A413-Y516 HydrophobicContact CB-CD1 3.65Å; A413-Y516 HydrophobicContact CB-CD2 4.16Å; A413-Y516 HydrophobicContact CB-CE1 3.9Å; A413-Y516 HydrophobicContact CB-CE2 4.39Å; A413-Y516 HydrophobicContact CB-CG 3.81Å; A413-I518 PolarHBondContact N-O 3.12Å; A413-I518 VanDerWaalsContact N-O 3.16Å; A413-I519 HydrophobicContact CB-CG1 4.2Å; A413-I519 HydrophobicContact CB-CG2 4.35Å; A413-I519 CarbonylContact O-C 3.54Å; A413-I519 WeakPolarHBondContact O-CA 3.5Å; A413-L520 PolarHBondContact O-N 3.49Å
414	L	95.6	Very high	78.6	Confident	0 Å²	0	40 Å²	40	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	115.2	167.1	-178.8	65.7	0	0	0	109.6	L486 L492 D493 L494 I495 L520 I522 L738	L414-L486 HydrophobicContact CB-CD1 4.3Å; L414-L486 HydrophobicContact CD1-CD1 4.17Å; L414-L486 HydrophobicContact CD2-CD1 4.1Å; L414-L486 HydrophobicContact CG-CD1 4.44Å; L414-L492 HydrophobicContact CB-CD1 4Å; L414-D493 PolarHBondContact N-O 3.34Å; L414-L494 HydrophobicContact CB-CD2 3.83Å; L414-L494 HydrophobicContact CD2-CD2 3.78Å; L414-L494 HydrophobicContact CG-CD2 4.23Å; L414-L494 WeakPolarHBondContact O-CA 3.39Å; L414-I495 PolarHBondContact O-N 2.83Å; L414-L520 CarbonylContact C-O 3.58Å; L414-L520 WeakPolarHBondContact CA-O 3.46Å; L414-L520 HydrophobicContact CD1-CB 3.96Å; L414-I522 HydrophobicContact CD1-CD1 4.44Å; L414-I522 HydrophobicContact CD1-CG1 4.04Å; L414-I522 HydrophobicContact CD2-CD1 4.1Å; L414-I522 HydrophobicContact CD2-CG1 4.39Å; L414-I522 HydrophobicContact CG-CD1 4.13Å; L414-I522 HydrophobicContact CG-CG1 4.28Å; L414-L738 HydrophobicContact CD1-CD1 3.99Å
415	L	94.3	Very high	80.6	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	136.4	176.7	-58.7	-174.7	0	0	0	111.6	I495 L500 I519 L520 I522 V532	L415-I495 WeakPolarHBondContact CA-O 3.44Å; L415-I495 HydrophobicContact CD2-CB 3.85Å; L415-I495 HydrophobicContact CD2-CG2 4.26Å; L415-L500 HydrophobicContact CD2-CD1 4.1Å; L415-I519 HydrophobicContact CD1-CG2 3.51Å; L415-I519 HydrophobicContact CD2-CG2 4.08Å; L415-I519 HydrophobicContact CG-CG2 3.44Å; L415-I519 VanDerWaalsContact CG-CG2 3.44Å; L415-L520 PolarHBondContact N-O 3.24Å; L415-I522 PolarHBondContact O-N 3.03Å; L415-V532 HydrophobicContact CD1-CB 4.43Å; L415-V532 HydrophobicContact CD1-CG2 3.53Å
416	F	93.3	Very high	82.4	Confident	1 Å²	1	33.5 Å²	33.5	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	158.4	173.3	63.6	-89.3	0	0	0	110	L420 T421 L440 L494 I495 R496 C497 I522	F416-L420 HydrophobicContact CB-CB 4.11Å; F416-L420 HydrophobicContact CB-CD2 3.61Å; F416-L420 HydrophobicContact CB-CG 4.49Å; F416-L420 HydrophobicContact CD1-CD2 3.97Å; F416-L420 HydrophobicContact CD2-CB 3.81Å; F416-L420 HydrophobicContact CD2-CD2 3.73Å; F416-L420 HydrophobicContact CD2-CG 4.18Å; F416-L420 HydrophobicContact CE2-CD2 4.39Å; F416-L420 HydrophobicContact CG-CB 4.24Å; F416-L420 HydrophobicContact CG-CD2 3.5Å; F416-L420 HydrophobicContact CG-CG 4.4Å; F416-T421 HydrophobicContact CE2-CG2 3.86Å; F416-L440 HydrophobicContact CE1-CD2 3.74Å; F416-L440 HydrophobicContact CE2-CB 4.4Å; F416-L440 HydrophobicContact CZ-CB 3.92Å; F416-L440 HydrophobicContact CZ-CD2 3.53Å; F416-L440 HydrophobicContact CZ-CG 4.21Å; F416-L494 HydrophobicContact CD1-CB 4.28Å; F416-L494 HydrophobicContact CE1-CB 3.82Å; F416-I495 VanDerWaalsContact CD1-O 3.23Å; F416-I495 WeakPolarHBondContact CD1-O 3.48Å; F416-I495 WeakPolarHBondContact CE1-O 3.38Å; F416-I495 PolarHBondContact N-O 3.23Å; F416-I495 VanDerWaalsContact N-O 3.1Å; F416-R496 HydrophobicContact CD2-CB 4.32Å; F416-R496 HydrophobicContact CD2-CG 4.27Å; F416-R496 HydrophobicContact CE1-CB 4.33Å; F416-R496 HydrophobicContact CE2-CB 3.59Å; F416-R496 HydrophobicContact CE2-CG 3.75Å; F416-R496 HydrophobicContact CZ-CB 3.58Å; F416-R496 HydrophobicContact CZ-CG 4.27Å; F416-R496 CarbonylContact O-C 3.59Å; F416-R496 WeakPolarHBondContact O-CA 3.34Å; F416-C497 WeakPolarHBondContact O-CB 3.37Å; F416-C497 PolarHBondContact O-N 3.25Å; F416-I522 HydrophobicContact CB-CD1 3.56Å
417	D	89.1	Confident	83.3	Confident	5 Å²	5	32.4 Å²	32.4	3%	0.027	20%	0.196	C	C	.	.			trans	-98.9	172.2	170.2	63.7	43.2	0	0	0	111.8	S419 L420 E498 L525 N526 A529	D417-S419 PolarHBondContact O-N 3.02Å; D417-S419 WeakPolarHBondContact OD1-CA 3.32Å; D417-S419 WeakPolarHBondContact OD1-CB 3.23Å; D417-S419 PolarHBondContact OD1-N 2.97Å; D417-S419 PolarHBondContact OD1-OG 3.48Å; D417-L420 PolarHBondContact O-N 2.83Å; D417-E498 WeakPolarHBondContact CA-OE2 3.4Å; D417-L525 HydrophobicContact CB-CD2 4.42Å; D417-L525 WeakPolarHBondContact OD2-CA 3.45Å; D417-N526 HydrophobicContact CB-CB 4.3Å; D417-N526 VanDerWaalsContact CG-CG 3.46Å; D417-N526 PolarHBondContact OD1-ND2 3.42Å; D417-N526 PolarHBondContact OD2-N 3.35Å; D417-N526 PolarHBondContact OD2-ND2 3.26Å; D417-N526 PolarHBondContact OD2-OD1 2.96Å; D417-N526 VanDerWaalsContact OD2-OD1 3.11Å; D417-A529 HydrophobicContact CB-CB 3.7Å
418	S	88.9	Confident	84.1	Confident	28 Å²	28	38.3 Å²	38.3	20%	0.196	22%	0.224	C	C	.	.	H	α-helix	trans	-60.6	-11.6	-176	-53.3	0	0	0	0	114.3	L420 T421 A422 R496 E498	S418-L420 VanDerWaalsContact C-N 3.28Å; S418-L420 PolarHBondContact O-N 3Å; S418-T421 WeakPolarHBondContact CA-OG1 3.46Å; S418-T421 PolarHBondContact O-N 3.4Å; S418-T421 PolarHBondContact O-OG1 3.03Å; S418-A422 PolarHBondContact O-N 3.23Å; S418-R496 PolarHBondContact OG-NH1 2.82Å; S418-E498 VanDerWaalsContact CB-OE1 3.28Å; S418-E498 WeakPolarHBondContact CB-OE1 3.2Å; S418-E498 PolarHBondContact N-OE1 3.26Å; S418-E498 PolarHBondContact N-OE2 2.89Å; S418-E498 PolarHBondContact OG-OE1 3.29Å; S418-E498 PolarHBondContact OG-OE2 2.93Å
419	S	87.3	Confident	84.8	Confident	34 Å²	34	30.9 Å²	30.9	24%	0.238	19%	0.19	C	C	.	.	H	α-helix	trans	-62.8	-36.7	173	76	0	0	0	0	111.5	D417 T421 A422 F423	D417-S419 PolarHBondContact O-N 3.02Å; D417-S419 WeakPolarHBondContact OD1-CA 3.32Å; D417-S419 WeakPolarHBondContact OD1-CB 3.23Å; D417-S419 PolarHBondContact OD1-N 2.97Å; D417-S419 PolarHBondContact OD1-OG 3.48Å; S419-T421 PolarHBondContact O-N 2.89Å; S419-A422 WeakPolarHBondContact O-CB 3.47Å; S419-A422 PolarHBondContact O-N 2.86Å; S419-F423 WeakPolarHBondContact O-CD2 3.38Å; S419-F423 PolarHBondContact O-N 2.78Å
420	L	90.3	Very high	85.1	Confident	3 Å²	3	28.5 Å²	28.5	2%	0.016	17%	0.168	C	C	.	.	H	α-helix	trans	-61.9	-46.4	177.4	173.2	59.7	0	0	0	111.2	F416 D417 S418 A422 F423 L424 Y475 L479 I522	F416-L420 HydrophobicContact CB-CB 4.11Å; F416-L420 HydrophobicContact CB-CD2 3.61Å; F416-L420 HydrophobicContact CB-CG 4.49Å; F416-L420 HydrophobicContact CD1-CD2 3.97Å; F416-L420 HydrophobicContact CD2-CB 3.81Å; F416-L420 HydrophobicContact CD2-CD2 3.73Å; F416-L420 HydrophobicContact CD2-CG 4.18Å; F416-L420 HydrophobicContact CE2-CD2 4.39Å; F416-L420 HydrophobicContact CG-CB 4.24Å; F416-L420 HydrophobicContact CG-CD2 3.5Å; F416-L420 HydrophobicContact CG-CG 4.4Å; D417-L420 PolarHBondContact O-N 2.83Å; S418-L420 VanDerWaalsContact C-N 3.28Å; S418-L420 PolarHBondContact O-N 3Å; L420-A422 VanDerWaalsContact C-N 3.3Å; L420-A422 PolarHBondContact O-N 3.36Å; L420-F423 PolarHBondContact O-N 2.73Å; L420-L424 HydrophobicContact CD1-CD1 4.32Å; L420-L424 HydrophobicContact CD1-CG 4.31Å; L420-L424 HydrophobicContact CG-CD1 4.4Å; L420-L424 WeakPolarHBondContact O-CG 3.47Å; L420-L424 PolarHBondContact O-N 2.94Å; L420-Y475 HydrophobicContact CD1-CE1 3.6Å; L420-L479 HydrophobicContact CD1-CD1 4.23Å; L420-L479 HydrophobicContact CD1-CD2 3.71Å; L420-L479 HydrophobicContact CD2-CD1 4.31Å; L420-I522 HydrophobicContact CD2-CD1 4.3Å
421	T	89	Confident	84.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64	-37.5	177.2	42.8	0	0	0	0	111.8	F416 S418 S419 L424 M425 L440 F441	F416-T421 HydrophobicContact CE2-CG2 3.86Å; S418-T421 WeakPolarHBondContact CA-OG1 3.46Å; S418-T421 PolarHBondContact O-N 3.4Å; S418-T421 PolarHBondContact O-OG1 3.03Å; S419-T421 PolarHBondContact O-N 2.89Å; T421-L424 PolarHBondContact O-N 3.17Å; T421-M425 VanDerWaalsContact O-CG 3.26Å; T421-M425 WeakPolarHBondContact O-CG 3.39Å; T421-M425 PolarHBondContact O-N 2.99Å; T421-L440 HydrophobicContact CG2-CB 3.63Å; T421-F441 HydrophobicContact CG2-CB 4.1Å; T421-F441 HydrophobicContact CG2-CD2 4.49Å
422	A	86.3	Confident	84.4	Confident	31 Å²	31	32 Å²	32	26%	0.256	20%	0.199	S	C	.	.	H	α-helix	trans	-63.9	-44.4	174.7	0	0	0	0	0	111.3	I378 S418 S419 L420 L424 M425 M426	I378-A422 HydrophobicContact CG2-CB 4.23Å; S418-A422 PolarHBondContact O-N 3.23Å; S419-A422 WeakPolarHBondContact O-CB 3.47Å; S419-A422 PolarHBondContact O-N 2.86Å; L420-A422 VanDerWaalsContact C-N 3.3Å; L420-A422 PolarHBondContact O-N 3.36Å; A422-L424 VanDerWaalsContact C-N 3.35Å; A422-L424 PolarHBondContact O-N 3.47Å; A422-M425 PolarHBondContact O-N 2.82Å; A422-M426 WeakPolarHBondContact O-CG 3.32Å; A422-M426 PolarHBondContact O-N 3.26Å
423	F	84.2	Confident	84.1	Confident	71 Å²	71	32 Å²	32	31%	0.311	20%	0.199	S	C	.	.	H	α-helix	trans	-57.7	-46.2	174.9	-79.6	-62.4	0	0	0	111.7	S419 L420 M425 M426 H472 Y475	S419-F423 WeakPolarHBondContact O-CD2 3.38Å; S419-F423 PolarHBondContact O-N 2.78Å; L420-F423 PolarHBondContact O-N 2.73Å; F423-M425 PolarHBondContact O-N 3.16Å; F423-M425 VanDerWaalsContact O-N 3.1Å; F423-M426 HydrophobicContact CD1-SD 3.93Å; F423-M426 HydrophobicContact CE1-SD 4.32Å; F423-M426 PolarHBondContact O-N 3.17Å; F423-M426 VanDerWaalsContact O-N 3.14Å; F423-H472 PolarHBondContact O-CE1 2.98Å; F423-Y475 HydrophobicContact CB-CE1 4.38Å; F423-Y475 HydrophobicContact CD2-CE1 4.27Å; F423-Y475 HydrophobicContact CG-CE1 4.47Å
424	L	86.9	Confident	83.7	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-8.6	178.6	-65.1	176.6	0	0	0	114.3	L420 T421 A422 L429 L433 A437 L440 L458 L479	L420-L424 HydrophobicContact CD1-CD1 4.32Å; L420-L424 HydrophobicContact CD1-CG 4.31Å; L420-L424 HydrophobicContact CG-CD1 4.4Å; L420-L424 WeakPolarHBondContact O-CG 3.47Å; L420-L424 PolarHBondContact O-N 2.94Å; T421-L424 PolarHBondContact O-N 3.17Å; A422-L424 VanDerWaalsContact C-N 3.35Å; A422-L424 PolarHBondContact O-N 3.47Å; L424-L429 WeakPolarHBondContact O-CD1 3.42Å; L424-L433 HydrophobicContact CD2-CD1 4.46Å; L424-A437 HydrophobicContact CB-CB 3.67Å; L424-L440 HydrophobicContact CD1-CD1 3.96Å; L424-L458 HydrophobicContact CD2-CD2 3.94Å; L424-L479 HydrophobicContact CD2-CD2 4.3Å
425	M	83.2	Confident	83.5	Confident	9 Å²	9	33.8 Å²	33.8	4%	0.044	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-11.7	176.5	-70.2	-66.4	-68.7	0	0	113.3	L374 I378 T421 A422 F423 K434 A437 V438	L374-M425 HydrophobicContact CB-CE 3.6Å; L374-M425 HydrophobicContact CD1-CE 4.26Å; L374-M425 HydrophobicContact CD2-CE 4.38Å; L374-M425 HydrophobicContact CG-CE 4.31Å; I378-M425 HydrophobicContact CD1-CB 4.07Å; I378-M425 HydrophobicContact CD1-CE 3.92Å; I378-M425 HydrophobicContact CD1-CG 3.57Å; I378-M425 HydrophobicContact CD1-SD 4.44Å; T421-M425 VanDerWaalsContact O-CG 3.26Å; T421-M425 WeakPolarHBondContact O-CG 3.39Å; T421-M425 PolarHBondContact O-N 2.99Å; A422-M425 PolarHBondContact O-N 2.82Å; F423-M425 PolarHBondContact O-N 3.16Å; F423-M425 VanDerWaalsContact O-N 3.1Å; M425-K434 HydrophobicContact CE-CB 4.34Å; M425-K434 HydrophobicContact CE-CD 4.45Å; M425-K434 HydrophobicContact CE-CG 4.4Å; M425-K434 HydrophobicContact SD-CB 3.72Å; M425-K434 HydrophobicContact SD-CD 4.46Å; M425-K434 HydrophobicContact SD-CG 3.8Å; M425-A437 HydrophobicContact CG-CB 3.72Å; M425-A437 HydrophobicContact SD-CB 3.64Å; M425-V438 HydrophobicContact CE-CG2 4.45Å; M425-V438 HydrophobicContact SD-CG2 4.47Å
426	M	75.9	Confident	83.3	Confident	91 Å²	91	34 Å²	34	45%	0.448	21%	0.211	S	C	.	.	S	Bend	trans	-68.9	138.7	-178.3	-75.6	-176.5	161.8	0	0	112.4	A422 F423 L429	A422-M426 WeakPolarHBondContact O-CG 3.32Å; A422-M426 PolarHBondContact O-N 3.26Å; F423-M426 HydrophobicContact CD1-SD 3.93Å; F423-M426 HydrophobicContact CE1-SD 4.32Å; F423-M426 PolarHBondContact O-N 3.17Å; F423-M426 VanDerWaalsContact O-N 3.14Å; M426-L429 WeakPolarHBondContact O-CD1 3.36Å; M426-L429 VanDerWaalsContact O-CG 3.27Å; M426-L429 WeakPolarHBondContact O-CG 3.5Å
427	G	66	Low	83.2	Confident	47 Å²	47	34 Å²	34	49%	0.485	21%	0.211	S	C	.	.	S	Bend	trans	73.9	-160.4	168.5	0	0	0	0	0	115.5	L429 K434	G427-L429 PolarHBondContact O-N 3.14Å; G427-L429 VanDerWaalsContact O-N 3.17Å; G427-K434 PolarHBondContact O-NZ 3.03Å
428	N	67.1	Low	83.3	Confident	167 Å²	167	34.1 Å²	34.1	89%	0.893	21%	0.212	S	C	*	.	S	Bend	trans	-89.7	44.4	-174.7	-161.2	21.8	0	0	0	112.2
429	L	70.3	Confident	83.4	Confident	16 Å²	16	33 Å²	33	8%	0.084	20%	0.203	C	C	.	.			trans	-67.3	152.9	173.8	-63.9	171.9	0	0	0	110.6	L424 M426 G427 L433 V461 I476	L424-L429 WeakPolarHBondContact O-CD1 3.42Å; M426-L429 WeakPolarHBondContact O-CD1 3.36Å; M426-L429 VanDerWaalsContact O-CG 3.27Å; M426-L429 WeakPolarHBondContact O-CG 3.5Å; G427-L429 PolarHBondContact O-N 3.14Å; G427-L429 VanDerWaalsContact O-N 3.17Å; L429-L433 HydrophobicContact CB-CD2 4.25Å; L429-L433 HydrophobicContact CD1-CD2 4Å; L429-L433 HydrophobicContact CD2-CD2 4.05Å; L429-L433 HydrophobicContact CG-CD2 4.32Å; L429-V461 HydrophobicContact CD2-CB 4.47Å; L429-V461 HydrophobicContact CD2-CG1 3.63Å; L429-V461 HydrophobicContact CD2-CG2 3.94Å; L429-I476 HydrophobicContact CD2-CD1 4.33Å
430	S	75.8	Confident	83.7	Confident	42 Å²	42	31.4 Å²	31.4	29%	0.294	19%	0.192	S	C	.	.			trans	-56.8	145.5	177.7	57.6	0	0	0	0	111.1	S432 L433 K434 E457	S430-S432 WeakPolarHBondContact CB-OG 3.49Å; S430-S432 PolarHBondContact O-N 3.23Å; S430-S432 PolarHBondContact OG-OG 3.48Å; S430-L433 PolarHBondContact O-N 3.17Å; S430-L433 VanDerWaalsContact O-N 3.11Å; S430-L433 WeakPolarHBondContact OG-CB 3.17Å; S430-L433 PolarHBondContact OG-N 3.05Å; S430-K434 PolarHBondContact O-N 3.1Å; S430-K434 VanDerWaalsContact O-N 3.17Å; S430-E457 PolarHBondContact OG-OE2 3.11Å
431	S	78.7	Confident	83.7	Confident	86 Å²	86	31.6 Å²	31.6	60%	0.601	19%	0.193	S	C	*	.	H	α-helix	trans	-57.1	-37.5	175.7	51.9	0	0	0	0	111.6	L433 K434 C435	S431-L433 PolarHBondContact O-N 3.28Å; S431-K434 WeakPolarHBondContact O-CB 3.39Å; S431-K434 PolarHBondContact O-N 3.39Å; S431-C435 PolarHBondContact O-N 2.99Å; S431-C435 PolarHBondContact O-SG 2.56Å
432	S	83	Confident	83.8	Confident	40 Å²	40	31.9 Å²	31.9	28%	0.28	19%	0.194	S	C	.	.	H	α-helix	trans	-56.9	-43.8	174.3	47.6	0	0	0	0	113	S430 C435 H436 E457	S430-S432 WeakPolarHBondContact CB-OG 3.49Å; S430-S432 PolarHBondContact O-N 3.23Å; S430-S432 PolarHBondContact OG-OG 3.48Å; S432-C435 WeakPolarHBondContact O-CB 3.37Å; S432-C435 PolarHBondContact O-N 3.38Å; S432-H436 PolarHBondContact O-N 3.34Å; S432-H436 PolarHBondContact O-ND1 2.79Å; S432-E457 WeakPolarHBondContact CB-OE2 3.45Å; S432-E457 VanDerWaalsContact OG-CD 3.22Å; S432-E457 PolarHBondContact OG-OE2 3.42Å
433	L	86.4	Confident	84	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-68	-38.6	177.3	-178.1	58.8	0	0	0	111.3	L424 L429 S430 S431 C435 H436 A437 L454 E457 L458 V461	L424-L433 HydrophobicContact CD2-CD1 4.46Å; L429-L433 HydrophobicContact CB-CD2 4.25Å; L429-L433 HydrophobicContact CD1-CD2 4Å; L429-L433 HydrophobicContact CD2-CD2 4.05Å; L429-L433 HydrophobicContact CG-CD2 4.32Å; S430-L433 PolarHBondContact O-N 3.17Å; S430-L433 VanDerWaalsContact O-N 3.11Å; S430-L433 WeakPolarHBondContact OG-CB 3.17Å; S430-L433 PolarHBondContact OG-N 3.05Å; S431-L433 PolarHBondContact O-N 3.28Å; L433-C435 VanDerWaalsContact C-N 3.27Å; L433-C435 PolarHBondContact O-N 3.09Å; L433-H436 WeakPolarHBondContact O-CB 3.28Å; L433-H436 PolarHBondContact O-N 3.27Å; L433-H436 VanDerWaalsContact O-N 3.09Å; L433-A437 PolarHBondContact O-N 3.13Å; L433-A437 VanDerWaalsContact O-N 3.09Å; L433-L454 HydrophobicContact CD1-CD1 3.46Å; L433-L454 VanDerWaalsContact CD1-CD1 3.46Å; L433-E457 HydrophobicContact CB-CB 4.41Å; L433-E457 HydrophobicContact CD1-CB 4.31Å; L433-L458 HydrophobicContact CD1-CD2 3.78Å; L433-L458 HydrophobicContact CD1-CG 4.35Å; L433-L458 HydrophobicContact CD2-CD2 4.11Å; L433-V461 HydrophobicContact CD2-CG2 3.87Å
434	K	86.9	Confident	84.3	Confident	15 Å²	15	27.2 Å²	27.2	7%	0.065	17%	0.169	C	C	.	.	H	α-helix	trans	-60.5	-36.7	175.3	-66.1	-177.4	178.9	-179.2	0	111.8	M425 G427 S430 S431 H436 A437 V438	M425-K434 HydrophobicContact CE-CB 4.34Å; M425-K434 HydrophobicContact CE-CD 4.45Å; M425-K434 HydrophobicContact CE-CG 4.4Å; M425-K434 HydrophobicContact SD-CB 3.72Å; M425-K434 HydrophobicContact SD-CD 4.46Å; M425-K434 HydrophobicContact SD-CG 3.8Å; G427-K434 PolarHBondContact O-NZ 3.03Å; S430-K434 PolarHBondContact O-N 3.1Å; S430-K434 VanDerWaalsContact O-N 3.17Å; S431-K434 WeakPolarHBondContact O-CB 3.39Å; S431-K434 PolarHBondContact O-N 3.39Å; K434-H436 VanDerWaalsContact C-N 3.31Å; K434-H436 PolarHBondContact O-N 3.44Å; K434-A437 WeakPolarHBondContact O-CB 3.49Å; K434-A437 PolarHBondContact O-N 3.23Å; K434-V438 WeakPolarHBondContact O-CG2 3.49Å; K434-V438 PolarHBondContact O-N 3.44Å
435	C	90.2	Very high	84.6	Confident	23 Å²	23	28.1 Å²	28.1	16%	0.155	17%	0.173	C	C	.	.	H	α-helix	trans	-60	-39.4	174	-61.1	0	0	0	0	112.4	L281 S431 S432 L433 V438 T439	L281-C435 WeakPolarHBondContact O-CB 3.29Å; S431-C435 PolarHBondContact O-N 2.99Å; S431-C435 PolarHBondContact O-SG 2.56Å; S432-C435 WeakPolarHBondContact O-CB 3.37Å; S432-C435 PolarHBondContact O-N 3.38Å; L433-C435 VanDerWaalsContact C-N 3.27Å; L433-C435 PolarHBondContact O-N 3.09Å; C435-V438 PolarHBondContact O-N 3.37Å; C435-T439 WeakPolarHBondContact O-CB 3.38Å; C435-T439 PolarHBondContact O-N 3.09Å; C435-T439 PolarHBondContact O-OG1 3.2Å
436	H	91.2	Very high	85	Confident	4 Å²	4	28 Å²	28	2%	0.019	17%	0.172	C	C	.	.	H	α-helix	trans	-67	-40.2	175	-64.8	82.9	0	0	0	112	T280 S432 L433 K434 T439 L440 S453 L454	T280-H436 VanDerWaalsContact CG2-CD2 3.41Å; T280-H436 WeakPolarHBondContact CG2-CD2 3.36Å; T280-H436 WeakPolarHBondContact CG2-NE2 3.44Å; S432-H436 PolarHBondContact O-N 3.34Å; S432-H436 PolarHBondContact O-ND1 2.79Å; L433-H436 WeakPolarHBondContact O-CB 3.28Å; L433-H436 PolarHBondContact O-N 3.27Å; L433-H436 VanDerWaalsContact O-N 3.09Å; K434-H436 VanDerWaalsContact C-N 3.31Å; K434-H436 PolarHBondContact O-N 3.44Å; H436-T439 WeakPolarHBondContact O-CB 3.26Å; H436-T439 PolarHBondContact O-N 2.76Å; H436-L440 WeakPolarHBondContact O-CB 3.43Å; H436-L440 WeakPolarHBondContact O-CG 3.49Å; H436-L440 PolarHBondContact O-N 2.89Å; H436-S453 WeakPolarHBondContact NE2-CB 3.46Å; H436-S453 PolarHBondContact NE2-OG 3.48Å; H436-L454 HydrophobicContact CB-CD1 3.84Å; H436-L454 PolarHBondContact NE2-N 3.36Å
437	A	90.8	Very high	85.7	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.008	16%	0.156	C	C	.	.	H	α-helix	trans	-63.8	-42.2	176.9	0	0	0	0	0	111.9	L424 M425 L433 K434 T439 L440 F441	L424-A437 HydrophobicContact CB-CB 3.67Å; M425-A437 HydrophobicContact CG-CB 3.72Å; M425-A437 HydrophobicContact SD-CB 3.64Å; L433-A437 PolarHBondContact O-N 3.13Å; L433-A437 VanDerWaalsContact O-N 3.09Å; K434-A437 WeakPolarHBondContact O-CB 3.49Å; K434-A437 PolarHBondContact O-N 3.23Å; A437-T439 VanDerWaalsContact C-N 3.34Å; A437-L440 PolarHBondContact O-N 3.02Å; A437-F441 WeakPolarHBondContact O-CB 3.41Å; A437-F441 PolarHBondContact O-N 3.5Å
438	V	90.4	Very high	86.5	Confident	8 Å²	8	23.3 Å²	23.3	5%	0.048	15%	0.147	C	C	.	.	H	α-helix	trans	-61.9	-42.9	173.4	172	0	0	0	0	110.9	F284 M286 L374 M425 K434 C435 F441 E442	F284-V438 HydrophobicContact CB-CG1 4.16Å; M286-V438 HydrophobicContact CE-CG1 4.04Å; M286-V438 HydrophobicContact CE-CG2 4.42Å; L374-V438 HydrophobicContact CD2-CG2 3.95Å; M425-V438 HydrophobicContact CE-CG2 4.45Å; M425-V438 HydrophobicContact SD-CG2 4.47Å; K434-V438 WeakPolarHBondContact O-CG2 3.49Å; K434-V438 PolarHBondContact O-N 3.44Å; C435-V438 PolarHBondContact O-N 3.37Å; V438-F441 PolarHBondContact O-N 3.04Å; V438-F441 VanDerWaalsContact O-N 3.16Å; V438-E442 HydrophobicContact CG1-CG 4.25Å; V438-E442 WeakPolarHBondContact O-CB 3.32Å; V438-E442 PolarHBondContact O-N 3.01Å
439	T	92.4	Very high	87.3	Confident	3 Å²	3	21.9 Å²	21.9	2%	0.018	14%	0.135	C	C	.	.	H	α-helix	trans	-60	-49.2	176.2	-53.3	0	0	0	0	111.2	L281 C435 H436 A437 F441 V443 G444 L446	L281-T439 HydrophobicContact CG-CG2 4.36Å; L281-T439 PolarHBondContact N-OG1 3.37Å; C435-T439 WeakPolarHBondContact O-CB 3.38Å; C435-T439 PolarHBondContact O-N 3.09Å; C435-T439 PolarHBondContact O-OG1 3.2Å; H436-T439 WeakPolarHBondContact O-CB 3.26Å; H436-T439 PolarHBondContact O-N 2.76Å; A437-T439 VanDerWaalsContact C-N 3.34Å; T439-F441 PolarHBondContact O-N 3.19Å; T439-V443 HydrophobicContact CG2-CB 4.33Å; T439-V443 HydrophobicContact CG2-CG2 3.92Å; T439-V443 WeakPolarHBondContact O-CA 3.5Å; T439-V443 VanDerWaalsContact O-CB 3.23Å; T439-V443 WeakPolarHBondContact O-CB 3.41Å; T439-V443 PolarHBondContact O-N 2.77Å; T439-G444 PolarHBondContact O-N 2.96Å; T439-L446 HydrophobicContact CG2-CD1 3.92Å
440	L	92.6	Very high	88.2	Confident	1 Å²	1	21.9 Å²	21.9	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-59.9	-30.9	176.3	-76.2	168.3	0	0	0	112.5	F416 T421 L424 H436 A437 G444 L446 L494	F416-L440 HydrophobicContact CE1-CD2 3.74Å; F416-L440 HydrophobicContact CE2-CB 4.4Å; F416-L440 HydrophobicContact CZ-CB 3.92Å; F416-L440 HydrophobicContact CZ-CD2 3.53Å; F416-L440 HydrophobicContact CZ-CG 4.21Å; T421-L440 HydrophobicContact CG2-CB 3.63Å; L424-L440 HydrophobicContact CD1-CD1 3.96Å; H436-L440 WeakPolarHBondContact O-CB 3.43Å; H436-L440 WeakPolarHBondContact O-CG 3.49Å; H436-L440 PolarHBondContact O-N 2.89Å; A437-L440 PolarHBondContact O-N 3.02Å; L440-G444 WeakPolarHBondContact O-CA 3.41Å; L440-G444 PolarHBondContact O-N 2.96Å; L440-L446 HydrophobicContact CD2-CB 3.41Å; L440-L446 VanDerWaalsContact CD2-CB 3.41Å; L440-L446 HydrophobicContact CD2-CD2 4.4Å; L440-L446 HydrophobicContact CD2-CG 4.42Å; L440-L446 HydrophobicContact CG-CB 4.13Å; L440-L494 HydrophobicContact CD2-CB 3.91Å; L440-L494 HydrophobicContact CD2-CD1 4.3Å
441	F	91.1	Very high	88.9	Confident	7 Å²	7	19.9 Å²	19.9	3%	0.031	12%	0.123	C	C	.	.	H	α-helix	trans	-79.9	-52.3	-179.8	-169.9	-107	0	0	0	112.7	M286 T421 A437 V438 T439 R496	M286-F441 HydrophobicContact CE-CD1 3.74Å; M286-F441 HydrophobicContact CE-CE1 4.3Å; M286-F441 HydrophobicContact SD-CD1 3.97Å; M286-F441 HydrophobicContact SD-CE1 3.91Å; T421-F441 HydrophobicContact CG2-CB 4.1Å; T421-F441 HydrophobicContact CG2-CD2 4.49Å; A437-F441 WeakPolarHBondContact O-CB 3.41Å; A437-F441 PolarHBondContact O-N 3.5Å; V438-F441 PolarHBondContact O-N 3.04Å; V438-F441 VanDerWaalsContact O-N 3.16Å; T439-F441 PolarHBondContact O-N 3.19Å; F441-R496 VanDerWaalsContact O-CZ 3.29Å; F441-R496 PolarHBondContact O-NE 3.35Å; F441-R496 VanDerWaalsContact O-NE 3.08Å; F441-R496 PolarHBondContact O-NH2 3.33Å
442	E	89.7	Confident	89.4	Confident	6 Å²	6	19.1 Å²	19.1	3%	0.028	11%	0.112	C	C	.	.	H	α-helix	trans	-81.5	-47.4	-173.5	-69.1	-62.6	140.5	0	0	112.8	L281 F284 M286 Y299 R381 V438 G444	L281-E442 HydrophobicContact CD1-CB 4.24Å; F284-E442 HydrophobicContact CD1-CG 3.94Å; F284-E442 HydrophobicContact CE1-CB 4.24Å; F284-E442 HydrophobicContact CE1-CG 3.72Å; F284-E442 HydrophobicContact CZ-CG 4.47Å; M286-E442 HydrophobicContact CE-CG 3.64Å; M286-E442 VanDerWaalsContact CE-OE1 3.24Å; M286-E442 WeakPolarHBondContact CE-OE1 3.39Å; M286-E442 VanDerWaalsContact CG-OE1 3.23Å; M286-E442 WeakPolarHBondContact CG-OE1 3.28Å; M286-E442 VanDerWaalsContact SD-OE1 3.33Å; Y299-E442 WeakPolarHBondContact CD1-O 3.45Å; Y299-E442 WeakPolarHBondContact CE1-O 3.34Å; Y299-E442 WeakPolarHBondContact CE1-OE2 3.39Å; Y299-E442 PolarHBondContact OH-OE2 3.13Å; R381-E442 IonicContact NH1-OE1 3.72Å; R381-E442 IonicContact NH2-OE1 2.84Å; V438-E442 HydrophobicContact CG1-CG 4.25Å; V438-E442 WeakPolarHBondContact O-CB 3.32Å; V438-E442 PolarHBondContact O-N 3.01Å; E442-G444 VanDerWaalsContact C-N 3.34Å
443	V	91.3	Very high	89.8	Confident	5 Å²	5	19.4 Å²	19.4	3%	0.03	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-31.3	175.9	-174	0	0	0	0	110.1	V278 L281 F302 V303 T439 K445	V278-V443 HydrophobicContact CG1-CG1 4.22Å; V278-V443 HydrophobicContact CG1-CG2 3.96Å; L281-V443 HydrophobicContact CD1-CG2 3.64Å; L281-V443 HydrophobicContact CG-CG2 4.08Å; F302-V443 HydrophobicContact CB-CG1 4.13Å; F302-V443 HydrophobicContact CD1-CG1 4.39Å; F302-V443 HydrophobicContact CD1-CG2 4.49Å; F302-V443 HydrophobicContact CG-CG1 4.34Å; F302-V443 HydrophobicContact CG-CG2 4.47Å; V303-V443 WeakPolarHBondContact CA-O 3.39Å; T439-V443 HydrophobicContact CG2-CB 4.33Å; T439-V443 HydrophobicContact CG2-CG2 3.92Å; T439-V443 WeakPolarHBondContact O-CA 3.5Å; T439-V443 VanDerWaalsContact O-CB 3.23Å; T439-V443 WeakPolarHBondContact O-CB 3.41Å; T439-V443 PolarHBondContact O-N 2.77Å; V443-K445 PolarHBondContact O-N 3.42Å
444	G	91	Very high	90	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.114	C	C	.	.			trans	79	-1.1	-177.2	0	0	0	0	0	114.2	T439 L440 E442 I495 R496 S499	T439-G444 PolarHBondContact O-N 2.96Å; L440-G444 WeakPolarHBondContact O-CA 3.41Å; L440-G444 PolarHBondContact O-N 2.96Å; E442-G444 VanDerWaalsContact C-N 3.34Å; G444-I495 CarbonylContact O-C 3.6Å; G444-I495 WeakPolarHBondContact O-CA 3.11Å; G444-R496 PolarHBondContact O-N 3.1Å; G444-S499 WeakPolarHBondContact CA-OG 3.15Å; G444-S499 PolarHBondContact O-OG 3.07Å
445	K	92.3	Very high	90.2	Very high	20 Å²	20	19.4 Å²	19.4	9%	0.087	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	144.4	-175.9	-178.4	178.2	170.5	-176	0	111.8	I305 D306 V443 D493 L494 I495 Y516	I305-K445 PolarHBondContact O-NZ 3.26Å; I305-K445 VanDerWaalsContact O-NZ 3.16Å; D306-K445 IonicContact OD1-NZ 3.12Å; D306-K445 PolarHBondContact OD1-NZ 3.39Å; V443-K445 PolarHBondContact O-N 3.42Å; K445-D493 WeakPolarHBondContact CE-OD2 3.26Å; K445-D493 IonicContact NZ-OD2 2.68Å; K445-D493 PolarHBondContact NZ-OD2 2.64Å; K445-L494 CarbonylContact C-O 3.59Å; K445-L494 VanDerWaalsContact CA-O 3.26Å; K445-L494 WeakPolarHBondContact CA-O 3.26Å; K445-I495 HydrophobicContact CG-CG1 4.34Å; K445-Y516 WeakPolarHBondContact CE-OH 3.46Å; K445-Y516 PolarHBondContact NZ-OH 2.82Å; K445-Y516 VanDerWaalsContact NZ-OH 3.15Å
446	L	92.7	Very high	90.2	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.026	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	130.5	171.2	-165.8	92.1	0	0	0	109.9	T280 T439 L440 L451 L454 D493 L494	T280-L446 HydrophobicContact CG2-CD1 4.35Å; T439-L446 HydrophobicContact CG2-CD1 3.92Å; L440-L446 HydrophobicContact CD2-CB 3.41Å; L440-L446 VanDerWaalsContact CD2-CB 3.41Å; L440-L446 HydrophobicContact CD2-CD2 4.4Å; L440-L446 HydrophobicContact CD2-CG 4.42Å; L440-L446 HydrophobicContact CG-CB 4.13Å; L446-L451 HydrophobicContact CD2-CB 4.47Å; L446-L451 HydrophobicContact CD2-CD1 4.08Å; L446-L454 HydrophobicContact CD2-CB 4Å; L446-L454 HydrophobicContact CD2-CD2 3.64Å; L446-L454 HydrophobicContact CD2-CG 4.42Å; L446-D493 WeakPolarHBondContact O-CA 3.18Å; L446-L494 HydrophobicContact CB-CB 4.46Å; L446-L494 PolarHBondContact N-O 2.91Å; L446-L494 PolarHBondContact O-N 2.93Å
447	G	89.2	Confident	90	Very high	11 Å²	11	24 Å²	24	11%	0.113	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	173.9	-178.2	0	0	0	0	0	113.1	Q449 S450 D493	G447-Q449 PolarHBondContact O-N 3.35Å; G447-S450 PolarHBondContact O-N 3.45Å; G447-D493 VanDerWaalsContact CA-OD1 3.32Å; G447-D493 WeakPolarHBondContact CA-OD1 3.4Å
448	G	82.9	Confident	89.8	Confident	30 Å²	30	24 Å²	24	31%	0.309	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	-131.5	176.2	0	0	0	0	0	113.6	S450 L451 D452	G448-S450 VanDerWaalsContact C-N 3.28Å; G448-S450 PolarHBondContact O-N 3.35Å; G448-L451 VanDerWaalsContact O-CB 3.31Å; G448-L451 WeakPolarHBondContact O-CB 3.32Å; G448-L451 PolarHBondContact O-N 3.2Å; G448-D452 PolarHBondContact O-N 3.37Å
449	Q	85.4	Confident	89.6	Confident	136 Å²	136	27.6 Å²	27.6	64%	0.636	15%	0.153	S	C	*	.	H	α-helix	trans	-62	-31.4	-176.2	-63.1	178.6	9	0	0	113.6	G447 L451 D452 S453	G447-Q449 PolarHBondContact O-N 3.35Å; Q449-L451 PolarHBondContact O-N 3.36Å; Q449-D452 WeakPolarHBondContact O-CB 3.26Å; Q449-D452 PolarHBondContact O-N 3.28Å; Q449-S453 PolarHBondContact O-N 3.45Å
450	S	88.3	Confident	89.1	Confident	17 Å²	17	33.1 Å²	33.1	12%	0.119	18%	0.177	C	C	.	.	H	α-helix	trans	-66.2	-29.1	176.9	-54.1	0	0	0	0	111.5	G447 G448 S453 L454	G447-S450 PolarHBondContact O-N 3.45Å; G448-S450 VanDerWaalsContact C-N 3.28Å; G448-S450 PolarHBondContact O-N 3.35Å; S450-S453 PolarHBondContact O-N 2.81Å; S450-L454 PolarHBondContact O-N 3.26Å
451	L	90.3	Very high	88.3	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-75	-33.1	174.8	-172.5	59.4	0	0	0	111.9	L446 G448 Q449 L454 L455 I483 R487 L492 L494	L446-L451 HydrophobicContact CD2-CB 4.47Å; L446-L451 HydrophobicContact CD2-CD1 4.08Å; G448-L451 VanDerWaalsContact O-CB 3.31Å; G448-L451 WeakPolarHBondContact O-CB 3.32Å; G448-L451 PolarHBondContact O-N 3.2Å; Q449-L451 PolarHBondContact O-N 3.36Å; L451-L454 HydrophobicContact CD1-CD2 4.07Å; L451-L454 PolarHBondContact O-N 3.29Å; L451-L455 WeakPolarHBondContact O-CG 3.39Å; L451-L455 PolarHBondContact O-N 2.75Å; L451-I483 HydrophobicContact CD1-CD1 4.31Å; L451-I483 HydrophobicContact CD1-CG2 3.85Å; L451-I483 HydrophobicContact CD2-CG2 4.15Å; L451-I483 HydrophobicContact CG-CG2 4.07Å; L451-R487 HydrophobicContact CD2-CG 4.28Å; L451-L492 HydrophobicContact CD2-CB 4.13Å; L451-L492 HydrophobicContact CD2-CD2 4.17Å; L451-L492 HydrophobicContact CD2-CG 4.25Å; L451-L492 WeakPolarHBondContact CD2-O 3.42Å; L451-L494 HydrophobicContact CD1-CD1 3.73Å; L451-L494 HydrophobicContact CD1-CG 3.98Å
452	D	90.1	Very high	87.3	Confident	69 Å²	69	37 Å²	37	37%	0.369	20%	0.196	S	C	.	.	H	α-helix	trans	-61.7	-45.2	169.3	-69.2	-55.7	0	0	0	111.2	G448 Q449 L454 L455 L456 R487	G448-D452 PolarHBondContact O-N 3.37Å; Q449-D452 WeakPolarHBondContact O-CB 3.26Å; Q449-D452 PolarHBondContact O-N 3.28Å; D452-L454 VanDerWaalsContact C-N 3.35Å; D452-L454 PolarHBondContact O-N 3.15Å; D452-L455 PolarHBondContact O-N 2.94Å; D452-L456 WeakPolarHBondContact O-CG 3.02Å; D452-L456 PolarHBondContact O-N 2.81Å; D452-L456 VanDerWaalsContact O-N 3.13Å; D452-R487 IonicContact OD1-CZ 3.3Å; D452-R487 IonicContact OD1-NH1 2.61Å; D452-R487 PolarHBondContact OD1-NH1 3.45Å; D452-R487 IonicContact OD1-NH2 3.88Å; D452-R487 PolarHBondContact OD1-NH2 2.61Å; D452-R487 IonicContact OD2-NH2 3.67Å; D452-R487 PolarHBondContact OD2-NH2 3.34Å
453	S	90.5	Very high	86.1	Confident	46 Å²	46	42.8 Å²	42.8	32%	0.322	23%	0.227	S	C	.	.	H	α-helix	trans	-60.9	-44	176.3	-168.7	0	0	0	0	111.5	H436 Q449 S450 L455 L456 E457	H436-S453 WeakPolarHBondContact NE2-CB 3.46Å; H436-S453 PolarHBondContact NE2-OG 3.48Å; Q449-S453 PolarHBondContact O-N 3.45Å; S450-S453 PolarHBondContact O-N 2.81Å; S453-L455 PolarHBondContact O-N 3.05Å; S453-L456 PolarHBondContact O-N 2.78Å; S453-E457 WeakPolarHBondContact O-CG 3.2Å; S453-E457 PolarHBondContact O-N 3.24Å
454	L	91.6	Very high	84.5	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-57.7	-46.9	174.9	177.4	60.9	0	0	0	111.7	L433 H436 L446 S450 L451 D452 L456 E457 L458 I483 L494	L433-L454 HydrophobicContact CD1-CD1 3.46Å; L433-L454 VanDerWaalsContact CD1-CD1 3.46Å; H436-L454 HydrophobicContact CB-CD1 3.84Å; H436-L454 PolarHBondContact NE2-N 3.36Å; L446-L454 HydrophobicContact CD2-CB 4Å; L446-L454 HydrophobicContact CD2-CD2 3.64Å; L446-L454 HydrophobicContact CD2-CG 4.42Å; S450-L454 PolarHBondContact O-N 3.26Å; L451-L454 HydrophobicContact CD1-CD2 4.07Å; L451-L454 PolarHBondContact O-N 3.29Å; D452-L454 VanDerWaalsContact C-N 3.35Å; D452-L454 PolarHBondContact O-N 3.15Å; L454-L456 VanDerWaalsContact C-N 3.3Å; L454-L456 PolarHBondContact O-N 3.28Å; L454-E457 PolarHBondContact O-N 3.23Å; L454-L458 HydrophobicContact CD1-CD1 4.11Å; L454-L458 HydrophobicContact CD1-CD2 4.29Å; L454-L458 HydrophobicContact CD1-CG 3.95Å; L454-L458 HydrophobicContact CD2-CD1 4.49Å; L454-L458 HydrophobicContact CG-CD1 3.92Å; L454-L458 HydrophobicContact CG-CG 4.21Å; L454-L458 VanDerWaalsContact O-CG 3.3Å; L454-L458 WeakPolarHBondContact O-CG 3.37Å; L454-L458 PolarHBondContact O-N 2.89Å; L454-I483 HydrophobicContact CD2-CD1 4.5Å; L454-L494 HydrophobicContact CD2-CD1 4.03Å
455	L	91	Very high	82.8	Confident	15 Å²	15	49.2 Å²	49.2	8%	0.079	29%	0.288	C	S	.	.	H	α-helix	trans	-60.7	-39.6	-179	-76.6	175.4	0	0	0	112.7	L451 D452 S453 E459 Q480 I483 R484	L451-L455 WeakPolarHBondContact O-CG 3.39Å; L451-L455 PolarHBondContact O-N 2.75Å; D452-L455 PolarHBondContact O-N 2.94Å; S453-L455 PolarHBondContact O-N 3.05Å; L455-E459 PolarHBondContact O-N 3.31Å; L455-E459 VanDerWaalsContact O-N 3.1Å; L455-Q480 HydrophobicContact CD2-CG 3.69Å; L455-Q480 PolarHBondContact O-NE2 3.36Å; L455-Q480 VanDerWaalsContact O-NE2 3.12Å; L455-I483 HydrophobicContact CD1-CG2 4.03Å; L455-I483 HydrophobicContact CD2-CB 4.01Å; L455-I483 HydrophobicContact CD2-CG2 3.7Å; L455-I483 HydrophobicContact CG-CG2 4.05Å; L455-R484 HydrophobicContact CD1-CG 4.16Å; L455-R484 HydrophobicContact CD2-CG 4.12Å
456	L	89	Confident	81	Confident	106 Å²	106	51.6 Å²	51.6	56%	0.555	31%	0.307	S	S	*	.	H	α-helix	trans	-65.8	-40.9	175.4	-69.2	172.3	0	0	0	111.7	D452 S453 L454 E459 K460	D452-L456 WeakPolarHBondContact O-CG 3.02Å; D452-L456 PolarHBondContact O-N 2.81Å; D452-L456 VanDerWaalsContact O-N 3.13Å; S453-L456 PolarHBondContact O-N 2.78Å; L454-L456 VanDerWaalsContact C-N 3.3Å; L454-L456 PolarHBondContact O-N 3.28Å; L456-E459 WeakPolarHBondContact O-CB 3.47Å; L456-E459 PolarHBondContact O-N 3.29Å; L456-K460 WeakPolarHBondContact O-CG 3.35Å; L456-K460 PolarHBondContact O-N 3.27Å
457	E	86.9	Confident	79.1	Confident	18 Å²	18	57.1 Å²	57.1	8%	0.084	34%	0.34	C	S	.	.	H	α-helix	trans	-67.8	-41.2	176.6	-67.4	-55	133.8	0	0	112.3	S430 S432 L433 S453 L454 E459 K460 V461	S430-E457 PolarHBondContact OG-OE2 3.11Å; S432-E457 WeakPolarHBondContact CB-OE2 3.45Å; S432-E457 VanDerWaalsContact OG-CD 3.22Å; S432-E457 PolarHBondContact OG-OE2 3.42Å; L433-E457 HydrophobicContact CB-CB 4.41Å; L433-E457 HydrophobicContact CD1-CB 4.31Å; S453-E457 WeakPolarHBondContact O-CG 3.2Å; S453-E457 PolarHBondContact O-N 3.24Å; L454-E457 PolarHBondContact O-N 3.23Å; E457-E459 PolarHBondContact O-N 3.06Å; E457-K460 PolarHBondContact O-N 3.31Å; E457-K460 IonicContact OE1-NZ 3.36Å; E457-K460 PolarHBondContact OE1-NZ 3.12Å; E457-K460 IonicContact OE2-NZ 3.73Å; E457-V461 PolarHBondContact O-N 3.48Å
458	L	87.6	Confident	77.4	Confident	0 Å²	0	64 Å²	64	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-61.6	-33	174.6	-67.1	175.6	0	0	0	111.8	L424 L433 L454 Q462 I476 L479 Q480	L424-L458 HydrophobicContact CD2-CD2 3.94Å; L433-L458 HydrophobicContact CD1-CD2 3.78Å; L433-L458 HydrophobicContact CD1-CG 4.35Å; L433-L458 HydrophobicContact CD2-CD2 4.11Å; L454-L458 HydrophobicContact CD1-CD1 4.11Å; L454-L458 HydrophobicContact CD1-CD2 4.29Å; L454-L458 HydrophobicContact CD1-CG 3.95Å; L454-L458 HydrophobicContact CD2-CD1 4.49Å; L454-L458 HydrophobicContact CG-CD1 3.92Å; L454-L458 HydrophobicContact CG-CG 4.21Å; L454-L458 VanDerWaalsContact O-CG 3.3Å; L454-L458 WeakPolarHBondContact O-CG 3.37Å; L454-L458 PolarHBondContact O-N 2.89Å; L458-Q462 PolarHBondContact O-N 3.48Å; L458-I476 HydrophobicContact CB-CG2 4.26Å; L458-I476 HydrophobicContact CD2-CG1 4.46Å; L458-I476 HydrophobicContact CD2-CG2 3.97Å; L458-L479 HydrophobicContact CD1-CD2 4.25Å; L458-Q480 HydrophobicContact CB-CB 4.47Å; L458-Q480 HydrophobicContact CB-CG 4.12Å; L458-Q480 HydrophobicContact CD1-CB 4.32Å; L458-Q480 HydrophobicContact CD1-CG 4.4Å
459	E	85.3	Confident	76.5	Confident	83 Å²	83	65.9 Å²	65.9	39%	0.388	38%	0.377	S	S	.	.	H	α-helix	trans	-68.5	-38.8	176.6	-159.8	169.9	153.2	0	0	112.4	L455 L456 E457 V461 Q462 N463 Q480 R484	L455-E459 PolarHBondContact O-N 3.31Å; L455-E459 VanDerWaalsContact O-N 3.1Å; L456-E459 WeakPolarHBondContact O-CB 3.47Å; L456-E459 PolarHBondContact O-N 3.29Å; E457-E459 PolarHBondContact O-N 3.06Å; E459-V461 VanDerWaalsContact C-N 3.34Å; E459-V461 PolarHBondContact O-N 2.91Å; E459-Q462 PolarHBondContact O-N 3.44Å; E459-N463 PolarHBondContact O-N 2.7Å; E459-N463 PolarHBondContact O-ND2 2.73Å; E459-Q480 VanDerWaalsContact CA-NE2 3.3Å; E459-Q480 VanDerWaalsContact CB-NE2 3.32Å; E459-Q480 VanDerWaalsContact N-NE2 3.16Å; E459-R484 IonicContact OE2-NH2 2.71Å; E459-R484 PolarHBondContact OE2-NH2 3.31Å
460	K	82.4	Confident	75.8	Confident	120 Å²	120	64.2 Å²	64.2	52%	0.522	38%	0.376	S	S	.	.	H	α-helix	trans	-62.4	-41.2	176.3	-67.7	171.3	-173.3	173.6	0	111.8	L456 E457 Q462 N463 A464	L456-K460 WeakPolarHBondContact O-CG 3.35Å; L456-K460 PolarHBondContact O-N 3.27Å; E457-K460 PolarHBondContact O-N 3.31Å; E457-K460 IonicContact OE1-NZ 3.36Å; E457-K460 PolarHBondContact OE1-NZ 3.12Å; E457-K460 IonicContact OE2-NZ 3.73Å; K460-Q462 VanDerWaalsContact C-N 3.34Å; K460-Q462 PolarHBondContact O-N 3.42Å; K460-N463 PolarHBondContact O-N 3.48Å; K460-A464 PolarHBondContact O-N 2.87Å
461	V	76.2	Confident	75.1	Confident	27 Å²	27	69.6 Å²	69.6	16%	0.164	40%	0.403	C	S	.	.	H	α-helix	trans	-64.6	-39.5	179.3	176.6	0	0	0	0	111.4	L429 L433 E457 E459 N463 A464 I476	L429-V461 HydrophobicContact CD2-CB 4.47Å; L429-V461 HydrophobicContact CD2-CG1 3.63Å; L429-V461 HydrophobicContact CD2-CG2 3.94Å; L433-V461 HydrophobicContact CD2-CG2 3.87Å; E457-V461 PolarHBondContact O-N 3.48Å; E459-V461 VanDerWaalsContact C-N 3.34Å; E459-V461 PolarHBondContact O-N 2.91Å; V461-N463 PolarHBondContact O-N 2.89Å; V461-A464 PolarHBondContact O-N 3.33Å; V461-A464 VanDerWaalsContact O-N 3.12Å; V461-I476 HydrophobicContact CG1-CD1 3.86Å
462	Q	69.1	Low	74.5	Confident	62 Å²	62	70.4 Å²	70.4	29%	0.29	41%	0.407	S	S	.	.	H	α-helix	trans	-58.9	-33.8	177.1	-179.7	173.3	5.7	0	0	112.6	L458 E459 K460 R477	L458-Q462 PolarHBondContact O-N 3.48Å; E459-Q462 PolarHBondContact O-N 3.44Å; K460-Q462 VanDerWaalsContact C-N 3.34Å; K460-Q462 PolarHBondContact O-N 3.42Å; Q462-R477 HydrophobicContact CG-CG 4.2Å
463	N	64.4	Low	74	Confident	127 Å²	127	68.4 Å²	68.4	68%	0.679	40%	0.397	S	S	*	.	H	α-helix	trans	-81	-17.8	-179.3	-64.9	-24.8	0	0	0	113.2	E459 K460 V461 G465	E459-N463 PolarHBondContact O-N 2.7Å; E459-N463 PolarHBondContact O-ND2 2.73Å; K460-N463 PolarHBondContact O-N 3.48Å; V461-N463 PolarHBondContact O-N 2.89Å; N463-G465 PolarHBondContact O-N 3.4Å
464	A	59.6	Low	73.6	Confident	79 Å²	79	69.3 Å²	69.3	65%	0.653	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-6.6	-173.8	0	0	0	0	0	115	K460 V461 S466	K460-A464 PolarHBondContact O-N 2.87Å; V461-A464 PolarHBondContact O-N 3.33Å; V461-A464 VanDerWaalsContact O-N 3.12Å; A464-S466 PolarHBondContact O-N 3.46Å
465	G	55	Low	73.3	Confident	62 Å²	62	70.5 Å²	70.5	64%	0.639	40%	0.401	S	S	*	.			trans	59.1	25.1	156.3	0	0	0	0	0	118.7	N463 V467	N463-G465 PolarHBondContact O-N 3.4Å; G465-V467 PolarHBondContact O-N 2.95Å
466	S	54.6	Low	73.2	Confident	70 Å²	70	69.9 Å²	69.9	49%	0.49	40%	0.397	S	S	.	.			trans	-71	120.2	177.9	68.9	0	0	0	0	111.4	A464 D468	A464-S466 PolarHBondContact O-N 3.46Å; S466-D468 VanDerWaalsContact C-N 3.28Å; S466-D468 PolarHBondContact O-N 3.45Å
467	V	52.5	Low	73.1	Confident	121 Å²	121	70 Å²	70	73%	0.733	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-63.2	-29.4	-174.5	178.5	0	0	0	0	113.2	G465 L469	G465-V467 PolarHBondContact O-N 2.95Å; V467-L469 PolarHBondContact O-N 3.26Å; V467-L469 VanDerWaalsContact O-N 3.09Å
468	D	53.5	Low	73.4	Confident	155 Å²	155	69.1 Å²	69.1	83%	0.829	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-74.1	-3	-168.5	-66.7	-31	0	0	0	115.1	S466	S466-D468 VanDerWaalsContact C-N 3.28Å; S466-D468 PolarHBondContact O-N 3.45Å
469	L	63.8	Low	73.7	Confident	70 Å²	70	69.2 Å²	69.2	37%	0.366	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-137.8	50.8	-171.1	-70.2	172.6	0	0	0	112.5	V467 L471 H472 T473	V467-L469 PolarHBondContact O-N 3.26Å; V467-L469 VanDerWaalsContact O-N 3.09Å; L469-L471 PolarHBondContact O-N 2.8Å; L469-H472 HydrophobicContact CB-CB 4.08Å; L469-H472 HydrophobicContact CD2-CB 4.48Å; L469-H472 PolarHBondContact O-N 3.07Å; L469-T473 WeakPolarHBondContact O-CB 3.21Å; L469-T473 PolarHBondContact O-N 3.45Å; L469-T473 PolarHBondContact O-OG1 2.68Å
470	T	70.6	Confident	74	Confident	100 Å²	100	65.5 Å²	65.5	61%	0.613	37%	0.369	S	S	*	.	H	α-helix	trans	-58.4	-48	-178.3	55	0	0	0	0	113	H472 T473 Q474	T470-H472 PolarHBondContact O-N 3.38Å; T470-T473 PolarHBondContact O-N 3.27Å; T470-Q474 WeakPolarHBondContact O-CB 3.33Å; T470-Q474 PolarHBondContact O-N 2.87Å
471	L	73.8	Confident	74.5	Confident	131 Å²	131	62.6 Å²	62.6	69%	0.686	36%	0.357	S	S	*	.	H	α-helix	trans	-63.2	-42	179	-67.6	176.8	0	0	0	112	L469 Q474 Y475	L469-L471 PolarHBondContact O-N 2.8Å; L471-Q474 WeakPolarHBondContact O-CB 3.45Å; L471-Q474 PolarHBondContact O-N 3.26Å; L471-Y475 WeakPolarHBondContact O-CB 3.27Å; L471-Y475 PolarHBondContact O-N 3.42Å
472	H	77	Confident	75.5	Confident	17 Å²	17	61.3 Å²	61.3	8%	0.079	35%	0.349	C	S	.	.	H	α-helix	trans	-66.1	-42.9	177.6	-178.3	58.3	0	0	0	111.6	F423 L469 T470 Q474 Y475 I476	F423-H472 PolarHBondContact O-CE1 2.98Å; L469-H472 HydrophobicContact CB-CB 4.08Å; L469-H472 HydrophobicContact CD2-CB 4.48Å; L469-H472 PolarHBondContact O-N 3.07Å; T470-H472 PolarHBondContact O-N 3.38Å; H472-Q474 VanDerWaalsContact C-N 3.3Å; H472-Q474 PolarHBondContact O-N 3.34Å; H472-Y475 PolarHBondContact O-N 3.33Å; H472-I476 WeakPolarHBondContact NE2-CD1 3.17Å; H472-I476 PolarHBondContact O-N 3.31Å
473	T	79	Confident	76.7	Confident	26 Å²	26	58.3 Å²	58.3	16%	0.16	34%	0.335	C	S	.	.	H	α-helix	trans	-60.5	-41	173.6	-54.3	0	0	0	0	111.4	L469 T470 I476 R477	L469-T473 WeakPolarHBondContact O-CB 3.21Å; L469-T473 PolarHBondContact O-N 3.45Å; L469-T473 PolarHBondContact O-OG1 2.68Å; T470-T473 PolarHBondContact O-N 3.27Å; T473-I476 PolarHBondContact O-N 3.2Å; T473-R477 VanDerWaalsContact O-CG 3.3Å; T473-R477 WeakPolarHBondContact O-CG 3.18Å; T473-R477 PolarHBondContact O-N 3.32Å; T473-R477 VanDerWaalsContact O-N 3.08Å
474	Q	82.6	Confident	78.2	Confident	66 Å²	66	56.9 Å²	56.9	31%	0.308	32%	0.32	S	S	.	.	H	α-helix	trans	-62	-49.5	175.2	-176.5	176.9	6.1	0	0	110.9	T470 L471 H472 I476 R477 V478	T470-Q474 WeakPolarHBondContact O-CB 3.33Å; T470-Q474 PolarHBondContact O-N 2.87Å; L471-Q474 WeakPolarHBondContact O-CB 3.45Å; L471-Q474 PolarHBondContact O-N 3.26Å; H472-Q474 VanDerWaalsContact C-N 3.3Å; H472-Q474 PolarHBondContact O-N 3.34Å; Q474-I476 VanDerWaalsContact C-N 3.32Å; Q474-I476 PolarHBondContact O-N 3.28Å; Q474-R477 WeakPolarHBondContact O-CB 3.35Å; Q474-R477 PolarHBondContact O-N 3.02Å; Q474-V478 HydrophobicContact CG-CG2 4.45Å; Q474-V478 WeakPolarHBondContact O-CG2 3.08Å; Q474-V478 PolarHBondContact O-N 2.88Å
475	Y	86.2	Confident	79.8	Confident	25 Å²	25	55.2 Å²	55.2	10%	0.098	30%	0.298	C	S	.	.	H	α-helix	trans	-56.1	-45.3	178.1	-173.2	-87.3	0	0	0	112.2	L420 F423 L471 H472 R477 V478 L479 L740	L420-Y475 HydrophobicContact CD1-CE1 3.6Å; F423-Y475 HydrophobicContact CB-CE1 4.38Å; F423-Y475 HydrophobicContact CD2-CE1 4.27Å; F423-Y475 HydrophobicContact CG-CE1 4.47Å; L471-Y475 WeakPolarHBondContact O-CB 3.27Å; L471-Y475 PolarHBondContact O-N 3.42Å; H472-Y475 PolarHBondContact O-N 3.33Å; Y475-R477 VanDerWaalsContact C-N 3.33Å; Y475-R477 PolarHBondContact O-N 3.37Å; Y475-V478 PolarHBondContact O-N 3.18Å; Y475-L479 WeakPolarHBondContact O-CB 3.36Å; Y475-L479 PolarHBondContact O-N 3.03Å; Y475-L740 HydrophobicContact CD2-CB 4.07Å; Y475-L740 WeakPolarHBondContact CD2-O 3.34Å; Y475-L740 HydrophobicContact CE2-CB 3.51Å; Y475-L740 HydrophobicContact CE2-CD1 4.45Å
476	I	87.4	Confident	81.7	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-57.8	-44.1	174.6	-76	173.9	0	0	0	111.5	L429 L458 V461 H472 T473 Q474 L479 Q480	L429-I476 HydrophobicContact CD2-CD1 4.33Å; L458-I476 HydrophobicContact CB-CG2 4.26Å; L458-I476 HydrophobicContact CD2-CG1 4.46Å; L458-I476 HydrophobicContact CD2-CG2 3.97Å; V461-I476 HydrophobicContact CG1-CD1 3.86Å; H472-I476 WeakPolarHBondContact NE2-CD1 3.17Å; H472-I476 PolarHBondContact O-N 3.31Å; T473-I476 PolarHBondContact O-N 3.2Å; Q474-I476 VanDerWaalsContact C-N 3.32Å; Q474-I476 PolarHBondContact O-N 3.28Å; I476-L479 PolarHBondContact O-N 3.41Å; I476-Q480 VanDerWaalsContact O-CB 3.3Å; I476-Q480 WeakPolarHBondContact O-CB 3.46Å; I476-Q480 PolarHBondContact O-N 3Å
477	R	88.2	Confident	83.4	Confident	109 Å²	109	52.3 Å²	52.3	41%	0.411	26%	0.257	S	S	.	.	H	α-helix	trans	-62.9	-44	178	-71.3	173.4	-174.1	-176.7	0.4	111.9	Q462 T473 Q474 Y475 Q480 K481	Q462-R477 HydrophobicContact CG-CG 4.2Å; T473-R477 VanDerWaalsContact O-CG 3.3Å; T473-R477 WeakPolarHBondContact O-CG 3.18Å; T473-R477 PolarHBondContact O-N 3.32Å; T473-R477 VanDerWaalsContact O-N 3.08Å; Q474-R477 WeakPolarHBondContact O-CB 3.35Å; Q474-R477 PolarHBondContact O-N 3.02Å; Y475-R477 VanDerWaalsContact C-N 3.33Å; Y475-R477 PolarHBondContact O-N 3.37Å; R477-Q480 PolarHBondContact O-N 3.49Å; R477-K481 WeakPolarHBondContact O-CB 3.39Å; R477-K481 PolarHBondContact O-N 3.29Å
478	V	91.9	Very high	85.3	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-45.9	178.4	-174.2	0	0	0	0	110.6	Q474 Y475 Q480 K481 T482 L740 F743 N746	Q474-V478 HydrophobicContact CG-CG2 4.45Å; Q474-V478 WeakPolarHBondContact O-CG2 3.08Å; Q474-V478 PolarHBondContact O-N 2.88Å; Y475-V478 PolarHBondContact O-N 3.18Å; V478-Q480 PolarHBondContact O-N 3.16Å; V478-K481 PolarHBondContact O-N 3.44Å; V478-T482 WeakPolarHBondContact O-CB 3.27Å; V478-T482 PolarHBondContact O-N 2.82Å; V478-T482 PolarHBondContact O-OG1 3.24Å; V478-L740 WeakPolarHBondContact CB-O 3.35Å; V478-L740 HydrophobicContact CG1-CB 4.5Å; V478-L740 HydrophobicContact CG1-CD2 3.92Å; V478-F743 HydrophobicContact CG2-CB 3.75Å; V478-F743 HydrophobicContact CG2-CD2 3.96Å; V478-F743 HydrophobicContact CG2-CG 4.34Å; V478-N746 HydrophobicContact CG1-CB 3.45Å; V478-N746 VanDerWaalsContact CG1-CB 3.45Å
479	L	93.9	Very high	86.9	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-57.2	-50.4	176.1	177	67.3	0	0	0	111.3	L420 L424 L458 Y475 I476 K481 T482 I483 L740	L420-L479 HydrophobicContact CD1-CD1 4.23Å; L420-L479 HydrophobicContact CD1-CD2 3.71Å; L420-L479 HydrophobicContact CD2-CD1 4.31Å; L424-L479 HydrophobicContact CD2-CD2 4.3Å; L458-L479 HydrophobicContact CD1-CD2 4.25Å; Y475-L479 WeakPolarHBondContact O-CB 3.36Å; Y475-L479 PolarHBondContact O-N 3.03Å; I476-L479 PolarHBondContact O-N 3.41Å; L479-K481 PolarHBondContact O-N 3.44Å; L479-T482 PolarHBondContact O-N 2.69Å; L479-I483 HydrophobicContact CD1-CD1 3.87Å; L479-I483 HydrophobicContact CD1-CG1 4.27Å; L479-I483 HydrophobicContact CG-CD1 3.86Å; L479-I483 VanDerWaalsContact O-CG1 3.31Å; L479-I483 WeakPolarHBondContact O-CG1 3.44Å; L479-I483 PolarHBondContact O-N 3.15Å; L479-L740 HydrophobicContact CB-CD1 4.45Å; L479-L740 HydrophobicContact CD1-CD1 3.74Å
480	Q	92.5	Very high	88.1	Confident	5 Å²	5	44.9 Å²	44.9	2%	0.023	23%	0.225	C	C	.	.	H	α-helix	trans	-61.4	-44	-178.5	-163.1	-163.4	40.3	0	0	111.7	L455 L458 E459 I476 R477 V478 R484	L455-Q480 HydrophobicContact CD2-CG 3.69Å; L455-Q480 PolarHBondContact O-NE2 3.36Å; L455-Q480 VanDerWaalsContact O-NE2 3.12Å; L458-Q480 HydrophobicContact CB-CB 4.47Å; L458-Q480 HydrophobicContact CB-CG 4.12Å; L458-Q480 HydrophobicContact CD1-CB 4.32Å; L458-Q480 HydrophobicContact CD1-CG 4.4Å; E459-Q480 VanDerWaalsContact CA-NE2 3.3Å; E459-Q480 VanDerWaalsContact CB-NE2 3.32Å; E459-Q480 VanDerWaalsContact N-NE2 3.16Å; I476-Q480 VanDerWaalsContact O-CB 3.3Å; I476-Q480 WeakPolarHBondContact O-CB 3.46Å; I476-Q480 PolarHBondContact O-N 3Å; R477-Q480 PolarHBondContact O-N 3.49Å; V478-Q480 PolarHBondContact O-N 3.16Å; Q480-R484 VanDerWaalsContact CD-CZ 3.43Å; Q480-R484 VanDerWaalsContact CD-NH2 3.31Å; Q480-R484 WeakPolarHBondContact O-CG 3.44Å; Q480-R484 PolarHBondContact O-N 3.46Å
481	K	93.5	Very high	89	Confident	59 Å²	59	45.1 Å²	45.1	26%	0.257	22%	0.222	S	C	.	.	H	α-helix	trans	-62.5	-44.7	175.1	-179.2	178.5	175.6	179.6	0	111.7	R477 V478 L479 R484 F485 F743 D747	R477-K481 WeakPolarHBondContact O-CB 3.39Å; R477-K481 PolarHBondContact O-N 3.29Å; V478-K481 PolarHBondContact O-N 3.44Å; L479-K481 PolarHBondContact O-N 3.44Å; K481-R484 PolarHBondContact O-N 3.38Å; K481-F485 WeakPolarHBondContact O-CB 3.03Å; K481-F485 PolarHBondContact O-N 3Å; K481-F743 HydrophobicContact CD-CD2 4.46Å; K481-F743 HydrophobicContact CD-CE2 3.57Å; K481-F743 HydrophobicContact CD-CZ 3.77Å; K481-F743 VanDerWaalsContact NZ-CZ 3.29Å; K481-D747 VanDerWaalsContact CE-OD1 3.25Å; K481-D747 WeakPolarHBondContact CE-OD1 3.41Å; K481-D747 IonicContact NZ-OD1 2.76Å; K481-D747 PolarHBondContact NZ-OD1 2.99Å; K481-D747 IonicContact NZ-OD2 3.07Å
482	T	95.8	Very high	90	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.7	-47	179.1	-58.3	0	0	0	0	111.1	V478 L479 R484 F485 L486 L738 L740 N746	V478-T482 WeakPolarHBondContact O-CB 3.27Å; V478-T482 PolarHBondContact O-N 2.82Å; V478-T482 PolarHBondContact O-OG1 3.24Å; L479-T482 PolarHBondContact O-N 2.69Å; T482-R484 PolarHBondContact O-N 3.48Å; T482-F485 PolarHBondContact O-N 2.93Å; T482-L486 HydrophobicContact CG2-CD1 4.23Å; T482-L486 WeakPolarHBondContact O-CG 3.3Å; T482-L486 PolarHBondContact O-N 3.48Å; T482-L738 HydrophobicContact CG2-CD1 3.64Å; T482-L740 HydrophobicContact CG2-CD2 4.25Å; T482-L740 WeakPolarHBondContact OG1-CD2 3.41Å; T482-N746 PolarHBondContact OG1-ND2 3.05Å; T482-N746 PolarHBondContact OG1-OD1 2.51Å
483	I	95.6	Very high	90.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.6	-47.1	177.1	-68.1	169.6	0	0	0	110.4	L451 L454 L455 L479 F485 L486 R487 L492 L494	L451-I483 HydrophobicContact CD1-CD1 4.31Å; L451-I483 HydrophobicContact CD1-CG2 3.85Å; L451-I483 HydrophobicContact CD2-CG2 4.15Å; L451-I483 HydrophobicContact CG-CG2 4.07Å; L454-I483 HydrophobicContact CD2-CD1 4.5Å; L455-I483 HydrophobicContact CD1-CG2 4.03Å; L455-I483 HydrophobicContact CD2-CB 4.01Å; L455-I483 HydrophobicContact CD2-CG2 3.7Å; L455-I483 HydrophobicContact CG-CG2 4.05Å; L479-I483 HydrophobicContact CD1-CD1 3.87Å; L479-I483 HydrophobicContact CD1-CG1 4.27Å; L479-I483 HydrophobicContact CG-CD1 3.86Å; L479-I483 VanDerWaalsContact O-CG1 3.31Å; L479-I483 WeakPolarHBondContact O-CG1 3.44Å; L479-I483 PolarHBondContact O-N 3.15Å; I483-F485 PolarHBondContact O-N 2.91Å; I483-L486 PolarHBondContact O-N 3.43Å; I483-R487 HydrophobicContact CG2-CG 4.4Å; I483-R487 WeakPolarHBondContact O-CB 3.5Å; I483-R487 VanDerWaalsContact O-CG 3.29Å; I483-R487 WeakPolarHBondContact O-CG 3.24Å; I483-R487 PolarHBondContact O-N 3.17Å; I483-L492 HydrophobicContact CB-CD2 4.47Å; I483-L492 HydrophobicContact CG2-CD2 4.08Å; I483-L494 HydrophobicContact CD1-CD1 3.98Å; I483-L494 HydrophobicContact CD1-CD2 4.49Å; I483-L494 HydrophobicContact CG1-CD2 4.3Å
484	R	94.6	Very high	91.7	Very high	96 Å²	96	37.3 Å²	37.3	36%	0.362	18%	0.181	S	C	.	.	H	α-helix	trans	-61.8	-42.4	177.9	-74.3	-168.4	-173.8	107.4	-3.2	112.4	L455 E459 Q480 K481 T482 R487 S488	L455-R484 HydrophobicContact CD1-CG 4.16Å; L455-R484 HydrophobicContact CD2-CG 4.12Å; E459-R484 IonicContact OE2-NH2 2.71Å; E459-R484 PolarHBondContact OE2-NH2 3.31Å; Q480-R484 VanDerWaalsContact CD-CZ 3.43Å; Q480-R484 VanDerWaalsContact CD-NH2 3.31Å; Q480-R484 WeakPolarHBondContact O-CG 3.44Å; Q480-R484 PolarHBondContact O-N 3.46Å; K481-R484 PolarHBondContact O-N 3.38Å; T482-R484 PolarHBondContact O-N 3.48Å; R484-R487 PolarHBondContact O-N 2.78Å; R484-S488 PolarHBondContact O-N 3.37Å
485	F	94.9	Very high	92.2	Very high	44 Å²	44	34.4 Å²	34.4	19%	0.193	17%	0.167	C	C	.	.	H	α-helix	trans	-59.5	-52.6	176.9	165.4	-105.8	0	0	0	111.2	K481 T482 I483 R487 S488 I489 C750 L753 A754	K481-F485 WeakPolarHBondContact O-CB 3.03Å; K481-F485 PolarHBondContact O-N 3Å; T482-F485 PolarHBondContact O-N 2.93Å; I483-F485 PolarHBondContact O-N 2.91Å; F485-R487 VanDerWaalsContact C-N 3.31Å; F485-R487 PolarHBondContact O-N 3.41Å; F485-S488 WeakPolarHBondContact O-CB 3.46Å; F485-S488 PolarHBondContact O-N 3.25Å; F485-S488 VanDerWaalsContact O-N 3.15Å; F485-S488 PolarHBondContact O-OG 3.03Å; F485-I489 HydrophobicContact CE1-CD1 4.16Å; F485-I489 HydrophobicContact CE2-CD1 4.01Å; F485-I489 HydrophobicContact CZ-CD1 3.78Å; F485-C750 HydrophobicContact CD1-CB 3.86Å; F485-C750 HydrophobicContact CD2-CB 4.49Å; F485-C750 HydrophobicContact CE1-CB 3.74Å; F485-C750 HydrophobicContact CE2-CB 4.4Å; F485-C750 HydrophobicContact CG-CB 4.23Å; F485-C750 HydrophobicContact CZ-CB 4.03Å; F485-C750 WeakPolarHBondContact CZ-O 3.25Å; F485-L753 HydrophobicContact CE1-CD2 3.76Å; F485-L753 HydrophobicContact CZ-CB 4.47Å; F485-L753 HydrophobicContact CZ-CD2 4.2Å; F485-A754 HydrophobicContact CE2-CB 4.15Å; F485-A754 HydrophobicContact CZ-CB 4.21Å
486	L	93.8	Very high	92.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.4	-39	179	-68.2	177.2	0	0	0	112.1	L414 T482 I483 S488 I489 A490 L492 L520 L738 L753 L759	L414-L486 HydrophobicContact CB-CD1 4.3Å; L414-L486 HydrophobicContact CD1-CD1 4.17Å; L414-L486 HydrophobicContact CD2-CD1 4.1Å; L414-L486 HydrophobicContact CG-CD1 4.44Å; T482-L486 HydrophobicContact CG2-CD1 4.23Å; T482-L486 WeakPolarHBondContact O-CG 3.3Å; T482-L486 PolarHBondContact O-N 3.48Å; I483-L486 PolarHBondContact O-N 3.43Å; L486-S488 VanDerWaalsContact C-N 3.29Å; L486-S488 PolarHBondContact O-N 2.8Å; L486-I489 WeakPolarHBondContact O-CB 3.46Å; L486-I489 PolarHBondContact O-N 3.36Å; L486-I489 VanDerWaalsContact O-N 3.1Å; L486-A490 PolarHBondContact O-N 3.04Å; L486-L492 HydrophobicContact CB-CD1 4.19Å; L486-L492 HydrophobicContact CB-CD2 3.88Å; L486-L492 HydrophobicContact CD1-CD1 4.1Å; L486-L492 HydrophobicContact CD1-CD2 4.25Å; L486-L520 HydrophobicContact CD2-CD1 4.1Å; L486-L520 HydrophobicContact CD2-CD2 4.39Å; L486-L738 HydrophobicContact CD1-CD1 4.04Å; L486-L753 HydrophobicContact CD2-CD2 4.41Å; L486-L759 HydrophobicContact CD2-CD1 4.13Å
487	R	91.3	Very high	92.7	Very high	72 Å²	72	34.5 Å²	34.5	27%	0.272	17%	0.167	S	C	.	.	H	α-helix	trans	-67.4	-25.3	176.2	-76.6	-169.3	73.5	-166.5	0.3	114.8	L451 D452 I483 R484 F485 I489 A490 L492	L451-R487 HydrophobicContact CD2-CG 4.28Å; D452-R487 IonicContact OD1-CZ 3.3Å; D452-R487 IonicContact OD1-NH1 2.61Å; D452-R487 PolarHBondContact OD1-NH1 3.45Å; D452-R487 IonicContact OD1-NH2 3.88Å; D452-R487 PolarHBondContact OD1-NH2 2.61Å; D452-R487 IonicContact OD2-NH2 3.67Å; D452-R487 PolarHBondContact OD2-NH2 3.34Å; I483-R487 HydrophobicContact CG2-CG 4.4Å; I483-R487 WeakPolarHBondContact O-CB 3.5Å; I483-R487 VanDerWaalsContact O-CG 3.29Å; I483-R487 WeakPolarHBondContact O-CG 3.24Å; I483-R487 PolarHBondContact O-N 3.17Å; R484-R487 PolarHBondContact O-N 2.78Å; F485-R487 VanDerWaalsContact C-N 3.31Å; F485-R487 PolarHBondContact O-N 3.41Å; R487-I489 PolarHBondContact O-N 2.65Å; R487-A490 WeakPolarHBondContact CA-O 3.48Å; R487-L492 HydrophobicContact CG-CB 3.67Å; R487-L492 HydrophobicContact CG-CD2 4.02Å
488	S	90.9	Very high	92.6	Very high	96 Å²	96	31.6 Å²	31.6	67%	0.671	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-15.7	173.4	75.3	0	0	0	0	112.7	R484 F485 L486	R484-S488 PolarHBondContact O-N 3.37Å; F485-S488 WeakPolarHBondContact O-CB 3.46Å; F485-S488 PolarHBondContact O-N 3.25Å; F485-S488 VanDerWaalsContact O-N 3.15Å; F485-S488 PolarHBondContact O-OG 3.03Å; L486-S488 VanDerWaalsContact C-N 3.29Å; L486-S488 PolarHBondContact O-N 2.8Å
489	I	87.9	Confident	92.5	Very high	66 Å²	66	32.4 Å²	32.4	34%	0.338	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-48.5	-176.4	-57.6	174.9	0	0	0	110.6	I412 F485 L486 R487 L759	I412-I489 HydrophobicContact CD1-CG2 4.24Å; F485-I489 HydrophobicContact CE1-CD1 4.16Å; F485-I489 HydrophobicContact CE2-CD1 4.01Å; F485-I489 HydrophobicContact CZ-CD1 3.78Å; L486-I489 WeakPolarHBondContact O-CB 3.46Å; L486-I489 PolarHBondContact O-N 3.36Å; L486-I489 VanDerWaalsContact O-N 3.1Å; R487-I489 PolarHBondContact O-N 2.65Å; I489-L759 HydrophobicContact CD1-CD1 3.4Å; I489-L759 HydrophobicContact CG2-CD1 4.25Å
490	A	88.2	Confident	92.2	Very high	28 Å²	28	32.4 Å²	32.4	23%	0.231	16%	0.164	C	C	.	.	S	Bend	trans	-158.5	172.9	178.3	0	0	0	0	0	111.3	I412 L486 R487 L492	I412-A490 HydrophobicContact CD1-CB 3.78Å; I412-A490 HydrophobicContact CG1-CB 3.93Å; L486-A490 PolarHBondContact O-N 3.04Å; R487-A490 WeakPolarHBondContact CA-O 3.48Å; A490-L492 PolarHBondContact O-N 3.26Å
491	D	91.2	Very high	91.8	Very high	105 Å²	105	35.2 Å²	35.2	56%	0.561	18%	0.178	S	C	*	.			trans	-56.8	135	169.5	-83	-8.4	0	0	0	110.9	K411 I412	K411-D491 WeakPolarHBondContact CA-O 3.48Å; K411-D491 HydrophobicContact CB-CB 4.3Å; K411-D491 WeakPolarHBondContact CB-O 3.38Å; K411-D491 HydrophobicContact CD-CB 4.25Å; K411-D491 HydrophobicContact CG-CB 3.79Å; I412-D491 PolarHBondContact N-O 3.16Å
492	L	94.6	Very high	91.2	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.021	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.9	-173.5	-178.8	67.9	0	0	0	110.9	I412 L414 L451 I483 L486 R487 A490 L494	I412-L492 HydrophobicContact CB-CD1 4.19Å; I412-L492 HydrophobicContact CG2-CD1 3.92Å; I412-L492 WeakPolarHBondContact O-CA 3.21Å; L414-L492 HydrophobicContact CB-CD1 4Å; L451-L492 HydrophobicContact CD2-CB 4.13Å; L451-L492 HydrophobicContact CD2-CD2 4.17Å; L451-L492 HydrophobicContact CD2-CG 4.25Å; L451-L492 WeakPolarHBondContact CD2-O 3.42Å; I483-L492 HydrophobicContact CB-CD2 4.47Å; I483-L492 HydrophobicContact CG2-CD2 4.08Å; L486-L492 HydrophobicContact CB-CD1 4.19Å; L486-L492 HydrophobicContact CB-CD2 3.88Å; L486-L492 HydrophobicContact CD1-CD1 4.1Å; L486-L492 HydrophobicContact CD1-CD2 4.25Å; R487-L492 HydrophobicContact CG-CB 3.67Å; R487-L492 HydrophobicContact CG-CD2 4.02Å; A490-L492 PolarHBondContact O-N 3.26Å; L492-L494 HydrophobicContact CD2-CD2 4.2Å; L492-L494 HydrophobicContact CG-CD2 4.48Å
493	D	94.8	Very high	90.8	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	138.9	162.7	-65.7	-20.8	0	0	0	110	K411 I412 A413 L414 K445 L446 G447 I495 Y516	K411-D493 IonicContact NZ-OD1 3.52Å; K411-D493 IonicContact NZ-OD2 2.91Å; I412-D493 PolarHBondContact O-N 3.11Å; A413-D493 CarbonylContact C-O 3.56Å; A413-D493 WeakPolarHBondContact CA-O 3.08Å; L414-D493 PolarHBondContact N-O 3.34Å; K445-D493 WeakPolarHBondContact CE-OD2 3.26Å; K445-D493 IonicContact NZ-OD2 2.68Å; K445-D493 PolarHBondContact NZ-OD2 2.64Å; L446-D493 WeakPolarHBondContact O-CA 3.18Å; G447-D493 VanDerWaalsContact CA-OD1 3.32Å; G447-D493 WeakPolarHBondContact CA-OD1 3.4Å; D493-I495 HydrophobicContact CB-CG1 4.4Å; D493-Y516 HydrophobicContact CB-CE1 3.84Å; D493-Y516 VanDerWaalsContact OD2-CE1 3.31Å; D493-Y516 WeakPolarHBondContact OD2-CE1 3.48Å; D493-Y516 PolarHBondContact OD2-OH 3.46Å
494	L	95.9	Very high	90.3	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	130.3	166.3	-56.2	-175.1	0	0	0	108.2	L414 F416 L440 K445 L446 L451 L454 I483 L492	L414-L494 HydrophobicContact CB-CD2 3.83Å; L414-L494 HydrophobicContact CD2-CD2 3.78Å; L414-L494 HydrophobicContact CG-CD2 4.23Å; L414-L494 WeakPolarHBondContact O-CA 3.39Å; F416-L494 HydrophobicContact CD1-CB 4.28Å; F416-L494 HydrophobicContact CE1-CB 3.82Å; L440-L494 HydrophobicContact CD2-CB 3.91Å; L440-L494 HydrophobicContact CD2-CD1 4.3Å; K445-L494 CarbonylContact C-O 3.59Å; K445-L494 VanDerWaalsContact CA-O 3.26Å; K445-L494 WeakPolarHBondContact CA-O 3.26Å; L446-L494 HydrophobicContact CB-CB 4.46Å; L446-L494 PolarHBondContact N-O 2.91Å; L446-L494 PolarHBondContact O-N 2.93Å; L451-L494 HydrophobicContact CD1-CD1 3.73Å; L451-L494 HydrophobicContact CD1-CG 3.98Å; L454-L494 HydrophobicContact CD2-CD1 4.03Å; I483-L494 HydrophobicContact CD1-CD1 3.98Å; I483-L494 HydrophobicContact CD1-CD2 4.49Å; I483-L494 HydrophobicContact CG1-CD2 4.3Å; L492-L494 HydrophobicContact CD2-CD2 4.2Å; L492-L494 HydrophobicContact CG-CD2 4.48Å
495	I	94.3	Very high	89.8	Confident	4 Å²	4	37.5 Å²	37.5	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	131.4	-179.5	-50.7	174.9	0	0	0	110.4	A413 L414 L415 F416 G444 K445 D493 L500 Y516	A413-I495 HydrophobicContact CB-CD1 3.74Å; A413-I495 HydrophobicContact CB-CG1 4.43Å; L414-I495 PolarHBondContact O-N 2.83Å; L415-I495 WeakPolarHBondContact CA-O 3.44Å; L415-I495 HydrophobicContact CD2-CB 3.85Å; L415-I495 HydrophobicContact CD2-CG2 4.26Å; F416-I495 VanDerWaalsContact CD1-O 3.23Å; F416-I495 WeakPolarHBondContact CD1-O 3.48Å; F416-I495 WeakPolarHBondContact CE1-O 3.38Å; F416-I495 PolarHBondContact N-O 3.23Å; F416-I495 VanDerWaalsContact N-O 3.1Å; G444-I495 CarbonylContact O-C 3.6Å; G444-I495 WeakPolarHBondContact O-CA 3.11Å; K445-I495 HydrophobicContact CG-CG1 4.34Å; D493-I495 HydrophobicContact CB-CG1 4.4Å; I495-L500 HydrophobicContact CG2-CD1 3.88Å; I495-L500 HydrophobicContact CG2-CD2 3.92Å; I495-L500 HydrophobicContact CG2-CG 3.8Å; I495-Y516 HydrophobicContact CD1-CD2 4.37Å; I495-Y516 HydrophobicContact CD1-CE1 4.35Å; I495-Y516 HydrophobicContact CD1-CE2 3.53Å
496	R	93	Very high	89.5	Confident	30 Å²	30	36.3 Å²	36.3	11%	0.113	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	120.3	175.1	-169.4	168.4	70.8	97.9	3.9	109.7	F416 S418 F441 G444 E498 S499 L500	F416-R496 HydrophobicContact CD2-CB 4.32Å; F416-R496 HydrophobicContact CD2-CG 4.27Å; F416-R496 HydrophobicContact CE1-CB 4.33Å; F416-R496 HydrophobicContact CE2-CB 3.59Å; F416-R496 HydrophobicContact CE2-CG 3.75Å; F416-R496 HydrophobicContact CZ-CB 3.58Å; F416-R496 HydrophobicContact CZ-CG 4.27Å; F416-R496 CarbonylContact O-C 3.59Å; F416-R496 WeakPolarHBondContact O-CA 3.34Å; S418-R496 PolarHBondContact OG-NH1 2.82Å; F441-R496 VanDerWaalsContact O-CZ 3.29Å; F441-R496 PolarHBondContact O-NE 3.35Å; F441-R496 VanDerWaalsContact O-NE 3.08Å; F441-R496 PolarHBondContact O-NH2 3.33Å; G444-R496 PolarHBondContact O-N 3.1Å; R496-E498 VanDerWaalsContact C-N 3.3Å; R496-E498 WeakPolarHBondContact CG-OE2 3.49Å; R496-E498 PolarHBondContact O-N 3.42Å; R496-S499 WeakPolarHBondContact O-CB 3.23Å; R496-S499 PolarHBondContact O-N 2.87Å; R496-S499 PolarHBondContact O-OG 3Å; R496-L500 PolarHBondContact O-N 3Å
497	C	89.6	Confident	89.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-44.3	-51	176	-88.3	0	0	0	0	113.9	F416 S499 L500 A529	F416-C497 WeakPolarHBondContact O-CB 3.37Å; F416-C497 PolarHBondContact O-N 3.25Å; C497-S499 VanDerWaalsContact C-N 3.3Å; C497-S499 PolarHBondContact O-N 3.17Å; C497-L500 WeakPolarHBondContact O-CB 3.4Å; C497-L500 PolarHBondContact O-N 2.85Å; C497-A529 HydrophobicContact CB-CB 3.65Å; C497-A529 WeakPolarHBondContact CB-O 3.46Å; C497-A529 PolarHBondContact SG-O 3.46Å
498	E	87.6	Confident	89.1	Confident	48 Å²	48	34.5 Å²	34.5	22%	0.224	20%	0.195	C	C	.	.	H	α-helix	trans	-71.3	-25	-176	-56.5	93.4	137.8	0	0	112.5	D417 S418 R496 L500 M501	D417-E498 WeakPolarHBondContact CA-OE2 3.4Å; S418-E498 VanDerWaalsContact CB-OE1 3.28Å; S418-E498 WeakPolarHBondContact CB-OE1 3.2Å; S418-E498 PolarHBondContact N-OE1 3.26Å; S418-E498 PolarHBondContact N-OE2 2.89Å; S418-E498 PolarHBondContact OG-OE1 3.29Å; S418-E498 PolarHBondContact OG-OE2 2.93Å; R496-E498 VanDerWaalsContact C-N 3.3Å; R496-E498 WeakPolarHBondContact CG-OE2 3.49Å; R496-E498 PolarHBondContact O-N 3.42Å; E498-L500 VanDerWaalsContact C-N 3.3Å; E498-M501 WeakPolarHBondContact O-CB 3.36Å; E498-M501 PolarHBondContact O-N 3.01Å
499	S	88.9	Confident	89	Confident	16 Å²	16	30.7 Å²	30.7	11%	0.112	17%	0.167	C	C	.	.	H	α-helix	trans	-69.9	-30.6	174.4	71.6	0	0	0	0	112.3	V303 G444 R496 C497 M501 G502	V303-S499 WeakPolarHBondContact CG2-OG 3.48Å; G444-S499 WeakPolarHBondContact CA-OG 3.15Å; G444-S499 PolarHBondContact O-OG 3.07Å; R496-S499 WeakPolarHBondContact O-CB 3.23Å; R496-S499 PolarHBondContact O-N 2.87Å; R496-S499 PolarHBondContact O-OG 3Å; C497-S499 VanDerWaalsContact C-N 3.3Å; C497-S499 PolarHBondContact O-N 3.17Å; S499-M501 VanDerWaalsContact C-N 3.26Å; S499-M501 PolarHBondContact O-N 2.63Å; S499-G502 PolarHBondContact O-N 3Å
500	L	88.4	Confident	89.2	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-68.2	-28.5	172.5	-63.2	174.2	0	0	0	111.1	V303 L415 I495 R496 C497 E498 G502 L503 R508 L511 L512 A531	V303-L500 HydrophobicContact CG2-CD2 4.15Å; L415-L500 HydrophobicContact CD2-CD1 4.1Å; I495-L500 HydrophobicContact CG2-CD1 3.88Å; I495-L500 HydrophobicContact CG2-CD2 3.92Å; I495-L500 HydrophobicContact CG2-CG 3.8Å; R496-L500 PolarHBondContact O-N 3Å; C497-L500 WeakPolarHBondContact O-CB 3.4Å; C497-L500 PolarHBondContact O-N 2.85Å; E498-L500 VanDerWaalsContact C-N 3.3Å; L500-G502 PolarHBondContact O-N 3.44Å; L500-L503 HydrophobicContact CD2-CD1 4.45Å; L500-L503 WeakPolarHBondContact O-CB 3.35Å; L500-L503 PolarHBondContact O-N 2.71Å; L500-R508 HydrophobicContact CB-CG 4.49Å; L500-R508 WeakPolarHBondContact O-CD 3.49Å; L500-R508 WeakPolarHBondContact O-CG 3.32Å; L500-L511 HydrophobicContact CD2-CD2 4.37Å; L500-L512 HydrophobicContact CD1-CD2 4.39Å; L500-A531 HydrophobicContact CB-CB 3.89Å; L500-A531 HydrophobicContact CD1-CB 3.95Å
501	M	83.4	Confident	89.3	Confident	65 Å²	65	28.2 Å²	28.2	32%	0.32	15%	0.148	S	C	.	.	H	α-helix	trans	-62.7	-24.4	176.8	-68.3	-56.7	102.7	0	0	113.3	E498 S499 L503 R508 A531	E498-M501 WeakPolarHBondContact O-CB 3.36Å; E498-M501 PolarHBondContact O-N 3.01Å; S499-M501 VanDerWaalsContact C-N 3.26Å; S499-M501 PolarHBondContact O-N 2.63Å; M501-L503 PolarHBondContact O-N 2.96Å; M501-R508 PolarHBondContact SD-NH1 2.94Å; M501-A531 HydrophobicContact CE-CB 3.02Å
502	G	81.6	Confident	89.4	Confident	46 Å²	46	23.4 Å²	23.4	47%	0.474	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-12	173.5	0	0	0	0	0	114.1	K300 S499 L500	K300-G502 WeakPolarHBondContact CE-O 3.43Å; S499-G502 PolarHBondContact O-N 3Å; L500-G502 PolarHBondContact O-N 3.44Å
503	L	87.3	Confident	89.2	Confident	4 Å²	4	24.1 Å²	24.1	2%	0.021	13%	0.127	C	C	.	.	S	Bend	trans	-98.6	142.1	174	-60.5	174.1	0	0	0	110.3	K300 V303 L318 L500 M501 A507 R508 L511	K300-L503 HydrophobicContact CB-CD2 3.73Å; K300-L503 HydrophobicContact CD-CD2 4.38Å; K300-L503 HydrophobicContact CG-CD2 3.82Å; V303-L503 HydrophobicContact CG1-CD1 3.84Å; V303-L503 HydrophobicContact CG1-CD2 4.12Å; V303-L503 HydrophobicContact CG1-CG 3.99Å; L318-L503 HydrophobicContact CD2-CD2 3.59Å; L500-L503 HydrophobicContact CD2-CD1 4.45Å; L500-L503 WeakPolarHBondContact O-CB 3.35Å; L500-L503 PolarHBondContact O-N 2.71Å; M501-L503 PolarHBondContact O-N 2.96Å; L503-A507 HydrophobicContact CB-CB 4.48Å; L503-R508 HydrophobicContact CB-CG 3.58Å; L503-R508 HydrophobicContact CD1-CG 4.29Å; L503-R508 PolarHBondContact O-NH1 3.04Å; L503-L511 HydrophobicContact CD1-CD2 3.63Å
504	D	84.4	Confident	89	Confident	62 Å²	62	26.9 Å²	26.9	33%	0.332	14%	0.139	S	C	.	.			trans	-60.1	154.3	168.9	58.4	-76.5	0	0	0	111	A506 A507 R508	D504-A506 VanDerWaalsContact C-N 3.26Å; D504-A506 PolarHBondContact O-N 3.15Å; D504-A507 VanDerWaalsContact CG-CB 3.47Å; D504-A507 PolarHBondContact O-N 3.04Å; D504-A507 VanDerWaalsContact O-N 3.17Å; D504-A507 WeakPolarHBondContact OD1-CB 3.31Å; D504-A507 VanDerWaalsContact OD2-CB 3.28Å; D504-A507 WeakPolarHBondContact OD2-CB 3.27Å; D504-A507 PolarHBondContact OD2-N 3.05Å; D504-R508 WeakPolarHBondContact O-CG 3.47Å; D504-R508 PolarHBondContact O-N 3.09Å
505	R	84.7	Confident	88.7	Confident	91 Å²	91	27.6 Å²	27.6	34%	0.343	14%	0.143	S	C	.	.	H	α-helix	trans	-54.9	-43	-175	-179.9	175.5	170.6	98.5	3	111.9	R508 I509 D533	R505-R508 PolarHBondContact O-N 3.18Å; R505-I509 HydrophobicContact CG-CD1 4.03Å; R505-I509 VanDerWaalsContact O-CG1 3.27Å; R505-I509 WeakPolarHBondContact O-CG1 3.23Å; R505-I509 PolarHBondContact O-N 3Å; R505-D533 IonicContact CZ-OD2 3.23Å; R505-D533 IonicContact NH1-OD2 3.6Å; R505-D533 IonicContact NH2-OD2 3.43Å; R505-D533 PolarHBondContact NH2-OD2 3.36Å
506	A	87.5	Confident	88.7	Confident	18 Å²	18	27.7 Å²	27.7	15%	0.149	14%	0.143	C	C	.	.	H	α-helix	trans	-67	-45.4	-179.9	0	0	0	0	0	111.9	D504 I509 R510	D504-A506 VanDerWaalsContact C-N 3.26Å; D504-A506 PolarHBondContact O-N 3.15Å; A506-I509 PolarHBondContact O-N 2.77Å; A506-R510 VanDerWaalsContact CB-NH1 3.32Å; A506-R510 WeakPolarHBondContact O-CG 3.22Å; A506-R510 PolarHBondContact O-N 3.29Å
507	A	88.4	Confident	88.5	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.9	-42	175	0	0	0	0	0	112.6	L318 L503 D504 I509 R510 L511	L318-A507 HydrophobicContact CD2-CB 4.47Å; L503-A507 HydrophobicContact CB-CB 4.48Å; D504-A507 VanDerWaalsContact CG-CB 3.47Å; D504-A507 PolarHBondContact O-N 3.04Å; D504-A507 VanDerWaalsContact O-N 3.17Å; D504-A507 WeakPolarHBondContact OD1-CB 3.31Å; D504-A507 VanDerWaalsContact OD2-CB 3.28Å; D504-A507 WeakPolarHBondContact OD2-CB 3.27Å; D504-A507 PolarHBondContact OD2-N 3.05Å; A507-I509 PolarHBondContact O-N 2.98Å; A507-R510 VanDerWaalsContact CA-NH2 3.31Å; A507-R510 PolarHBondContact O-N 3.48Å; A507-L511 VanDerWaalsContact O-CB 3.29Å; A507-L511 WeakPolarHBondContact O-CB 3.24Å; A507-L511 PolarHBondContact O-N 2.91Å
508	R	89.4	Confident	88.7	Confident	34 Å²	34	28.5 Å²	28.5	13%	0.128	15%	0.146	C	C	.	.	H	α-helix	trans	-55.7	-50.6	173.1	-74.7	-166	-67.5	-130	17.8	111.6	L500 M501 L503 D504 R505 R510 L511 L512	L500-R508 HydrophobicContact CB-CG 4.49Å; L500-R508 WeakPolarHBondContact O-CD 3.49Å; L500-R508 WeakPolarHBondContact O-CG 3.32Å; M501-R508 PolarHBondContact SD-NH1 2.94Å; L503-R508 HydrophobicContact CB-CG 3.58Å; L503-R508 HydrophobicContact CD1-CG 4.29Å; L503-R508 PolarHBondContact O-NH1 3.04Å; D504-R508 WeakPolarHBondContact O-CG 3.47Å; D504-R508 PolarHBondContact O-N 3.09Å; R505-R508 PolarHBondContact O-N 3.18Å; R508-R510 PolarHBondContact O-N 2.67Å; R508-L511 PolarHBondContact O-N 3.45Å; R508-L512 WeakPolarHBondContact O-CB 3.21Å; R508-L512 WeakPolarHBondContact O-CG 3.32Å; R508-L512 PolarHBondContact O-N 2.58Å
509	I	88.9	Confident	88.9	Confident	17 Å²	17	26.2 Å²	26.2	9%	0.087	14%	0.135	C	C	.	.	H	α-helix	trans	-60.2	-49.2	-178.7	-68.4	165.1	0	0	0	109.6	V396 R505 A506 A507 L511 L512 T513 M536	V396-I509 HydrophobicContact CG1-CD1 3.94Å; V396-I509 HydrophobicContact CG1-CG2 4.11Å; R505-I509 HydrophobicContact CG-CD1 4.03Å; R505-I509 VanDerWaalsContact O-CG1 3.27Å; R505-I509 WeakPolarHBondContact O-CG1 3.23Å; R505-I509 PolarHBondContact O-N 3Å; A506-I509 PolarHBondContact O-N 2.77Å; A507-I509 PolarHBondContact O-N 2.98Å; I509-L511 PolarHBondContact O-N 3.44Å; I509-L512 PolarHBondContact O-N 3.24Å; I509-T513 HydrophobicContact CG2-CG2 4.14Å; I509-T513 WeakPolarHBondContact O-CB 3.01Å; I509-T513 WeakPolarHBondContact O-CG2 3.33Å; I509-T513 PolarHBondContact O-N 2.82Å; I509-T513 PolarHBondContact O-OG1 3.05Å; I509-M536 HydrophobicContact CD1-CG 4.12Å; I509-M536 HydrophobicContact CG1-CG 4.48Å; I509-M536 HydrophobicContact CG2-CB 4.31Å
510	R	90.9	Very high	89.2	Confident	34 Å²	34	25.5 Å²	25.5	13%	0.128	13%	0.13	C	C	.	.	H	α-helix	trans	-58.8	-44.2	178	-69.3	-172.7	-56.6	-94	2.1	112.5	V317 Q319 A506 A507 R508 T513 K514	V317-R510 HydrophobicContact CG1-CB 4.22Å; V317-R510 PolarHBondContact O-NE 3.31Å; V317-R510 PolarHBondContact O-NH2 3.21Å; Q319-R510 VanDerWaalsContact NE2-NH1 3.17Å; A506-R510 VanDerWaalsContact CB-NH1 3.32Å; A506-R510 WeakPolarHBondContact O-CG 3.22Å; A506-R510 PolarHBondContact O-N 3.29Å; A507-R510 VanDerWaalsContact CA-NH2 3.31Å; A507-R510 PolarHBondContact O-N 3.48Å; R508-R510 PolarHBondContact O-N 2.67Å; R510-T513 PolarHBondContact O-OG1 2.92Å; R510-K514 WeakPolarHBondContact O-CB 3.38Å; R510-K514 PolarHBondContact O-N 3.43Å; R510-K514 VanDerWaalsContact O-N 3.12Å
511	L	91.2	Very high	89.4	Confident	7 Å²	7	25.4 Å²	25.4	4%	0.037	13%	0.13	C	C	.	.	H	α-helix	trans	-62.2	-48.7	178.5	176.7	66.8	0	0	0	111	V317 L500 L503 A507 R508 I509 N515	V317-L511 HydrophobicContact CG1-CB 3.98Å; V317-L511 HydrophobicContact CG1-CD1 4.35Å; L500-L511 HydrophobicContact CD2-CD2 4.37Å; L503-L511 HydrophobicContact CD1-CD2 3.63Å; A507-L511 VanDerWaalsContact O-CB 3.29Å; A507-L511 WeakPolarHBondContact O-CB 3.24Å; A507-L511 PolarHBondContact O-N 2.91Å; R508-L511 PolarHBondContact O-N 3.45Å; I509-L511 PolarHBondContact O-N 3.44Å; L511-N515 PolarHBondContact O-N 3.41Å
512	L	91.8	Very high	89.9	Confident	5 Å²	5	22.9 Å²	22.9	3%	0.026	12%	0.117	C	C	.	.	H	α-helix	trans	-69.3	-46.2	-174.7	-68.4	177.2	0	0	0	111.7	L500 R508 I509 K514 N515 Y516 I519 V532 I537	L500-L512 HydrophobicContact CD1-CD2 4.39Å; R508-L512 WeakPolarHBondContact O-CB 3.21Å; R508-L512 WeakPolarHBondContact O-CG 3.32Å; R508-L512 PolarHBondContact O-N 2.58Å; I509-L512 PolarHBondContact O-N 3.24Å; L512-K514 VanDerWaalsContact C-N 3.32Å; L512-K514 PolarHBondContact O-N 2.96Å; L512-N515 PolarHBondContact O-N 3.07Å; L512-Y516 HydrophobicContact CD2-CD2 3.88Å; L512-Y516 HydrophobicContact CD2-CE2 4.1Å; L512-Y516 WeakPolarHBondContact O-CB 3.48Å; L512-Y516 PolarHBondContact O-N 2.97Å; L512-I519 HydrophobicContact CB-CD1 4.25Å; L512-I519 HydrophobicContact CD1-CD1 3.93Å; L512-I519 HydrophobicContact CD2-CD1 3.84Å; L512-I519 HydrophobicContact CG-CD1 4.22Å; L512-V532 HydrophobicContact CD1-CG2 3.89Å; L512-I537 HydrophobicContact CB-CD1 4.1Å; L512-I537 WeakPolarHBondContact O-CD1 3.28Å
513	T	90.7	Very high	90.3	Very high	18 Å²	18	20.8 Å²	20.8	11%	0.11	10%	0.096	C	C	.	.	H	α-helix	trans	-70	-27.9	-179.7	59.3	0	0	0	0	112.9	K410 I509 R510 I537	K410-T513 WeakPolarHBondContact CE-O 3.31Å; K410-T513 PolarHBondContact NZ-O 3.13Å; I509-T513 HydrophobicContact CG2-CG2 4.14Å; I509-T513 WeakPolarHBondContact O-CB 3.01Å; I509-T513 WeakPolarHBondContact O-CG2 3.33Å; I509-T513 PolarHBondContact O-N 2.82Å; I509-T513 PolarHBondContact O-OG1 3.05Å; R510-T513 PolarHBondContact O-OG1 2.92Å; T513-I537 HydrophobicContact CG2-CB 4.5Å
514	K	90.7	Very high	90.3	Very high	62 Å²	62	21.7 Å²	21.7	27%	0.27	10%	0.102	S	C	.	.	H	α-helix	trans	-67	-51.7	174.1	-174.6	-170.8	-179.2	-164.6	0	111.4	T309 E313 V317 K410 R510 L512	T309-K514 PolarHBondContact OG1-NZ 3.3Å; E313-K514 IonicContact OE2-NZ 2.76Å; E313-K514 PolarHBondContact OE2-NZ 3.06Å; V317-K514 HydrophobicContact CG2-CD 3.86Å; K410-K514 WeakPolarHBondContact CE-O 3.3Å; R510-K514 WeakPolarHBondContact O-CB 3.38Å; R510-K514 PolarHBondContact O-N 3.43Å; R510-K514 VanDerWaalsContact O-N 3.12Å; L512-K514 VanDerWaalsContact C-N 3.32Å; L512-K514 PolarHBondContact O-N 2.96Å
515	N	90.8	Very high	90.4	Very high	18 Å²	18	19.3 Å²	19.3	10%	0.096	9%	0.089	C	C	.	.	H	α-helix	trans	-93.6	-27.4	-165.6	-67.5	-21.8	0	0	0	114.2	K411 L511 L512	K411-N515 PolarHBondContact N-O 2.61Å; L511-N515 PolarHBondContact O-N 3.41Å; L512-N515 PolarHBondContact O-N 3.07Å
516	Y	92.6	Very high	90.1	Very high	6 Å²	6	16.4 Å²	16.4	2%	0.024	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	138	-169.4	-53.5	-67.9	0	0	0	112.2	K411 A413 K445 D493 I495 L512	K411-Y516 HydrophobicContact CB-CD1 3.87Å; K411-Y516 HydrophobicContact CB-CE1 4.04Å; K411-Y516 CarbonylContact O-C 3.58Å; K411-Y516 VanDerWaalsContact O-CA 3.29Å; K411-Y516 WeakPolarHBondContact O-CA 3.49Å; A413-Y516 HydrophobicContact CB-CD1 3.65Å; A413-Y516 HydrophobicContact CB-CD2 4.16Å; A413-Y516 HydrophobicContact CB-CE1 3.9Å; A413-Y516 HydrophobicContact CB-CE2 4.39Å; A413-Y516 HydrophobicContact CB-CG 3.81Å; K445-Y516 WeakPolarHBondContact CE-OH 3.46Å; K445-Y516 PolarHBondContact NZ-OH 2.82Å; K445-Y516 VanDerWaalsContact NZ-OH 3.15Å; D493-Y516 HydrophobicContact CB-CE1 3.84Å; D493-Y516 VanDerWaalsContact OD2-CE1 3.31Å; D493-Y516 WeakPolarHBondContact OD2-CE1 3.48Å; D493-Y516 PolarHBondContact OD2-OH 3.46Å; I495-Y516 HydrophobicContact CD1-CD2 4.37Å; I495-Y516 HydrophobicContact CD1-CE1 4.35Å; I495-Y516 HydrophobicContact CD1-CE2 3.53Å; L512-Y516 HydrophobicContact CD2-CD2 3.88Å; L512-Y516 HydrophobicContact CD2-CE2 4.1Å; L512-Y516 WeakPolarHBondContact O-CB 3.48Å; L512-Y516 PolarHBondContact O-N 2.97Å
517	R	90.7	Very high	89.1	Confident	43 Å²	43	17.3 Å²	17.3	16%	0.162	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-39.7	171.9	100.8	175.9	172	167.2	-13.8	111.3	K410 K411 L759	K410-R517 HydrophobicContact CB-CB 3.84Å; K411-R517 PolarHBondContact O-N 3.16Å; R517-L759 PolarHBondContact NE-O 2.99Å; R517-L759 VanDerWaalsContact NE-O 3.12Å; R517-L759 PolarHBondContact NH2-O 3.45Å
518	I	91.8	Very high	87.9	Confident	4 Å²	4	22.9 Å²	22.9	2%	0.021	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	143	-176.5	-166.3	164	0	0	0	109.8	I412 A413 A538 L540 L759 L767	I412-I518 HydrophobicContact CD1-CG2 4.36Å; I412-I518 HydrophobicContact CG1-CG2 3.87Å; I412-I518 HydrophobicContact CG2-CG2 4.28Å; A413-I518 PolarHBondContact N-O 3.12Å; A413-I518 VanDerWaalsContact N-O 3.16Å; I518-A538 WeakPolarHBondContact CA-O 3.45Å; I518-A538 HydrophobicContact CB-CB 4.5Å; I518-A538 HydrophobicContact CG1-CB 4.12Å; I518-L540 HydrophobicContact CD1-CD1 3.73Å; I518-L540 HydrophobicContact CD1-CG 4.07Å; I518-L540 HydrophobicContact CG1-CD1 4.48Å; I518-L759 HydrophobicContact CD1-CD2 3.98Å; I518-L759 HydrophobicContact CG2-CD2 4Å; I518-L767 HydrophobicContact CD1-CD2 4.28Å
519	I	93.1	Very high	86.6	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.4	179.6	-57.2	-171.9	0	0	0	108.3	A413 L415 L512 V532 I537 A538 H539 L540	A413-I519 HydrophobicContact CB-CG1 4.2Å; A413-I519 HydrophobicContact CB-CG2 4.35Å; A413-I519 CarbonylContact O-C 3.54Å; A413-I519 WeakPolarHBondContact O-CA 3.5Å; L415-I519 HydrophobicContact CD1-CG2 3.51Å; L415-I519 HydrophobicContact CD2-CG2 4.08Å; L415-I519 HydrophobicContact CG-CG2 3.44Å; L415-I519 VanDerWaalsContact CG-CG2 3.44Å; L512-I519 HydrophobicContact CB-CD1 4.25Å; L512-I519 HydrophobicContact CD1-CD1 3.93Å; L512-I519 HydrophobicContact CD2-CD1 3.84Å; L512-I519 HydrophobicContact CG-CD1 4.22Å; I519-V532 HydrophobicContact CD1-CG1 4.2Å; I519-V532 HydrophobicContact CD1-CG2 4.19Å; I519-I537 HydrophobicContact CD1-CD1 3.8Å; I519-I537 HydrophobicContact CD1-CG1 4.29Å; I519-I537 HydrophobicContact CD1-CG2 3.87Å; I519-I537 HydrophobicContact CG1-CD1 3.92Å; I519-I537 HydrophobicContact CG1-CG1 4.27Å; I519-A538 PolarHBondContact N-O 3.36Å; I519-H539 CarbonylContact O-C 3.59Å; I519-H539 WeakPolarHBondContact O-CA 3.36Å; I519-H539 PolarHBondContact O-CD2 3.13Å; I519-L540 PolarHBondContact O-N 3.24Å
520	L	94.1	Very high	85.4	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	144.9	170	-62.9	104.2	0	0	0	109.5	I412 A413 L414 L415 L486 L540 L738 L753 L759	I412-L520 HydrophobicContact CG2-CD1 3.32Å; A413-L520 PolarHBondContact O-N 3.49Å; L414-L520 CarbonylContact C-O 3.58Å; L414-L520 WeakPolarHBondContact CA-O 3.46Å; L414-L520 HydrophobicContact CD1-CB 3.96Å; L415-L520 PolarHBondContact N-O 3.24Å; L486-L520 HydrophobicContact CD2-CD1 4.1Å; L486-L520 HydrophobicContact CD2-CD2 4.39Å; L520-L540 WeakPolarHBondContact CA-O 3.25Å; L520-L540 HydrophobicContact CD2-CB 4.21Å; L520-L540 HydrophobicContact CD2-CD1 3.99Å; L520-L540 HydrophobicContact CG-CB 4.19Å; L520-L540 HydrophobicContact CG-CD1 4.34Å; L520-L738 HydrophobicContact CB-CD1 4.41Å; L520-L738 HydrophobicContact CD2-CD1 4.06Å; L520-L738 HydrophobicContact CD2-CD2 4.45Å; L520-L738 HydrophobicContact CD2-CG 4.3Å; L520-L753 HydrophobicContact CD2-CD1 4.38Å; L520-L753 HydrophobicContact CD2-CD2 3.86Å; L520-L759 HydrophobicContact CD1-CD2 3.78Å; L520-L759 HydrophobicContact CD2-CD2 3.96Å; L520-L759 HydrophobicContact CG-CD2 4.22Å
521	S	93.4	Very high	84.1	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	146.8	170.6	-71.9	0	0	0	0	111.3	H539 L540 G737 L738	S521-H539 PolarHBondContact OG-NE2 2.81Å; S521-L540 PolarHBondContact N-O 3.49Å; S521-G737 CarbonylContact O-C 3.58Å; S521-G737 WeakPolarHBondContact O-CA 3.46Å; S521-L738 PolarHBondContact O-N 2.86Å
522	I	93.7	Very high	83.3	Confident	11 Å²	11	19.6 Å²	19.6	6%	0.056	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	147.4	163.8	-76.2	153.3	0	0	0	109.5	L414 L415 F416 L420 L525 L738 L740	L414-I522 HydrophobicContact CD1-CD1 4.44Å; L414-I522 HydrophobicContact CD1-CG1 4.04Å; L414-I522 HydrophobicContact CD2-CD1 4.1Å; L414-I522 HydrophobicContact CD2-CG1 4.39Å; L414-I522 HydrophobicContact CG-CD1 4.13Å; L414-I522 HydrophobicContact CG-CG1 4.28Å; L415-I522 PolarHBondContact O-N 3.03Å; F416-I522 HydrophobicContact CB-CD1 3.56Å; L420-I522 HydrophobicContact CD2-CD1 4.3Å; I522-L525 WeakPolarHBondContact O-CD2 3.49Å; I522-L525 WeakPolarHBondContact O-CG 3.49Å; I522-L738 WeakPolarHBondContact CA-O 3.49Å; I522-L740 HydrophobicContact CB-CD1 4.4Å; I522-L740 HydrophobicContact CD1-CD1 3.49Å; I522-L740 VanDerWaalsContact CD1-CD1 3.49Å; I522-L740 HydrophobicContact CD1-CG 4.39Å; I522-L740 HydrophobicContact CG1-CD1 3.62Å; I522-L740 HydrophobicContact CG1-CG 3.97Å; I522-L740 HydrophobicContact CG2-CB 4.45Å; I522-L740 HydrophobicContact CG2-CD1 3.85Å; I522-L740 HydrophobicContact CG2-CG 3.87Å
523	A	90.4	Very high	82.5	Confident	2 Å²	2	20.8 Å²	20.8	2%	0.017	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.1	-175.8	0	0	0	0	0	111.8	Y676 V735 L738 P739	A523-Y676 HydrophobicContact CB-CE1 3.86Å; A523-V735 HydrophobicContact CB-CG1 3.8Å; A523-L738 PolarHBondContact N-O 2.96Å; A523-P739 WeakPolarHBondContact O-CA 3.28Å
524	P	88	Confident	82	Confident	23 Å²	23	20 Å²	20	15%	0.149	10%	0.102	C	C	.	.	S	Bend	cis	-77.3	152.2	-10.6	33.2	-34.2	0	0	0	112.4	K713 V735	P524-K713 HydrophobicContact CG-CD 4.25Å; P524-K713 HydrophobicContact CG-CG 3.93Å; P524-V735 HydrophobicContact CB-CG1 3.92Å
525	L	84.6	Confident	81.3	Confident	12 Å²	12	18.8 Å²	18.8	6%	0.063	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-91.9	155	167.2	-71.5	-176.2	0	0	0	111.5	D417 I522 P542	D417-L525 HydrophobicContact CB-CD2 4.42Å; D417-L525 WeakPolarHBondContact OD2-CA 3.45Å; I522-L525 WeakPolarHBondContact O-CD2 3.49Å; I522-L525 WeakPolarHBondContact O-CG 3.49Å; L525-P542 HydrophobicContact CD1-CG 4.21Å
526	N	78.7	Confident	80.8	Confident	30 Å²	30	20 Å²	20	16%	0.16	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-66.7	151.7	170.3	-58.8	-17.2	0	0	0	112.4	D417 E528 A529 Q596	D417-N526 HydrophobicContact CB-CB 4.3Å; D417-N526 VanDerWaalsContact CG-CG 3.46Å; D417-N526 PolarHBondContact OD1-ND2 3.42Å; D417-N526 PolarHBondContact OD2-N 3.35Å; D417-N526 PolarHBondContact OD2-ND2 3.26Å; D417-N526 PolarHBondContact OD2-OD1 2.96Å; D417-N526 VanDerWaalsContact OD2-OD1 3.11Å; N526-E528 VanDerWaalsContact C-N 3.28Å; N526-E528 PolarHBondContact O-N 3.49Å; N526-A529 HydrophobicContact CB-CB 4.09Å; N526-A529 WeakPolarHBondContact O-CB 3.46Å; N526-A529 PolarHBondContact O-N 3.34Å; N526-Q596 PolarHBondContact ND2-NE2 2.75Å; N526-Q596 PolarHBondContact OD1-NE2 3.3Å; N526-Q596 PolarHBondContact OD1-OE1 2.89Å
527	V	66.2	Low	80.6	Confident	38 Å²	38	20.2 Å²	20.2	23%	0.23	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-40.9	-174.2	176.7	0	0	0	0	113.2	A529 T548 T549	V527-A529 VanDerWaalsContact C-N 3.27Å; V527-A529 PolarHBondContact O-N 3.3Å; V527-T548 WeakPolarHBondContact CA-OG1 3.48Å; V527-T549 HydrophobicContact CB-CG2 4.5Å; V527-T549 HydrophobicContact CG1-CG2 3.46Å; V527-T549 VanDerWaalsContact CG1-CG2 3.46Å; V527-T549 HydrophobicContact CG2-CG2 4.23Å
528	E	65	Low	80.5	Confident	117 Å²	117	18.2 Å²	18.2	55%	0.547	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-2.2	-178.1	-65.7	167.9	-168	0	0	113	P383 N526	P383-E528 WeakPolarHBondContact CG-OE2 3.45Å; N526-E528 VanDerWaalsContact C-N 3.28Å; N526-E528 PolarHBondContact O-N 3.49Å
529	A	61.4	Low	80.5	Confident	1 Å²	1	18.1 Å²	18.1	1%	0.008	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-29.2	-171.8	0	0	0	0	0	113.4	D417 C497 N526 V527 A531	D417-A529 HydrophobicContact CB-CB 3.7Å; C497-A529 HydrophobicContact CB-CB 3.65Å; C497-A529 WeakPolarHBondContact CB-O 3.46Å; C497-A529 PolarHBondContact SG-O 3.46Å; N526-A529 HydrophobicContact CB-CB 4.09Å; N526-A529 WeakPolarHBondContact O-CB 3.46Å; N526-A529 PolarHBondContact O-N 3.34Å; V527-A529 VanDerWaalsContact C-N 3.27Å; V527-A529 PolarHBondContact O-N 3.3Å; A529-A531 PolarHBondContact O-N 3.22Å
530	C	63.4	Low	80.5	Confident	4 Å²	4	18.1 Å²	18.1	3%	0.027	10%	0.1	C	C	.	.			trans	-67.6	110.2	-170.4	-162.5	0	0	0	0	111.5	S545	C530-S545 PolarHBondContact O-OG 2.62Å
531	A	63	Low	80.3	Confident	10 Å²	10	18.2 Å²	18.2	8%	0.083	10%	0.101	C	C	.	.			trans	-96.2	-14.4	-173	0	0	0	0	0	115.1	L500 M501 A529	L500-A531 HydrophobicContact CB-CB 3.89Å; L500-A531 HydrophobicContact CD1-CB 3.95Å; M501-A531 HydrophobicContact CE-CB 3.02Å; A529-A531 PolarHBondContact O-N 3.22Å
532	V	74.6	Confident	80.1	Confident	7 Å²	7	18.7 Å²	18.7	4%	0.042	10%	0.104	C	C	.	.			trans	-109.1	124.8	-158.4	178.3	0	0	0	0	110.1	L415 L512 I519 S534 I537 H539	L415-V532 HydrophobicContact CD1-CB 4.43Å; L415-V532 HydrophobicContact CD1-CG2 3.53Å; L512-V532 HydrophobicContact CD1-CG2 3.89Å; I519-V532 HydrophobicContact CD1-CG1 4.2Å; I519-V532 HydrophobicContact CD1-CG2 4.19Å; V532-S534 PolarHBondContact O-N 3.34Å; V532-I537 HydrophobicContact CG1-CG2 3.49Å; V532-I537 VanDerWaalsContact CG1-CG2 3.49Å; V532-H539 HydrophobicContact CG1-CB 4.15Å
533	D	75.2	Confident	79.5	Confident	31 Å²	31	18.2 Å²	18.2	17%	0.166	10%	0.102	C	C	.	.			trans	-79.4	105.6	166.8	-164.1	-30.5	0	0	0	109.7	R505 S535 M536	R505-D533 IonicContact CZ-OD2 3.23Å; R505-D533 IonicContact NH1-OD2 3.6Å; R505-D533 IonicContact NH2-OD2 3.43Å; R505-D533 PolarHBondContact NH2-OD2 3.36Å; D533-S535 PolarHBondContact O-N 3.33Å; D533-S535 VanDerWaalsContact OD1-CB 3.28Å; D533-S535 WeakPolarHBondContact OD1-CB 3.3Å; D533-S535 PolarHBondContact OD1-N 3.34Å; D533-S535 PolarHBondContact OD1-OG 3.43Å; D533-S535 PolarHBondContact OD2-OG 3.12Å; D533-M536 HydrophobicContact CB-CG 4.31Å; D533-M536 PolarHBondContact O-N 3.31Å
534	S	79.9	Confident	79.1	Confident	2 Å²	2	18.4 Å²	18.4	1%	0.014	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-10.6	179.9	-49.4	0	0	0	0	113.6	V532 H539 L543	V532-S534 PolarHBondContact O-N 3.34Å; S534-H539 PolarHBondContact OG-ND1 2.9Å; S534-L543 PolarHBondContact OG-O 2.81Å; S534-L543 VanDerWaalsContact OG-O 3.14Å
535	S	76.8	Confident	78.5	Confident	36 Å²	36	18.8 Å²	18.8	25%	0.252	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-27.8	173.1	67.3	0	0	0	0	113.1	D533	D533-S535 PolarHBondContact O-N 3.33Å; D533-S535 VanDerWaalsContact OD1-CB 3.28Å; D533-S535 WeakPolarHBondContact OD1-CB 3.3Å; D533-S535 PolarHBondContact OD1-N 3.34Å; D533-S535 PolarHBondContact OD1-OG 3.43Å; D533-S535 PolarHBondContact OD2-OG 3.12Å
536	M	80.8	Confident	78.2	Confident	43 Å²	43	19 Å²	19	21%	0.212	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-39	-173.2	-62.5	-63.8	157	0	0	111.9	V396 V400 I509 D533 R768	V396-M536 HydrophobicContact CG1-SD 4.22Å; V400-M536 HydrophobicContact CG2-SD 4.43Å; I509-M536 HydrophobicContact CD1-CG 4.12Å; I509-M536 HydrophobicContact CG1-CG 4.48Å; I509-M536 HydrophobicContact CG2-CB 4.31Å; D533-M536 HydrophobicContact CB-CG 4.31Å; D533-M536 PolarHBondContact O-N 3.31Å; M536-R768 WeakPolarHBondContact O-CD 3.39Å; M536-R768 PolarHBondContact O-NH1 3.1Å
537	I	87.2	Confident	78.4	Confident	10 Å²	10	18 Å²	18	5%	0.051	10%	0.103	C	C	.	.	S	Bend	trans	-128.7	145	179	-173	157.9	0	0	0	110.8	L512 T513 I519 V532 H539	L512-I537 HydrophobicContact CB-CD1 4.1Å; L512-I537 WeakPolarHBondContact O-CD1 3.28Å; T513-I537 HydrophobicContact CG2-CB 4.5Å; I519-I537 HydrophobicContact CD1-CD1 3.8Å; I519-I537 HydrophobicContact CD1-CG1 4.29Å; I519-I537 HydrophobicContact CD1-CG2 3.87Å; I519-I537 HydrophobicContact CG1-CD1 3.92Å; I519-I537 HydrophobicContact CG1-CG1 4.27Å; V532-I537 HydrophobicContact CG1-CG2 3.49Å; V532-I537 VanDerWaalsContact CG1-CG2 3.49Å; I537-H539 PolarHBondContact O-N 3Å; I537-H539 VanDerWaalsContact O-N 3.1Å
538	A	89.6	Confident	79.1	Confident	2 Å²	2	17.1 Å²	17.1	2%	0.017	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	114.6	174.8	0	0	0	0	0	109.7	I518 I519 A764 L767 R768	I518-A538 WeakPolarHBondContact CA-O 3.45Å; I518-A538 HydrophobicContact CB-CB 4.5Å; I518-A538 HydrophobicContact CG1-CB 4.12Å; I519-A538 PolarHBondContact N-O 3.36Å; A538-A764 HydrophobicContact CB-CB 3.82Å; A538-L767 HydrophobicContact CB-CD2 4.17Å; A538-R768 HydrophobicContact CB-CG 4.38Å
539	H	91.8	Very high	80.1	Confident	1 Å²	1	12 Å²	12	1%	0.005	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	125.6	-174.3	177.4	-137.5	0	0	0	110.6	I519 S521 V532 S534 I537 P542	I519-H539 CarbonylContact O-C 3.59Å; I519-H539 WeakPolarHBondContact O-CA 3.36Å; I519-H539 PolarHBondContact O-CD2 3.13Å; S521-H539 PolarHBondContact OG-NE2 2.81Å; V532-H539 HydrophobicContact CG1-CB 4.15Å; S534-H539 PolarHBondContact OG-ND1 2.9Å; I537-H539 PolarHBondContact O-N 3Å; I537-H539 VanDerWaalsContact O-N 3.1Å; H539-P542 PolarHBondContact CE1-O 2.96Å; H539-P542 PolarHBondContact ND1-O 2.89Å
540	L	92.2	Very high	81.4	Confident	1 Å²	1	12.4 Å²	12.4	1%	0.005	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	84.2	173.6	-70.5	175	0	0	0	108.9	I518 I519 L520 S521 L673 L753 L758 L759 L767	I518-L540 HydrophobicContact CD1-CD1 3.73Å; I518-L540 HydrophobicContact CD1-CG 4.07Å; I518-L540 HydrophobicContact CG1-CD1 4.48Å; I519-L540 PolarHBondContact O-N 3.24Å; L520-L540 WeakPolarHBondContact CA-O 3.25Å; L520-L540 HydrophobicContact CD2-CB 4.21Å; L520-L540 HydrophobicContact CD2-CD1 3.99Å; L520-L540 HydrophobicContact CG-CB 4.19Å; L520-L540 HydrophobicContact CG-CD1 4.34Å; S521-L540 PolarHBondContact N-O 3.49Å; L540-L673 HydrophobicContact CD2-CD2 4.5Å; L540-L753 HydrophobicContact CD1-CD1 3.69Å; L540-L758 HydrophobicContact CD1-CB 4.33Å; L540-L759 HydrophobicContact CD1-CD2 3.95Å; L540-L767 HydrophobicContact CD2-CD1 4.03Å; L540-L767 HydrophobicContact CD2-CD2 3.62Å; L540-L767 HydrophobicContact CG-CD2 3.83Å
541	G	90.6	Very high	82.7	Confident	2 Å²	2	12.4 Å²	12.4	2%	0.021	8%	0.077	C	C	.	.	S	Bend	trans	-179.8	-164.3	-174.8	0	0	0	0	0	111.2	L543 F736	G541-L543 PolarHBondContact O-N 3.38Å; G541-F736 VanDerWaalsContact O-CB 3.26Å; G541-F736 WeakPolarHBondContact O-CB 3.46Å
542	P	88.2	Confident	84.1	Confident	9 Å²	9	12 Å²	12	6%	0.058	7%	0.073	C	C	.	.			trans	-54.6	133.4	178.1	-25.5	34.8	0	0	0	111.7	L525 H539 T544 A547 T548	L525-P542 HydrophobicContact CD1-CG 4.21Å; H539-P542 PolarHBondContact CE1-O 2.96Å; H539-P542 PolarHBondContact ND1-O 2.89Å; P542-T544 PolarHBondContact O-N 2.91Å; P542-A547 HydrophobicContact CB-CB 4.31Å; P542-T548 HydrophobicContact CB-CG2 4.18Å; P542-T548 HydrophobicContact CG-CG2 4.16Å
543	L	82.7	Confident	85	Confident	1 Å²	1	12 Å²	12	1%	0.005	7%	0.073	C	C	.	.	S	Bend	trans	-61.3	-36.5	-174.6	-64.1	170	0	0	0	112.6	S534 G541 A547 F552 L774	S534-L543 PolarHBondContact OG-O 2.81Å; S534-L543 VanDerWaalsContact OG-O 3.14Å; G541-L543 PolarHBondContact O-N 3.38Å; L543-A547 HydrophobicContact CB-CB 4.44Å; L543-F552 HydrophobicContact CD1-CE2 4.23Å; L543-L774 HydrophobicContact CD1-CB 3.66Å; L543-L774 HydrophobicContact CD1-CD1 4.31Å; L543-L774 HydrophobicContact CD2-CB 4.2Å; L543-L774 HydrophobicContact CD2-CD1 4.27Å
544	T	80.3	Confident	85.9	Confident	7 Å²	7	10.5 Å²	10.5	4%	0.043	7%	0.065	C	C	.	.	S	Bend	trans	-151.5	167.5	-176.8	54.2	0	0	0	0	108.5	P542 E546 A547 A775 F778	P542-T544 PolarHBondContact O-N 2.91Å; T544-E546 VanDerWaalsContact C-N 3.28Å; T544-E546 VanDerWaalsContact CB-OE2 3.25Å; T544-E546 WeakPolarHBondContact CB-OE2 3.21Å; T544-E546 PolarHBondContact O-N 2.81Å; T544-A547 WeakPolarHBondContact O-CB 3.48Å; T544-A547 PolarHBondContact O-N 2.92Å; T544-A547 VanDerWaalsContact O-N 3.11Å; T544-A547 PolarHBondContact OG1-N 2.87Å; T544-A775 HydrophobicContact CG2-CB 3.71Å; T544-F778 WeakPolarHBondContact OG1-CE1 3.42Å
545	S	76.4	Confident	86.6	Confident	31 Å²	31	10.4 Å²	10.4	22%	0.217	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-64	-37.5	178	-41.6	0	0	0	0	111.7	C530 A547 T548	C530-S545 PolarHBondContact O-OG 2.62Å; S545-A547 PolarHBondContact O-N 2.8Å; S545-T548 PolarHBondContact O-N 2.9Å; S545-T548 PolarHBondContact O-OG1 2.68Å
546	E	78.1	Confident	87.5	Confident	15 Å²	15	8.7 Å²	8.7	7%	0.07	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-62.2	-22.6	174.1	-58.5	93.3	140.8	0	0	113.7	T544 T548 T549 F778 P803	T544-E546 VanDerWaalsContact C-N 3.28Å; T544-E546 VanDerWaalsContact CB-OE2 3.25Å; T544-E546 WeakPolarHBondContact CB-OE2 3.21Å; T544-E546 PolarHBondContact O-N 2.81Å; E546-T548 PolarHBondContact O-N 2.99Å; E546-T548 VanDerWaalsContact O-N 3.1Å; E546-T549 WeakPolarHBondContact O-CB 3.45Å; E546-T549 PolarHBondContact O-N 3.1Å; E546-T549 PolarHBondContact O-OG1 2.79Å; E546-F778 HydrophobicContact CB-CE1 3.59Å; E546-F778 HydrophobicContact CB-CZ 3.98Å; E546-P803 HydrophobicContact CG-CG 4.12Å
547	A	82.3	Confident	88.2	Confident	10 Å²	10	6.7 Å²	6.7	8%	0.083	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-66.1	-13.2	-177.4	0	0	0	0	0	113	P542 L543 T544 S545 F552 F778	P542-A547 HydrophobicContact CB-CB 4.31Å; L543-A547 HydrophobicContact CB-CB 4.44Å; T544-A547 WeakPolarHBondContact O-CB 3.48Å; T544-A547 PolarHBondContact O-N 2.92Å; T544-A547 VanDerWaalsContact O-N 3.11Å; T544-A547 PolarHBondContact OG1-N 2.87Å; S545-A547 PolarHBondContact O-N 2.8Å; A547-F552 HydrophobicContact CB-CD2 4.08Å; A547-F552 HydrophobicContact CB-CG 4.32Å; A547-F552 WeakPolarHBondContact O-CB 3.49Å; A547-F552 VanDerWaalsContact O-CG 3.3Å; A547-F552 WeakPolarHBondContact O-CG 3.46Å; A547-F778 HydrophobicContact CB-CE1 4.32Å
548	T	81.1	Confident	88.5	Confident	20 Å²	20	8 Å²	8	12%	0.123	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-90.3	-6.2	175.9	60.6	0	0	0	0	113.1	V527 P542 S545 E546	V527-T548 WeakPolarHBondContact CA-OG1 3.48Å; P542-T548 HydrophobicContact CB-CG2 4.18Å; P542-T548 HydrophobicContact CG-CG2 4.16Å; S545-T548 PolarHBondContact O-N 2.9Å; S545-T548 PolarHBondContact O-OG1 2.68Å; E546-T548 PolarHBondContact O-N 2.99Å; E546-T548 VanDerWaalsContact O-N 3.1Å
549	T	85.9	Confident	88.7	Confident	9 Å²	9	12.8 Å²	12.8	6%	0.055	7%	0.07	C	C	.	.	S	Bend	trans	-94.9	170.8	-176.5	72.4	0	0	0	0	112.4	V527 E546 W551 F552 W593	V527-T549 HydrophobicContact CB-CG2 4.5Å; V527-T549 HydrophobicContact CG1-CG2 3.46Å; V527-T549 VanDerWaalsContact CG1-CG2 3.46Å; V527-T549 HydrophobicContact CG2-CG2 4.23Å; E546-T549 WeakPolarHBondContact O-CB 3.45Å; E546-T549 PolarHBondContact O-N 3.1Å; E546-T549 PolarHBondContact O-OG1 2.79Å; T549-W551 PolarHBondContact O-N 3.39Å; T549-W551 WeakPolarHBondContact OG1-CB 3.01Å; T549-W551 PolarHBondContact OG1-N 3.43Å; T549-F552 PolarHBondContact O-N 2.92Å; T549-W593 HydrophobicContact CG2-CH2 3.99Å; T549-W593 HydrophobicContact CG2-CZ2 3.77Å
550	A	90.2	Very high	88.8	Confident	10 Å²	10	13.1 Å²	13.1	8%	0.083	7%	0.072	C	C	.	.	H	α-helix	trans	-57.9	-20	173.6	0	0	0	0	0	113.6	F552 Q553 L554 L568 W593 F620	A550-F552 VanDerWaalsContact C-N 3.26Å; A550-F552 PolarHBondContact O-N 2.98Å; A550-Q553 PolarHBondContact O-N 2.73Å; A550-L554 PolarHBondContact O-N 2.83Å; A550-L568 HydrophobicContact CB-CD1 4.31Å; A550-W593 HydrophobicContact CB-CZ3 4.23Å; A550-F620 HydrophobicContact CB-CB 3.84Å; A550-F620 HydrophobicContact CB-CD1 3.62Å; A550-F620 HydrophobicContact CB-CD2 3.85Å; A550-F620 HydrophobicContact CB-CE1 4.03Å; A550-F620 HydrophobicContact CB-CE2 4.24Å; A550-F620 HydrophobicContact CB-CG 3.51Å; A550-F620 HydrophobicContact CB-CZ 4.33Å
551	W	90.7	Very high	88.7	Confident	3 Å²	3	14.8 Å²	14.8	1%	0.011	9%	0.09	C	C	.	.	H	α-helix	trans	-58.6	-40.7	172.6	-79	126.6	0	0	0	111.9	T549 L554 F555 L568 W593 F778 F781 V782 F785 Q786 P803 P805 V809	T549-W551 PolarHBondContact O-N 3.39Å; T549-W551 WeakPolarHBondContact OG1-CB 3.01Å; T549-W551 PolarHBondContact OG1-N 3.43Å; W551-L554 HydrophobicContact CE3-CD1 4.4Å; W551-L554 PolarHBondContact O-N 2.68Å; W551-F555 WeakPolarHBondContact O-CB 3.37Å; W551-F555 PolarHBondContact O-N 3.44Å; W551-L568 HydrophobicContact CD2-CD2 4.42Å; W551-L568 HydrophobicContact CH2-CD2 4.39Å; W551-L568 HydrophobicContact CZ2-CD2 4.26Å; W551-W593 AromaticContact CD1-CH2 3.46Å; W551-W593 VanDerWaalsContact CD1-CH2 3.46Å; W551-W593 HydrophobicContact CG-CH2 4.3Å; W551-W593 AromaticContact NE1-CH2 3.7Å; W551-F778 HydrophobicContact CB-CE2 3.88Å; W551-F778 HydrophobicContact CB-CZ 3.8Å; W551-F781 HydrophobicContact CE3-CE1 4.25Å; W551-V782 HydrophobicContact CB-CG2 3.95Å; W551-V782 HydrophobicContact CD2-CG1 4.05Å; W551-V782 HydrophobicContact CD2-CG2 3.99Å; W551-V782 HydrophobicContact CE3-CG1 4.47Å; W551-V782 HydrophobicContact CE3-CG2 4.15Å; W551-V782 HydrophobicContact CG-CG1 4.35Å; W551-V782 HydrophobicContact CG-CG2 3.9Å; W551-V782 HydrophobicContact CZ2-CG1 4.28Å; W551-F785 HydrophobicContact CH2-CB 3.73Å; W551-F785 HydrophobicContact CZ3-CB 3.81Å; W551-F785 HydrophobicContact CZ3-CD2 4.29Å; W551-F785 HydrophobicContact CZ3-CG 4.27Å; W551-Q786 HydrophobicContact CH2-CG 4.34Å; W551-Q786 HydrophobicContact CZ2-CG 3.99Å; W551-P803 PolarHBondContact NE1-O 3.09Å; W551-P805 HydrophobicContact CZ2-CB 4.03Å; W551-V809 HydrophobicContact CH2-CG2 3.92Å; W551-V809 HydrophobicContact CZ3-CG2 4.1Å
552	F	91.7	Very high	88.8	Confident	1 Å²	1	16.6 Å²	16.6	0%	0.004	10%	0.099	C	C	.	.	H	α-helix	trans	-68.9	-39	-178.3	-169.4	-104.6	0	0	0	111.9	L543 A547 T549 A550 F555 L556 C734 F736 F778	L543-F552 HydrophobicContact CD1-CE2 4.23Å; A547-F552 HydrophobicContact CB-CD2 4.08Å; A547-F552 HydrophobicContact CB-CG 4.32Å; A547-F552 WeakPolarHBondContact O-CB 3.49Å; A547-F552 VanDerWaalsContact O-CG 3.3Å; A547-F552 WeakPolarHBondContact O-CG 3.46Å; T549-F552 PolarHBondContact O-N 2.92Å; A550-F552 VanDerWaalsContact C-N 3.26Å; A550-F552 PolarHBondContact O-N 2.98Å; F552-F555 HydrophobicContact CD2-CD1 4.09Å; F552-F555 AromaticContact CE2-CD1 3.89Å; F552-F555 HydrophobicContact CE2-CD1 3.89Å; F552-F555 HydrophobicContact CE2-CE1 4.18Å; F552-F555 WeakPolarHBondContact O-CB 3.35Å; F552-F555 PolarHBondContact O-N 3.2Å; F552-L556 VanDerWaalsContact O-CB 3.24Å; F552-L556 WeakPolarHBondContact O-CB 3.22Å; F552-L556 PolarHBondContact O-N 2.81Å; F552-C734 HydrophobicContact CE1-CB 4.27Å; F552-C734 WeakPolarHBondContact CE1-O 3.48Å; F552-F736 AromaticContact CE1-CE2 3.71Å; F552-F736 HydrophobicContact CE1-CE2 3.71Å; F552-F736 HydrophobicContact CE1-CZ 4.39Å; F552-F736 HydrophobicContact CE2-CE2 4.32Å; F552-F736 AromaticContact CZ-CE2 3.45Å; F552-F736 HydrophobicContact CZ-CE2 3.45Å; F552-F736 VanDerWaalsContact CZ-CE2 3.45Å; F552-F736 AromaticContact CZ-CZ 3.88Å; F552-F736 HydrophobicContact CZ-CZ 3.88Å; F552-F778 HydrophobicContact CB-CE2 4.19Å; F552-F778 HydrophobicContact CB-CZ 4.03Å; F552-F778 HydrophobicContact CD2-CD2 4.2Å; F552-F778 HydrophobicContact CD2-CE1 4.39Å; F552-F778 HydrophobicContact CD2-CE2 4.12Å; F552-F778 HydrophobicContact CD2-CG 4.42Å; F552-F778 HydrophobicContact CD2-CZ 4.21Å
553	Q	93.9	Very high	89	Confident	7 Å²	7	16.9 Å²	16.9	3%	0.033	10%	0.104	C	C	.	.	H	α-helix	trans	-61.2	-47.2	173.2	-65.6	-179.5	-71.3	0	0	111.1	A550 F555 L556 Y557 F620 F732	A550-Q553 PolarHBondContact O-N 2.73Å; Q553-F555 VanDerWaalsContact C-N 3.34Å; Q553-F555 PolarHBondContact O-N 3.11Å; Q553-L556 WeakPolarHBondContact O-CB 3.29Å; Q553-L556 PolarHBondContact O-N 3.21Å; Q553-Y557 HydrophobicContact CB-CE1 4.39Å; Q553-Y557 HydrophobicContact CB-CE2 4.06Å; Q553-Y557 PolarHBondContact NE2-OH 2.86Å; Q553-Y557 WeakPolarHBondContact O-CB 3.38Å; Q553-Y557 VanDerWaalsContact O-CD1 3.22Å; Q553-Y557 WeakPolarHBondContact O-CD1 3.44Å; Q553-Y557 WeakPolarHBondContact O-CD2 3.39Å; Q553-Y557 PolarHBondContact O-N 3.04Å; Q553-F620 HydrophobicContact CB-CE1 4.36Å; Q553-F620 HydrophobicContact CB-CZ 4.41Å; Q553-F620 VanDerWaalsContact OE1-CE1 3.23Å; Q553-F732 PolarHBondContact NE2-O 3.28Å
554	L	94.4	Very high	89.5	Confident	0 Å²	0	17 Å²	17	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.8	-40.8	176.3	-73.9	174.2	0	0	0	112.7	A550 W551 S558 L568 F620 F781 V809 F811	A550-L554 PolarHBondContact O-N 2.83Å; W551-L554 HydrophobicContact CE3-CD1 4.4Å; W551-L554 PolarHBondContact O-N 2.68Å; L554-S558 VanDerWaalsContact O-CB 3.29Å; L554-S558 WeakPolarHBondContact O-CB 3.32Å; L554-S558 PolarHBondContact O-N 3.16Å; L554-L568 HydrophobicContact CD1-CB 3.99Å; L554-L568 HydrophobicContact CD1-CD2 3.94Å; L554-F620 HydrophobicContact CD1-CE2 4.33Å; L554-F620 HydrophobicContact CD2-CE2 4.02Å; L554-F620 HydrophobicContact CD2-CZ 4.4Å; L554-F620 HydrophobicContact CG-CE2 4Å; L554-F620 HydrophobicContact CG-CZ 4.34Å; L554-F781 HydrophobicContact CB-CE1 4Å; L554-F781 HydrophobicContact CB-CZ 4.05Å; L554-F781 WeakPolarHBondContact O-CZ 3.26Å; L554-V809 HydrophobicContact CD1-CB 4.1Å; L554-V809 HydrophobicContact CD1-CG1 3.95Å; L554-F811 HydrophobicContact CD2-CB 3.82Å
555	F	93.9	Very high	90.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.3	-50.4	174	167.7	-106.4	0	0	0	110.6	W551 F552 Q553 Y557 S558 R559 Y667 L668 Q777 F778 F781	W551-F555 WeakPolarHBondContact O-CB 3.37Å; W551-F555 PolarHBondContact O-N 3.44Å; F552-F555 HydrophobicContact CD2-CD1 4.09Å; F552-F555 AromaticContact CE2-CD1 3.89Å; F552-F555 HydrophobicContact CE2-CD1 3.89Å; F552-F555 HydrophobicContact CE2-CE1 4.18Å; F552-F555 WeakPolarHBondContact O-CB 3.35Å; F552-F555 PolarHBondContact O-N 3.2Å; Q553-F555 VanDerWaalsContact C-N 3.34Å; Q553-F555 PolarHBondContact O-N 3.11Å; F555-Y557 PolarHBondContact O-N 3.49Å; F555-S558 PolarHBondContact O-N 2.91Å; F555-R559 HydrophobicContact CD2-CG 3.89Å; F555-R559 HydrophobicContact CE2-CG 3.67Å; F555-R559 HydrophobicContact CG-CG 4.49Å; F555-R559 HydrophobicContact CZ-CG 4.07Å; F555-R559 WeakPolarHBondContact O-CB 3.29Å; F555-R559 VanDerWaalsContact O-CG 3.25Å; F555-R559 WeakPolarHBondContact O-CG 3.49Å; F555-R559 PolarHBondContact O-N 3.38Å; F555-Y667 HydrophobicContact CE1-CE1 4.35Å; F555-Y667 AromaticContact CZ-CE1 3.9Å; F555-Y667 HydrophobicContact CZ-CE1 3.9Å; F555-L668 HydrophobicContact CE1-CD2 4.34Å; F555-Q777 HydrophobicContact CE2-CB 4.36Å; F555-Q777 HydrophobicContact CZ-CB 4.31Å; F555-F778 HydrophobicContact CB-CD2 3.69Å; F555-F778 HydrophobicContact CB-CE2 3.93Å; F555-F778 HydrophobicContact CD1-CB 4.48Å; F555-F778 AromaticContact CD1-CD2 3.94Å; F555-F778 HydrophobicContact CD1-CD2 3.94Å; F555-F778 HydrophobicContact CD2-CD2 4.14Å; F555-F778 HydrophobicContact CE1-CB 4.34Å; F555-F778 HydrophobicContact CE2-CB 4.42Å; F555-F778 AromaticContact CG-CD2 3.66Å; F555-F778 HydrophobicContact CG-CD2 3.66Å; F555-F778 HydrophobicContact CG-CE2 4.39Å; F555-F778 HydrophobicContact CZ-CB 4.3Å; F555-F781 HydrophobicContact CB-CD1 3.67Å; F555-F781 HydrophobicContact CB-CE1 3.83Å; F555-F781 HydrophobicContact CB-CG 4.13Å; F555-F781 HydrophobicContact CB-CZ 4.39Å; F555-F781 HydrophobicContact CD2-CB 3.67Å; F555-F781 HydrophobicContact CD2-CD1 4.14Å; F555-F781 HydrophobicContact CD2-CD2 4.17Å; F555-F781 AromaticContact CD2-CG 3.74Å; F555-F781 HydrophobicContact CD2-CG 3.74Å; F555-F781 HydrophobicContact CE2-CB 4.29Å; F555-F781 HydrophobicContact CG-CD1 4.41Å; F555-F781 HydrophobicContact CG-CG 4.44Å
556	L	95	Very high	91.1	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-56.3	-50.4	178.3	-179.2	64.8	0	0	0	110.9	F552 Q553 S558 R559 V560 L668 L731 C734	F552-L556 VanDerWaalsContact O-CB 3.24Å; F552-L556 WeakPolarHBondContact O-CB 3.22Å; F552-L556 PolarHBondContact O-N 2.81Å; Q553-L556 WeakPolarHBondContact O-CB 3.29Å; Q553-L556 PolarHBondContact O-N 3.21Å; L556-S558 VanDerWaalsContact C-N 3.35Å; L556-S558 PolarHBondContact O-N 3.2Å; L556-R559 PolarHBondContact O-N 3.37Å; L556-V560 HydrophobicContact CD1-CG2 3.78Å; L556-V560 HydrophobicContact CG-CG2 4.49Å; L556-V560 WeakPolarHBondContact O-CB 3.46Å; L556-V560 WeakPolarHBondContact O-CG2 3.16Å; L556-V560 PolarHBondContact O-N 3.29Å; L556-L668 HydrophobicContact CD1-CD1 3.82Å; L556-L731 HydrophobicContact CD1-CD2 3.98Å; L556-L731 HydrophobicContact CD2-CD1 4.15Å; L556-L731 HydrophobicContact CD2-CD2 3.84Å; L556-L731 HydrophobicContact CD2-CG 3.89Å; L556-L731 HydrophobicContact CG-CD2 3.66Å; L556-L731 HydrophobicContact CG-CG 4.24Å; L556-C734 HydrophobicContact CD1-CB 4.38Å; L556-C734 HydrophobicContact CD2-CB 3.86Å
557	Y	96.2	Very high	91.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63	-42.2	-179	-56.6	-18.5	0	0	0	111.9	Q553 F555 R559 G561 D562 P564 S566 F620 Q622 L731 F732 F811	Q553-Y557 HydrophobicContact CB-CE1 4.39Å; Q553-Y557 HydrophobicContact CB-CE2 4.06Å; Q553-Y557 PolarHBondContact NE2-OH 2.86Å; Q553-Y557 WeakPolarHBondContact O-CB 3.38Å; Q553-Y557 VanDerWaalsContact O-CD1 3.22Å; Q553-Y557 WeakPolarHBondContact O-CD1 3.44Å; Q553-Y557 WeakPolarHBondContact O-CD2 3.39Å; Q553-Y557 PolarHBondContact O-N 3.04Å; F555-Y557 PolarHBondContact O-N 3.49Å; Y557-R559 VanDerWaalsContact C-N 3.33Å; Y557-R559 PolarHBondContact O-N 2.8Å; Y557-G561 VanDerWaalsContact O-CA 3.24Å; Y557-G561 WeakPolarHBondContact O-CA 3.38Å; Y557-G561 PolarHBondContact O-N 3.25Å; Y557-D562 WeakPolarHBondContact CA-O 3.41Å; Y557-D562 WeakPolarHBondContact CD1-O 3.46Å; Y557-D562 PolarHBondContact O-N 3.2Å; Y557-P564 HydrophobicContact CE2-CG 4.17Å; Y557-S566 WeakPolarHBondContact CE2-OG 3.49Å; Y557-F620 HydrophobicContact CE2-CZ 4.43Å; Y557-Q622 PolarHBondContact OH-NE2 2.84Å; Y557-L731 WeakPolarHBondContact CE1-O 3.48Å; Y557-F732 WeakPolarHBondContact CE1-O 3.43Å; Y557-F732 PolarHBondContact OH-O 2.94Å; Y557-F811 VanDerWaalsContact C-CE2 3.44Å; Y557-F811 HydrophobicContact CD2-CD1 4.05Å; Y557-F811 HydrophobicContact CD2-CE1 4.46Å; Y557-F811 HydrophobicContact CD2-CG 4.22Å; Y557-F811 HydrophobicContact CG-CD1 4.37Å; Y557-F811 HydrophobicContact CG-CE1 4.37Å; Y557-F811 WeakPolarHBondContact O-CE2 3.17Å
558	S	93.8	Very high	92.5	Very high	39 Å²	39	14.8 Å²	14.8	27%	0.273	9%	0.089	S	C	.	.	H	α-helix	trans	-67.4	-31.7	179	-172.5	0	0	0	0	113.2	L554 F555 L556	L554-S558 VanDerWaalsContact O-CB 3.29Å; L554-S558 WeakPolarHBondContact O-CB 3.32Å; L554-S558 PolarHBondContact O-N 3.16Å; F555-S558 PolarHBondContact O-N 2.91Å; L556-S558 VanDerWaalsContact C-N 3.35Å; L556-S558 PolarHBondContact O-N 3.2Å
559	R	93.3	Very high	93.1	Very high	102 Å²	102	13.8 Å²	13.8	39%	0.385	8%	0.083	S	C	.	.	H	α-helix	trans	-87.9	-38.5	-177.7	-65.4	-57	-175.6	-164.3	-5.1	112.9	F555 L556 Y557 Y667	F555-R559 HydrophobicContact CD2-CG 3.89Å; F555-R559 HydrophobicContact CE2-CG 3.67Å; F555-R559 HydrophobicContact CG-CG 4.49Å; F555-R559 HydrophobicContact CZ-CG 4.07Å; F555-R559 WeakPolarHBondContact O-CB 3.29Å; F555-R559 VanDerWaalsContact O-CG 3.25Å; F555-R559 WeakPolarHBondContact O-CG 3.49Å; F555-R559 PolarHBondContact O-N 3.38Å; L556-R559 PolarHBondContact O-N 3.37Å; Y557-R559 VanDerWaalsContact C-N 3.33Å; Y557-R559 PolarHBondContact O-N 2.8Å; R559-Y667 HydrophobicContact CB-CD1 3.95Å; R559-Y667 HydrophobicContact CB-CD2 4.18Å; R559-Y667 HydrophobicContact CB-CE1 3.6Å; R559-Y667 HydrophobicContact CB-CE2 3.81Å; R559-Y667 HydrophobicContact CB-CG 4.26Å; R559-Y667 WeakPolarHBondContact CD-OH 3.2Å; R559-Y667 HydrophobicContact CG-CE1 3.7Å; R559-Y667 HydrophobicContact CG-CE2 4.08Å; R559-Y667 VanDerWaalsContact CG-CZ 3.44Å; R559-Y667 WeakPolarHBondContact CG-OH 3.43Å; R559-Y667 PolarHBondContact NE-OH 3Å
560	V	93.5	Very high	93.4	Very high	8 Å²	8	16.3 Å²	16.3	5%	0.048	10%	0.095	C	C	.	.	H	α-helix	trans	-82.7	-21.5	177.9	179.8	0	0	0	0	111.8	L556 V660 R663 A664 L731	L556-V560 HydrophobicContact CD1-CG2 3.78Å; L556-V560 HydrophobicContact CG-CG2 4.49Å; L556-V560 WeakPolarHBondContact O-CB 3.46Å; L556-V560 WeakPolarHBondContact O-CG2 3.16Å; L556-V560 PolarHBondContact O-N 3.29Å; V560-V660 HydrophobicContact CG1-CG2 3.59Å; V560-R663 HydrophobicContact CG1-CB 3.84Å; V560-R663 PolarHBondContact O-NE 2.75Å; V560-A664 HydrophobicContact CG1-CB 4.46Å; V560-A664 HydrophobicContact CG2-CB 4.05Å; V560-L731 HydrophobicContact CB-CD2 3.93Å; V560-L731 HydrophobicContact CG1-CD2 3.76Å; V560-L731 HydrophobicContact CG2-CD2 4.04Å
561	G	90.4	Very high	93.5	Very high	36 Å²	36	21 Å²	21	37%	0.371	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	23.3	179.6	0	0	0	0	0	113.5	Y557	Y557-G561 VanDerWaalsContact O-CA 3.24Å; Y557-G561 WeakPolarHBondContact O-CA 3.38Å; Y557-G561 PolarHBondContact O-N 3.25Å
562	D	92	Very high	93.5	Very high	39 Å²	39	23.8 Å²	23.8	21%	0.209	14%	0.143	C	C	.	.			trans	-150.3	143.3	-178	-171.4	76.6	0	0	0	111.2	Y557 V660 L731	Y557-D562 WeakPolarHBondContact CA-O 3.41Å; Y557-D562 WeakPolarHBondContact CD1-O 3.46Å; Y557-D562 PolarHBondContact O-N 3.2Å; D562-V660 HydrophobicContact CB-CB 4.5Å; D562-V660 HydrophobicContact CB-CG2 3.23Å; D562-V660 WeakPolarHBondContact OD2-CG2 3.29Å; D562-L731 PolarHBondContact OD2-N 3.26Å
563	G	92.9	Very high	93.5	Very high	16 Å²	16	26 Å²	26	17%	0.165	15%	0.151	C	C	.	.			trans	163.4	165.3	178.4	0	0	0	0	0	111.3	L731	G563-L731 WeakPolarHBondContact CA-O 3.45Å
564	P	93.3	Very high	93.4	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.019	18%	0.183	C	C	.	.			trans	-63.3	153.3	174.8	28.7	-36.5	0	0	0	111.2	Y557 S566 Q622 V682 L731 F732	Y557-P564 HydrophobicContact CE2-CG 4.17Å; P564-S566 PolarHBondContact O-N 3.34Å; P564-S566 PolarHBondContact O-OG 3.21Å; P564-Q622 HydrophobicContact CB-CB 4.49Å; P564-Q622 HydrophobicContact CG-CB 4.42Å; P564-Q622 VanDerWaalsContact CG-NE2 3.33Å; P564-V682 HydrophobicContact CB-CG2 4.24Å; P564-L731 VanDerWaalsContact CD-O 3.25Å; P564-L731 WeakPolarHBondContact CD-O 3.36Å; P564-F732 HydrophobicContact CG-CD2 4.48Å
565	L	94.2	Very high	93.2	Very high	15 Å²	15	34.7 Å²	34.7	8%	0.079	18%	0.184	C	C	.	.			trans	-53.7	116.2	170.8	173.7	72.2	0	0	0	108.7	P581 F582 Y585 Q622 G623 I812	L565-P581 HydrophobicContact CD1-CB 3.84Å; L565-P581 VanDerWaalsContact CD2-C 3.4Å; L565-P581 HydrophobicContact CD2-CB 3.56Å; L565-P581 HydrophobicContact CG-CB 4.39Å; L565-F582 HydrophobicContact CD2-CB 4.3Å; L565-F582 HydrophobicContact CD2-CD1 3.93Å; L565-F582 HydrophobicContact CD2-CD2 3.69Å; L565-F582 HydrophobicContact CD2-CE1 4.12Å; L565-F582 HydrophobicContact CD2-CE2 3.89Å; L565-F582 HydrophobicContact CD2-CG 3.7Å; L565-F582 HydrophobicContact CD2-CZ 4.1Å; L565-F582 HydrophobicContact CG-CD2 4.37Å; L565-F582 HydrophobicContact CG-CE1 4.33Å; L565-F582 HydrophobicContact CG-CE2 4.06Å; L565-F582 HydrophobicContact CG-CZ 4.03Å; L565-Y585 HydrophobicContact CB-CE2 3.78Å; L565-Y585 HydrophobicContact CD2-CD2 3.96Å; L565-Y585 HydrophobicContact CD2-CE2 3.49Å; L565-Y585 VanDerWaalsContact CD2-CE2 3.49Å; L565-Y585 HydrophobicContact CG-CE2 4.27Å; L565-Q622 CarbonylContact O-C 3.56Å; L565-Q622 VanDerWaalsContact O-CA 3.24Å; L565-Q622 WeakPolarHBondContact O-CA 3.13Å; L565-G623 PolarHBondContact O-N 2.92Å; L565-I812 HydrophobicContact CD1-CB 4.24Å; L565-I812 HydrophobicContact CD1-CD1 4.42Å; L565-I812 HydrophobicContact CD1-CG1 3.74Å; L565-I812 HydrophobicContact CD1-CG2 4.12Å
566	S	95.7	Very high	93	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	144.5	-171.2	-58	0	0	0	0	112.3	Y557 P564 L621 Q622 S810 F811	Y557-S566 WeakPolarHBondContact CE2-OG 3.49Å; P564-S566 PolarHBondContact O-N 3.34Å; P564-S566 PolarHBondContact O-OG 3.21Å; S566-L621 CarbonylContact C-O 3.6Å; S566-L621 VanDerWaalsContact CA-O 3.23Å; S566-L621 WeakPolarHBondContact CA-O 3.48Å; S566-Q622 PolarHBondContact OG-NE2 3.37Å; S566-S810 CarbonylContact O-C 3.58Å; S566-S810 WeakPolarHBondContact O-CA 3.5Å; S566-F811 PolarHBondContact N-O 3.14Å; S566-F811 PolarHBondContact O-N 3Å
567	L	95.3	Very high	92.8	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	112.4	178.1	176.4	63.5	0	0	0	110.2	L569 P579 F582 L621 V809 W819	L567-L569 HydrophobicContact CD1-CD2 4Å; L567-L569 HydrophobicContact CD2-CD1 4.4Å; L567-L569 HydrophobicContact CD2-CD2 3.93Å; L567-L569 HydrophobicContact CD2-CG 4.23Å; L567-L569 HydrophobicContact CG-CD2 3.83Å; L567-L569 HydrophobicContact CG-CG 3.98Å; L567-P579 HydrophobicContact CD2-CG 3.78Å; L567-F582 HydrophobicContact CB-CE2 3.73Å; L567-F582 HydrophobicContact CB-CZ 3.73Å; L567-F582 HydrophobicContact CD2-CE2 4.07Å; L567-L621 HydrophobicContact CB-CB 4.32Å; L567-L621 HydrophobicContact CD2-CD1 4.28Å; L567-L621 PolarHBondContact N-O 2.81Å; L567-L621 PolarHBondContact O-N 2.8Å; L567-V809 CarbonylContact C-O 3.56Å; L567-V809 WeakPolarHBondContact CA-O 3.44Å; L567-W819 HydrophobicContact CD1-CB 3.84Å; L567-W819 HydrophobicContact CD1-CD2 4.05Å; L567-W819 HydrophobicContact CD1-CG 3.62Å
568	L	94.3	Very high	92.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	122.3	170.6	-176.8	60.6	0	0	0	109.1	A550 W551 L554 W593 F620 P805 N808 V809	A550-L568 HydrophobicContact CB-CD1 4.31Å; W551-L568 HydrophobicContact CD2-CD2 4.42Å; W551-L568 HydrophobicContact CH2-CD2 4.39Å; W551-L568 HydrophobicContact CZ2-CD2 4.26Å; L554-L568 HydrophobicContact CD1-CB 3.99Å; L554-L568 HydrophobicContact CD1-CD2 3.94Å; L568-W593 HydrophobicContact CD1-CE3 4.28Å; L568-W593 HydrophobicContact CD1-CZ3 4.14Å; L568-W593 HydrophobicContact CD2-CZ3 4.44Å; L568-F620 HydrophobicContact CB-CD2 3.88Å; L568-F620 HydrophobicContact CB-CE2 4.4Å; L568-F620 HydrophobicContact CD1-CB 4.03Å; L568-F620 HydrophobicContact CD1-CD2 4.15Å; L568-P805 HydrophobicContact CD1-CG 4.35Å; L568-P805 HydrophobicContact CD2-CB 3.9Å; L568-P805 HydrophobicContact CD2-CG 4.32Å; L568-P805 HydrophobicContact CG-CB 4.19Å; L568-P805 HydrophobicContact CG-CG 4.35Å; L568-N808 CarbonylContact O-C 3.55Å; L568-N808 WeakPolarHBondContact O-CA 3.41Å; L568-V809 HydrophobicContact CB-CB 4.43Å; L568-V809 PolarHBondContact N-O 3.14Å; L568-V809 PolarHBondContact O-N 3.1Å
569	L	94.5	Very high	92.1	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.3	179.7	-65.7	176.9	0	0	0	110.4	L567 Y573 L575 I610 L614 A618 V619 L621 N808	L567-L569 HydrophobicContact CD1-CD2 4Å; L567-L569 HydrophobicContact CD2-CD1 4.4Å; L567-L569 HydrophobicContact CD2-CD2 3.93Å; L567-L569 HydrophobicContact CD2-CG 4.23Å; L567-L569 HydrophobicContact CG-CD2 3.83Å; L567-L569 HydrophobicContact CG-CG 3.98Å; L569-Y573 HydrophobicContact CD1-CD1 4.43Å; L569-Y573 HydrophobicContact CD2-CD1 3.84Å; L569-Y573 HydrophobicContact CD2-CE1 4Å; L569-L575 HydrophobicContact CD1-CD1 4.49Å; L569-L575 HydrophobicContact CD1-CD2 4.22Å; L569-I610 HydrophobicContact CD1-CG2 4.33Å; L569-L614 HydrophobicContact CB-CD1 4.26Å; L569-L614 HydrophobicContact CB-CD2 3.64Å; L569-L614 HydrophobicContact CD1-CD1 3.78Å; L569-A618 CarbonylContact O-C 3.54Å; L569-A618 VanDerWaalsContact O-CA 3.24Å; L569-A618 WeakPolarHBondContact O-CA 3.37Å; L569-A618 VanDerWaalsContact O-CB 3.27Å; L569-A618 WeakPolarHBondContact O-CB 3.3Å; L569-V619 PolarHBondContact N-O 3.45Å; L569-V619 PolarHBondContact O-N 3.3Å; L569-L621 HydrophobicContact CD1-CD1 3.73Å; L569-L621 HydrophobicContact CG-CD1 4.49Å; L569-N808 VanDerWaalsContact CA-OD1 3.29Å; L569-N808 WeakPolarHBondContact CA-OD1 3.16Å; L569-N808 HydrophobicContact CD2-CB 4.09Å
570	M	92.4	Very high	91.8	Very high	62 Å²	62	51.8 Å²	51.8	31%	0.305	26%	0.255	S	S	.	.			trans	-72.1	151	176.3	70.4	-175.6	-171.8	0	0	111.7	Y573 L614 P805 R806 N808	M570-Y573 HydrophobicContact CE-CD2 4.28Å; M570-Y573 WeakPolarHBondContact O-CB 3.38Å; M570-Y573 PolarHBondContact O-N 3.44Å; M570-L614 WeakPolarHBondContact O-CD2 3.42Å; M570-P805 VanDerWaalsContact CB-O 3.3Å; M570-P805 WeakPolarHBondContact CB-O 3.35Å; M570-R806 VanDerWaalsContact SD-O 3.32Å; M570-N808 WeakPolarHBondContact CG-OD1 3.31Å; M570-N808 PolarHBondContact N-OD1 3.48Å
571	K	91.2	Very high	91.6	Very high	109 Å²	109	53.3 Å²	53.3	47%	0.474	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	141.8	172.2	-178.3	179.4	176.3	165.6	0	111.3	Y573 L615 H616 Y804	K571-Y573 PolarHBondContact O-N 3.04Å; K571-L615 WeakPolarHBondContact CE-O 3.38Å; K571-H616 VanDerWaalsContact CD-O 3.26Å; K571-H616 WeakPolarHBondContact CD-O 3.48Å; K571-H616 WeakPolarHBondContact CE-O 3.48Å; K571-H616 PolarHBondContact NZ-O 2.91Å; K571-Y804 HydrophobicContact CB-CE1 3.67Å; K571-Y804 WeakPolarHBondContact CB-OH 3.17Å; K571-Y804 HydrophobicContact CD-CE1 4.49Å
572	G	90.9	Very high	91.6	Very high	60 Å²	60	51.8 Å²	51.8	62%	0.619	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.9	-7.2	-177.9	0	0	0	0	0	114.2	R574 L614	G572-R574 PolarHBondContact O-N 3.04Å; G572-L614 PolarHBondContact N-O 3.22Å
573	Y	91.3	Very high	91.4	Very high	48 Å²	48	55.7 Å²	55.7	19%	0.188	26%	0.264	C	S	.	.			trans	-70.2	129.3	174	-173.3	-99	0	0	0	110.6	L569 M570 K571 L575 L614 N808	L569-Y573 HydrophobicContact CD1-CD1 4.43Å; L569-Y573 HydrophobicContact CD2-CD1 3.84Å; L569-Y573 HydrophobicContact CD2-CE1 4Å; M570-Y573 HydrophobicContact CE-CD2 4.28Å; M570-Y573 WeakPolarHBondContact O-CB 3.38Å; M570-Y573 PolarHBondContact O-N 3.44Å; K571-Y573 PolarHBondContact O-N 3.04Å; Y573-L575 HydrophobicContact CE1-CB 4.32Å; Y573-L575 HydrophobicContact CE1-CD1 3.96Å; Y573-L614 WeakPolarHBondContact O-CB 3.43Å; Y573-L614 VanDerWaalsContact O-CD1 3.26Å; Y573-L614 WeakPolarHBondContact O-CD1 2.78Å; Y573-N808 WeakPolarHBondContact CD2-ND2 3.48Å; Y573-N808 VanDerWaalsContact CE2-ND2 3.26Å; Y573-N808 WeakPolarHBondContact CE2-ND2 3.49Å
574	R	92	Very high	91.1	Very high	184 Å²	184	63.1 Å²	63.1	69%	0.694	29%	0.287	S	S	*	.			trans	-100.7	106.2	175.7	-171.6	178.1	179.8	100	-0.5	110.6	G572 K576	G572-R574 PolarHBondContact O-N 3.04Å; R574-K576 PolarHBondContact O-N 3.33Å; R574-K576 VanDerWaalsContact O-N 3.17Å
575	L	90.8	Very high	90.9	Very high	5 Å²	5	65.3 Å²	65.3	3%	0.026	30%	0.295	C	S	.	.			trans	-74.1	104.5	175.6	-168.9	66.5	0	0	0	109.9	L569 Y573 R577 L578 L607 I610 N611 L621	L569-L575 HydrophobicContact CD1-CD1 4.49Å; L569-L575 HydrophobicContact CD1-CD2 4.22Å; Y573-L575 HydrophobicContact CE1-CB 4.32Å; Y573-L575 HydrophobicContact CE1-CD1 3.96Å; L575-R577 WeakPolarHBondContact CD1-O 3.3Å; L575-R577 WeakPolarHBondContact CG-O 3.5Å; L575-L578 HydrophobicContact CD2-CD1 4.35Å; L575-L607 HydrophobicContact CB-CD1 4.07Å; L575-L607 HydrophobicContact CD2-CD1 3.76Å; L575-L607 HydrophobicContact CG-CD1 3.77Å; L575-L607 VanDerWaalsContact O-CD1 3.28Å; L575-L607 WeakPolarHBondContact O-CD1 3.31Å; L575-I610 HydrophobicContact CD2-CG2 4.24Å; L575-N611 PolarHBondContact N-OD1 2.91Å; L575-N611 PolarHBondContact O-ND2 3.1Å; L575-N611 PolarHBondContact O-OD1 3.05Å; L575-L621 HydrophobicContact CD2-CD1 4.44Å
576	K	90.5	Very high	90.8	Very high	183 Å²	183	67.5 Å²	67.5	80%	0.796	31%	0.312	S	S	*	.	S	Bend	trans	-75.1	-30.3	-179.3	-65.5	-178.8	-178.4	174.7	0	113.5	R574	R574-K576 PolarHBondContact O-N 3.33Å; R574-K576 VanDerWaalsContact O-N 3.17Å
577	R	89.8	Confident	90.6	Very high	170 Å²	170	67.6 Å²	67.6	64%	0.642	31%	0.312	S	S	*	.	S	Bend	trans	-149.6	143	-179.1	61.1	-177.5	178.6	-179.3	-1.6	108.9	L575	L575-R577 WeakPolarHBondContact CD1-O 3.3Å; L575-R577 WeakPolarHBondContact CG-O 3.5Å
578	L	88.2	Confident	90.4	Very high	20 Å²	20	67.6 Å²	67.6	11%	0.105	31%	0.312	C	S	.	.			trans	-65.3	131.4	171.4	-168.2	69.8	0	0	0	109.3	L575 F582 T603	L575-L578 HydrophobicContact CD2-CD1 4.35Å; L578-F582 HydrophobicContact CD1-CB 4.09Å; L578-F582 HydrophobicContact CD1-CG 4.29Å; L578-F582 HydrophobicContact CD2-CB 3.74Å; L578-F582 HydrophobicContact CG-CB 3.7Å; L578-F582 HydrophobicContact CG-CG 4.41Å; L578-T603 HydrophobicContact CD2-CG2 3.37Å
579	P	88.1	Confident	90.3	Very high	9 Å²	9	67.6 Å²	67.6	6%	0.058	31%	0.312	C	S	.	.			trans	-58.3	145.9	-178.2	-23.2	32.7	0	0	0	112.3	L567 P581 F582 W819	L567-P579 HydrophobicContact CD2-CG 3.78Å; P579-P581 VanDerWaalsContact C-N 3.31Å; P579-F582 HydrophobicContact CB-CD2 4.04Å; P579-F582 HydrophobicContact CG-CD2 4.06Å; P579-F582 HydrophobicContact CG-CE2 4.45Å; P579-F582 WeakPolarHBondContact O-CB 3.41Å; P579-F582 PolarHBondContact O-N 3.04Å; P579-W819 HydrophobicContact CB-CH2 3.7Å; P579-W819 HydrophobicContact CB-CZ2 3.65Å; P579-W819 HydrophobicContact CG-CH2 4.19Å; P579-W819 HydrophobicContact CG-CZ2 3.66Å
580	Q	87.4	Confident	90.2	Very high	120 Å²	120	67.7 Å²	67.7	56%	0.561	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-53.4	-39.1	-176.9	-64.7	-72.1	1.8	0	0	114.1	F582 K583	Q580-F582 VanDerWaalsContact C-N 3.26Å; Q580-F582 PolarHBondContact O-N 2.86Å; Q580-K583 WeakPolarHBondContact O-CB 3.34Å; Q580-K583 PolarHBondContact O-N 3.44Å; Q580-K583 VanDerWaalsContact O-N 3.12Å; Q580-K583 VanDerWaalsContact OE1-CD 3.26Å; Q580-K583 VanDerWaalsContact OE1-CE 3.23Å
581	P	88.9	Confident	90.2	Very high	39 Å²	39	66 Å²	66	25%	0.253	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-58.8	-35	177.2	-27.3	37.8	0	0	0	113.7	L565 P579 K583 R584 I812	L565-P581 HydrophobicContact CD1-CB 3.84Å; L565-P581 VanDerWaalsContact CD2-C 3.4Å; L565-P581 HydrophobicContact CD2-CB 3.56Å; L565-P581 HydrophobicContact CG-CB 4.39Å; P579-P581 VanDerWaalsContact C-N 3.31Å; P581-K583 VanDerWaalsContact C-N 3.25Å; P581-K583 PolarHBondContact O-N 2.87Å; P581-R584 PolarHBondContact O-N 3.35Å; P581-I812 HydrophobicContact CG-CD1 4.32Å
582	F	89.8	Confident	90.1	Very high	4 Å²	4	61.4 Å²	61.4	2%	0.018	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-70.1	-20.5	179.5	-79.7	-88.3	0	0	0	113.1	L565 L567 L578 P579 Q580 R584 Y585 V588 L621	L565-F582 HydrophobicContact CD2-CB 4.3Å; L565-F582 HydrophobicContact CD2-CD1 3.93Å; L565-F582 HydrophobicContact CD2-CD2 3.69Å; L565-F582 HydrophobicContact CD2-CE1 4.12Å; L565-F582 HydrophobicContact CD2-CE2 3.89Å; L565-F582 HydrophobicContact CD2-CG 3.7Å; L565-F582 HydrophobicContact CD2-CZ 4.1Å; L565-F582 HydrophobicContact CG-CD2 4.37Å; L565-F582 HydrophobicContact CG-CE1 4.33Å; L565-F582 HydrophobicContact CG-CE2 4.06Å; L565-F582 HydrophobicContact CG-CZ 4.03Å; L567-F582 HydrophobicContact CB-CE2 3.73Å; L567-F582 HydrophobicContact CB-CZ 3.73Å; L567-F582 HydrophobicContact CD2-CE2 4.07Å; L578-F582 HydrophobicContact CD1-CB 4.09Å; L578-F582 HydrophobicContact CD1-CG 4.29Å; L578-F582 HydrophobicContact CD2-CB 3.74Å; L578-F582 HydrophobicContact CG-CB 3.7Å; L578-F582 HydrophobicContact CG-CG 4.41Å; P579-F582 HydrophobicContact CB-CD2 4.04Å; P579-F582 HydrophobicContact CG-CD2 4.06Å; P579-F582 HydrophobicContact CG-CE2 4.45Å; P579-F582 WeakPolarHBondContact O-CB 3.41Å; P579-F582 PolarHBondContact O-N 3.04Å; Q580-F582 VanDerWaalsContact C-N 3.26Å; Q580-F582 PolarHBondContact O-N 2.86Å; F582-R584 PolarHBondContact O-N 3.4Å; F582-R584 VanDerWaalsContact O-N 3.15Å; F582-Y585 WeakPolarHBondContact O-CB 3.33Å; F582-Y585 PolarHBondContact O-N 2.98Å; F582-V588 HydrophobicContact CD1-CG1 4.36Å; F582-V588 HydrophobicContact CD1-CG2 4.03Å; F582-V588 HydrophobicContact CE1-CG1 4.19Å; F582-L621 HydrophobicContact CE1-CB 4.11Å; F582-L621 HydrophobicContact CZ-CB 4Å
583	K	87.1	Confident	89.9	Confident	122 Å²	122	60.3 Å²	60.3	53%	0.53	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-67	-13.8	178.5	-63.1	-170.5	-175	169.6	0	114	Q580 P581 Y585	Q580-K583 WeakPolarHBondContact O-CB 3.34Å; Q580-K583 PolarHBondContact O-N 3.44Å; Q580-K583 VanDerWaalsContact O-N 3.12Å; Q580-K583 VanDerWaalsContact OE1-CD 3.26Å; Q580-K583 VanDerWaalsContact OE1-CE 3.23Å; P581-K583 VanDerWaalsContact C-N 3.25Å; P581-K583 PolarHBondContact O-N 2.87Å; K583-Y585 PolarHBondContact O-N 3.45Å
584	R	87	Confident	89.1	Confident	172 Å²	172	60.1 Å²	60.1	65%	0.649	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-76.4	-9.8	173.3	-62	-178.6	-179.9	176.6	-1	112.7	P581 F582 N625	P581-R584 PolarHBondContact O-N 3.35Å; F582-R584 PolarHBondContact O-N 3.4Å; F582-R584 VanDerWaalsContact O-N 3.15Å; R584-N625 PolarHBondContact O-OD1 3.43Å
585	Y	90	Very high	88.1	Confident	49 Å²	49	54.8 Å²	54.8	19%	0.192	27%	0.266	C	S	.	.			trans	-108.5	138.9	-176.3	-61.1	-82.3	0	0	0	110.9	L565 F582 K583 S587 T603 G623 N625 V682	L565-Y585 HydrophobicContact CB-CE2 3.78Å; L565-Y585 HydrophobicContact CD2-CD2 3.96Å; L565-Y585 HydrophobicContact CD2-CE2 3.49Å; L565-Y585 VanDerWaalsContact CD2-CE2 3.49Å; L565-Y585 HydrophobicContact CG-CE2 4.27Å; F582-Y585 WeakPolarHBondContact O-CB 3.33Å; F582-Y585 PolarHBondContact O-N 2.98Å; K583-Y585 PolarHBondContact O-N 3.45Å; Y585-S587 VanDerWaalsContact C-N 3.34Å; Y585-T603 WeakPolarHBondContact O-CB 3.35Å; Y585-T603 PolarHBondContact O-OG1 2.89Å; Y585-G623 VanDerWaalsContact CD1-C 3.42Å; Y585-N625 VanDerWaalsContact CA-OD1 3.25Å; Y585-N625 WeakPolarHBondContact CA-OD1 3.26Å; Y585-V682 HydrophobicContact CD1-CG1 4.25Å; Y585-V682 HydrophobicContact CE1-CG1 3.51Å
586	S	90.8	Very high	86.8	Confident	61 Å²	61	57.9 Å²	57.9	43%	0.427	28%	0.28	S	S	.	.	S	Bend	trans	-73.3	-29.7	175.7	59.3	0	0	0	0	112.6	T603 L624 N625	S586-T603 WeakPolarHBondContact O-CB 3.35Å; S586-T603 PolarHBondContact O-N 2.77Å; S586-T603 PolarHBondContact O-OG1 2.71Å; S586-T603 VanDerWaalsContact O-OG1 3.12Å; S586-L624 PolarHBondContact N-O 3.06Å; S586-N625 PolarHBondContact N-OD1 3.39Å; S586-N625 WeakPolarHBondContact OG-CA 3.4Å
587	S	91.6	Very high	86.1	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.014	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	160.4	-176.8	-59	0	0	0	0	112.4	Y585 L601 T603 L624 C626	Y585-S587 VanDerWaalsContact C-N 3.34Å; S587-L601 CarbonylContact C-O 3.53Å; S587-L601 WeakPolarHBondContact CA-O 3.33Å; S587-T603 PolarHBondContact N-OG1 2.64Å; S587-L624 CarbonylContact C-O 3.5Å; S587-L624 PolarHBondContact N-O 3.17Å; S587-L624 PolarHBondContact O-N 3.09Å; S587-C626 VanDerWaalsContact CB-O 3.22Å; S587-C626 WeakPolarHBondContact CB-O 3.26Å; S587-C626 PolarHBondContact OG-O 2.98Å
588	V	92.2	Very high	85.9	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.1	174.7	-175.3	0	0	0	0	108.5	F582 V590 L601 L621 Q622	F582-V588 HydrophobicContact CD1-CG1 4.36Å; F582-V588 HydrophobicContact CD1-CG2 4.03Å; F582-V588 HydrophobicContact CE1-CG1 4.19Å; V588-V590 HydrophobicContact CB-CG2 4.47Å; V588-V590 HydrophobicContact CG1-CG2 4.05Å; V588-L601 PolarHBondContact N-O 3.06Å; V588-L601 PolarHBondContact O-N 3.49Å; V588-L621 HydrophobicContact CG1-CB 3.95Å; V588-L621 HydrophobicContact CG1-CD2 4.15Å; V588-Q622 CarbonylContact C-O 3.52Å; V588-Q622 WeakPolarHBondContact CA-O 3.25Å
589	L	92.4	Very high	85.9	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	122.9	166.6	-172.9	69.9	0	0	0	108.4	P598 I600 L621 Q622 L624 P711 F732	L589-P598 HydrophobicContact CD1-CB 3.7Å; L589-P598 HydrophobicContact CD1-CG 4.14Å; L589-P598 HydrophobicContact CG-CB 4.11Å; L589-I600 HydrophobicContact CD1-CD1 4.07Å; L589-I600 HydrophobicContact CD1-CG1 3.43Å; L589-I600 VanDerWaalsContact CD1-CG1 3.43Å; L589-L621 CarbonylContact O-C 3.49Å; L589-L621 WeakPolarHBondContact O-CA 3.36Å; L589-Q622 HydrophobicContact CB-CB 4.22Å; L589-Q622 PolarHBondContact N-O 3.3Å; L589-Q622 PolarHBondContact O-N 2.82Å; L589-L624 HydrophobicContact CB-CD1 3.81Å; L589-P711 HydrophobicContact CD2-CG 3.99Å; L589-F732 HydrophobicContact CD2-CE2 3.77Å; L589-F732 HydrophobicContact CD2-CZ 3.8Å
590	V	92.8	Very high	85.9	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	111.5	-176.1	-176.1	0	0	0	0	108.6	V588 P598 S599 L601 I610 L613 V619 L621	V588-V590 HydrophobicContact CB-CG2 4.47Å; V588-V590 HydrophobicContact CG1-CG2 4.05Å; V590-P598 WeakPolarHBondContact O-CA 3.4Å; V590-S599 PolarHBondContact N-O 2.91Å; V590-S599 PolarHBondContact O-N 2.91Å; V590-S599 PolarHBondContact O-OG 3.08Å; V590-L601 HydrophobicContact CB-CD1 4.43Å; V590-L601 HydrophobicContact CG2-CD1 3.8Å; V590-L601 HydrophobicContact CG2-CG 4.13Å; V590-I610 HydrophobicContact CG1-CG1 4.34Å; V590-I610 HydrophobicContact CG2-CD1 4.36Å; V590-I610 HydrophobicContact CG2-CG1 4.1Å; V590-L613 HydrophobicContact CG1-CD1 3.65Å; V590-V619 HydrophobicContact CG1-CG1 3.47Å; V590-V619 VanDerWaalsContact CG1-CG1 3.47Å; V590-L621 HydrophobicContact CB-CD2 4.24Å; V590-L621 HydrophobicContact CG1-CD2 3.94Å; V590-L621 HydrophobicContact CG2-CD2 3.74Å
591	T	91	Very high	86.1	Confident	26 Å²	26	40.8 Å²	40.8	16%	0.16	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	114.1	177.8	-49.2	0	0	0	0	108.6	P598 F620	T591-P598 WeakPolarHBondContact OG1-CB 3.39Å; T591-F620 PolarHBondContact N-O 3.36Å; T591-F620 PolarHBondContact O-N 3.03Å
592	S	89.9	Confident	86.2	Confident	14 Å²	14	46.3 Å²	46.3	10%	0.098	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	144.3	173.5	163.3	0	0	0	0	110.2	T595 S617	S592-T595 WeakPolarHBondContact CB-OG1 3.39Å; S592-T595 PolarHBondContact O-N 3.48Å; S592-T595 PolarHBondContact O-OG1 3.38Å; S592-S617 WeakPolarHBondContact OG-CB 3.12Å; S592-S617 PolarHBondContact OG-OG 3.39Å
593	W	85.6	Confident	86.2	Confident	36 Å²	36	47.5 Å²	47.5	14%	0.136	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	137.6	174.7	-158	-89	0	0	0	110.6	T549 A550 W551 L568 T595 A618 Y804 P805	T549-W593 HydrophobicContact CG2-CH2 3.99Å; T549-W593 HydrophobicContact CG2-CZ2 3.77Å; A550-W593 HydrophobicContact CB-CZ3 4.23Å; W551-W593 AromaticContact CD1-CH2 3.46Å; W551-W593 VanDerWaalsContact CD1-CH2 3.46Å; W551-W593 HydrophobicContact CG-CH2 4.3Å; W551-W593 AromaticContact NE1-CH2 3.7Å; L568-W593 HydrophobicContact CD1-CE3 4.28Å; L568-W593 HydrophobicContact CD1-CZ3 4.14Å; L568-W593 HydrophobicContact CD2-CZ3 4.44Å; W593-T595 PolarHBondContact O-N 3.42Å; W593-T595 VanDerWaalsContact O-N 3.16Å; W593-A618 HydrophobicContact CB-CB 4.01Å; W593-A618 WeakPolarHBondContact CB-O 3.24Å; W593-A618 HydrophobicContact CE3-CB 4.4Å; W593-A618 HydrophobicContact CG-CB 4.42Å; W593-A618 PolarHBondContact N-O 2.86Å; W593-Y804 HydrophobicContact CB-CE2 4.29Å; W593-Y804 AromaticContact CD1-CD2 3.74Å; W593-Y804 AromaticContact CD1-CE2 3.58Å; W593-Y804 HydrophobicContact CG-CD2 4.28Å; W593-Y804 AromaticContact CG-CE2 3.92Å; W593-Y804 HydrophobicContact CG-CE2 3.92Å; W593-Y804 AromaticContact NE1-CD2 3.81Å; W593-P805 HydrophobicContact CE3-CG 4.23Å; W593-P805 HydrophobicContact CZ3-CG 4.28Å
594	G	74.4	Confident	86.2	Confident	44 Å²	44	46 Å²	46	45%	0.454	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	76	-16.2	-177.9	0	0	0	0	0	115.3
595	T	72.6	Confident	86.2	Confident	73 Å²	73	43.8 Å²	43.8	45%	0.448	24%	0.244	S	C	.	.			trans	-96.1	139.9	178.7	62.5	0	0	0	0	111.5	S592 W593	S592-T595 WeakPolarHBondContact CB-OG1 3.39Å; S592-T595 PolarHBondContact O-N 3.48Å; S592-T595 PolarHBondContact O-OG1 3.38Å; W593-T595 PolarHBondContact O-N 3.42Å; W593-T595 VanDerWaalsContact O-N 3.16Å
596	Q	63.1	Low	86.2	Confident	69 Å²	69	41.5 Å²	41.5	32%	0.322	24%	0.235	S	C	.	.	S	Bend	trans	-81.2	-28.9	179.7	-80.1	-179	53.1	0	0	114.6	N526 P598	N526-Q596 PolarHBondContact ND2-NE2 2.75Å; N526-Q596 PolarHBondContact OD1-NE2 3.3Å; N526-Q596 PolarHBondContact OD1-OE1 2.89Å; Q596-P598 WeakPolarHBondContact O-CD 3.3Å
597	D	75.4	Confident	86.3	Confident	90 Å²	90	41.1 Å²	41.1	48%	0.481	23%	0.228	S	C	.	.			trans	-99.2	96.1	-164.5	-69.2	-37.8	0	0	0	111.1	H708	D597-H708 HydrophobicContact CB-CB 3.82Å; D597-H708 VanDerWaalsContact CB-ND1 3.3Å; D597-H708 WeakPolarHBondContact CB-ND1 3.06Å
598	P	86.3	Confident	86.4	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.013	26%	0.256	C	S	.	.			trans	-66.3	149.3	177.8	33.1	-38.2	0	0	0	109.9	L589 V590 T591 Q596 D710	L589-P598 HydrophobicContact CD1-CB 3.7Å; L589-P598 HydrophobicContact CD1-CG 4.14Å; L589-P598 HydrophobicContact CG-CB 4.11Å; V590-P598 WeakPolarHBondContact O-CA 3.4Å; T591-P598 WeakPolarHBondContact OG1-CB 3.39Å; Q596-P598 WeakPolarHBondContact O-CD 3.3Å; P598-D710 HydrophobicContact CG-CB 4.26Å
599	S	87.9	Confident	86.4	Confident	12 Å²	12	48.6 Å²	48.6	8%	0.084	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	139.5	176.7	60.8	0	0	0	0	110.2	V590	V590-S599 PolarHBondContact N-O 2.91Å; V590-S599 PolarHBondContact O-N 2.91Å; V590-S599 PolarHBondContact O-OG 3.08Å
600	I	88.4	Confident	86.5	Confident	21 Å²	21	48.6 Å²	48.6	11%	0.108	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120.6	176.4	-64.6	168.4	0	0	0	107.8	L589 A628 M631	L589-I600 HydrophobicContact CD1-CD1 4.07Å; L589-I600 HydrophobicContact CD1-CG1 3.43Å; L589-I600 VanDerWaalsContact CD1-CG1 3.43Å; I600-A628 HydrophobicContact CB-CB 4.19Å; I600-A628 HydrophobicContact CD1-CB 3.58Å; I600-A628 HydrophobicContact CG1-CB 4.37Å; I600-M631 HydrophobicContact CD1-CE 4.09Å; I600-M631 HydrophobicContact CD1-SD 3.76Å
601	L	90.5	Very high	86.6	Confident	19 Å²	19	49.5 Å²	49.5	10%	0.099	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	139.1	-177.6	-57.2	-179	0	0	0	110.1	S587 V588 V590 T603 C606 V609 L706	S587-L601 CarbonylContact C-O 3.53Å; S587-L601 WeakPolarHBondContact CA-O 3.33Å; V588-L601 PolarHBondContact N-O 3.06Å; V588-L601 PolarHBondContact O-N 3.49Å; V590-L601 HydrophobicContact CB-CD1 4.43Å; V590-L601 HydrophobicContact CG2-CD1 3.8Å; V590-L601 HydrophobicContact CG2-CG 4.13Å; L601-T603 PolarHBondContact O-N 3.49Å; L601-C606 HydrophobicContact CB-CB 3.67Å; L601-C606 HydrophobicContact CD1-CB 4.08Å; L601-V609 HydrophobicContact CD1-CB 3.64Å; L601-V609 HydrophobicContact CD1-CG1 3.62Å; L601-V609 HydrophobicContact CD1-CG2 4.17Å; L601-L706 HydrophobicContact CD2-CD2 3.86Å
602	R	91.2	Very high	86.7	Confident	155 Å²	155	53.7 Å²	53.7	59%	0.585	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	136.7	171.3	-73.4	-172.1	-178.2	157.3	0.9	110.6	S604 N605 C606 E627	R602-S604 PolarHBondContact O-N 3.03Å; R602-N605 PolarHBondContact O-N 3.12Å; R602-C606 WeakPolarHBondContact O-CB 3.46Å; R602-C606 PolarHBondContact O-N 3.4Å; R602-E627 IonicContact CZ-OE1 2.77Å; R602-E627 IonicContact NE-OE1 2.77Å; R602-E627 PolarHBondContact NE-OE1 3.04Å; R602-E627 IonicContact NH2-OE1 3.06Å; R602-E627 PolarHBondContact NH2-OE1 3.48Å
603	T	89.5	Confident	86.9	Confident	28 Å²	28	55.5 Å²	55.5	17%	0.172	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-29	179	-61.5	0	0	0	0	112.8	L578 Y585 S586 S587 L601 N605	L578-T603 HydrophobicContact CD2-CG2 3.37Å; Y585-T603 WeakPolarHBondContact O-CB 3.35Å; Y585-T603 PolarHBondContact O-OG1 2.89Å; S586-T603 WeakPolarHBondContact O-CB 3.35Å; S586-T603 PolarHBondContact O-N 2.77Å; S586-T603 PolarHBondContact O-OG1 2.71Å; S586-T603 VanDerWaalsContact O-OG1 3.12Å; S587-T603 PolarHBondContact N-OG1 2.64Å; L601-T603 PolarHBondContact O-N 3.49Å; T603-N605 PolarHBondContact O-N 2.9Å
604	S	87.5	Confident	87.3	Confident	92 Å²	92	53.9 Å²	53.9	64%	0.643	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-35.6	178.7	61.7	0	0	0	0	113.8	R602	R602-S604 PolarHBondContact O-N 3.03Å
605	N	86.7	Confident	88.2	Confident	125 Å²	125	56.5 Å²	56.5	67%	0.668	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.7	3	-167.9	-62.8	2.5	0	0	0	113.4	R602 T603 L607	R602-N605 PolarHBondContact O-N 3.12Å; T603-N605 PolarHBondContact O-N 2.9Å; N605-L607 VanDerWaalsContact C-N 3.31Å; N605-L607 PolarHBondContact O-N 3.25Å
606	C	91.4	Very high	89	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.007	31%	0.311	C	S	.	.	H	α-helix	trans	-70.2	-22.8	-174.1	66.7	0	0	0	0	114.2	L601 R602 V608 V609 I610	L601-C606 HydrophobicContact CB-CB 3.67Å; L601-C606 HydrophobicContact CD1-CB 4.08Å; R602-C606 WeakPolarHBondContact O-CB 3.46Å; R602-C606 PolarHBondContact O-N 3.4Å; C606-V608 VanDerWaalsContact C-N 3.35Å; C606-V608 PolarHBondContact O-N 3.05Å; C606-V609 PolarHBondContact O-N 3Å; C606-I610 HydrophobicContact CB-CD1 3.89Å; C606-I610 WeakPolarHBondContact O-CB 3.41Å; C606-I610 WeakPolarHBondContact O-CD1 3.23Å; C606-I610 WeakPolarHBondContact O-CG1 3.41Å; C606-I610 PolarHBondContact O-N 2.95Å
607	L	92.7	Very high	90.3	Very high	53 Å²	53	57.1 Å²	57.1	28%	0.277	30%	0.3	S	S	.	.	H	α-helix	trans	-61.9	-38.3	-169.9	-170.2	65.3	0	0	0	113.6	L575 N605 N611	L575-L607 HydrophobicContact CB-CD1 4.07Å; L575-L607 HydrophobicContact CD2-CD1 3.76Å; L575-L607 HydrophobicContact CG-CD1 3.77Å; L575-L607 VanDerWaalsContact O-CD1 3.28Å; L575-L607 WeakPolarHBondContact O-CD1 3.31Å; N605-L607 VanDerWaalsContact C-N 3.31Å; N605-L607 PolarHBondContact O-N 3.25Å; L607-N611 WeakPolarHBondContact O-CB 3.06Å; L607-N611 PolarHBondContact O-N 3.43Å; L607-N611 VanDerWaalsContact O-N 3.16Å; L607-N611 PolarHBondContact O-ND2 2.93Å
608	V	92.3	Very high	91.1	Very high	102 Å²	102	52.9 Å²	52.9	62%	0.618	28%	0.277	S	S	*	.	H	α-helix	trans	-67.2	-52.1	179.7	178.9	0	0	0	0	109.4	C606 I610 N611 E612	C606-V608 VanDerWaalsContact C-N 3.35Å; C606-V608 PolarHBondContact O-N 3.05Å; V608-I610 VanDerWaalsContact C-N 3.34Å; V608-I610 PolarHBondContact O-N 3.46Å; V608-N611 PolarHBondContact O-N 2.76Å; V608-N611 VanDerWaalsContact O-N 3.15Å; V608-E612 WeakPolarHBondContact O-CG 3.48Å; V608-E612 PolarHBondContact O-N 3.35Å
609	V	92.9	Very high	91.5	Very high	57 Å²	57	52.8 Å²	52.8	35%	0.345	28%	0.276	S	S	.	.	H	α-helix	trans	-59.6	-43.5	-179.4	-175.9	0	0	0	0	111.7	L601 C606 N611 E612 L613	L601-V609 HydrophobicContact CD1-CB 3.64Å; L601-V609 HydrophobicContact CD1-CG1 3.62Å; L601-V609 HydrophobicContact CD1-CG2 4.17Å; C606-V609 PolarHBondContact O-N 3Å; V609-N611 PolarHBondContact O-N 2.86Å; V609-E612 PolarHBondContact O-N 3Å; V609-L613 HydrophobicContact CG1-CD1 4.28Å; V609-L613 WeakPolarHBondContact O-CG 3.35Å; V609-L613 PolarHBondContact O-N 2.76Å
610	I	94.6	Very high	91.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.5	-45.4	177.6	-68.4	165.2	0	0	0	110.9	L569 L575 V590 C606 V608 E612 L613 L614 L621	L569-I610 HydrophobicContact CD1-CG2 4.33Å; L575-I610 HydrophobicContact CD2-CG2 4.24Å; V590-I610 HydrophobicContact CG1-CG1 4.34Å; V590-I610 HydrophobicContact CG2-CD1 4.36Å; V590-I610 HydrophobicContact CG2-CG1 4.1Å; C606-I610 HydrophobicContact CB-CD1 3.89Å; C606-I610 WeakPolarHBondContact O-CB 3.41Å; C606-I610 WeakPolarHBondContact O-CD1 3.23Å; C606-I610 WeakPolarHBondContact O-CG1 3.41Å; C606-I610 PolarHBondContact O-N 2.95Å; V608-I610 VanDerWaalsContact C-N 3.34Å; V608-I610 PolarHBondContact O-N 3.46Å; I610-E612 VanDerWaalsContact C-N 3.34Å; I610-E612 PolarHBondContact O-N 3.45Å; I610-L613 PolarHBondContact O-N 3.18Å; I610-L614 HydrophobicContact CG2-CD1 3.72Å; I610-L614 HydrophobicContact CG2-CG 4.42Å; I610-L614 WeakPolarHBondContact O-CB 3.37Å; I610-L614 WeakPolarHBondContact O-CD1 3.23Å; I610-L614 VanDerWaalsContact O-CG 3.24Å; I610-L614 WeakPolarHBondContact O-CG 3.4Å; I610-L614 PolarHBondContact O-N 2.91Å; I610-L621 HydrophobicContact CD1-CD1 4.04Å; I610-L621 HydrophobicContact CD1-CD2 3.69Å; I610-L621 HydrophobicContact CG1-CD2 3.82Å; I610-L621 HydrophobicContact CG2-CD1 4.28Å; I610-L621 HydrophobicContact CG2-CD2 4.27Å
611	N	94.7	Very high	92.1	Very high	21 Å²	21	51.3 Å²	51.3	11%	0.112	27%	0.268	C	S	.	.	H	α-helix	trans	-66.4	-35.3	179.4	-80.9	-53.5	0	0	0	112.7	L575 L607 V608 V609 L614 L615	L575-N611 PolarHBondContact N-OD1 2.91Å; L575-N611 PolarHBondContact O-ND2 3.1Å; L575-N611 PolarHBondContact O-OD1 3.05Å; L607-N611 WeakPolarHBondContact O-CB 3.06Å; L607-N611 PolarHBondContact O-N 3.43Å; L607-N611 VanDerWaalsContact O-N 3.16Å; L607-N611 PolarHBondContact O-ND2 2.93Å; V608-N611 PolarHBondContact O-N 2.76Å; V608-N611 VanDerWaalsContact O-N 3.15Å; V609-N611 PolarHBondContact O-N 2.86Å; N611-L614 PolarHBondContact O-N 2.79Å; N611-L615 PolarHBondContact O-N 2.78Å
612	E	94.1	Very high	92.3	Very high	114 Å²	114	50.5 Å²	50.5	53%	0.533	26%	0.263	S	S	.	.	H	α-helix	trans	-65.2	-45.5	174.3	-68.2	-56.7	134.1	0	0	111.3	V608 V609 I610 L614 L615	V608-E612 WeakPolarHBondContact O-CG 3.48Å; V608-E612 PolarHBondContact O-N 3.35Å; V609-E612 PolarHBondContact O-N 3Å; I610-E612 VanDerWaalsContact C-N 3.34Å; I610-E612 PolarHBondContact O-N 3.45Å; E612-L614 VanDerWaalsContact C-N 3.28Å; E612-L614 PolarHBondContact O-N 3.38Å; E612-L615 VanDerWaalsContact O-CB 3.32Å; E612-L615 WeakPolarHBondContact O-CB 3.43Å; E612-L615 PolarHBondContact O-N 2.83Å; E612-L615 VanDerWaalsContact O-N 3.13Å
613	L	92.9	Very high	92.3	Very high	52 Å²	52	43.1 Å²	43.1	27%	0.272	24%	0.236	S	C	.	.	H	α-helix	trans	-60.1	-40.2	175.7	-68.6	172.8	0	0	0	111.7	V590 V609 I610 L615 H616 S617 V619	V590-L613 HydrophobicContact CG1-CD1 3.65Å; V609-L613 HydrophobicContact CG1-CD1 4.28Å; V609-L613 WeakPolarHBondContact O-CG 3.35Å; V609-L613 PolarHBondContact O-N 2.76Å; I610-L613 PolarHBondContact O-N 3.18Å; L613-L615 PolarHBondContact O-N 2.87Å; L613-L615 VanDerWaalsContact O-N 3.13Å; L613-H616 PolarHBondContact O-N 3.48Å; L613-S617 PolarHBondContact O-N 3.43Å; L613-S617 PolarHBondContact O-OG 2.97Å; L613-V619 HydrophobicContact CB-CG2 3.65Å
614	L	93.9	Very high	92.3	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-63.9	-15.5	178.6	-73.6	166	0	0	0	114.1	L569 M570 G572 Y573 I610 N611 E612 H616 S617 V619	L569-L614 HydrophobicContact CB-CD1 4.26Å; L569-L614 HydrophobicContact CB-CD2 3.64Å; L569-L614 HydrophobicContact CD1-CD1 3.78Å; M570-L614 WeakPolarHBondContact O-CD2 3.42Å; G572-L614 PolarHBondContact N-O 3.22Å; Y573-L614 WeakPolarHBondContact O-CB 3.43Å; Y573-L614 VanDerWaalsContact O-CD1 3.26Å; Y573-L614 WeakPolarHBondContact O-CD1 2.78Å; I610-L614 HydrophobicContact CG2-CD1 3.72Å; I610-L614 HydrophobicContact CG2-CG 4.42Å; I610-L614 WeakPolarHBondContact O-CB 3.37Å; I610-L614 WeakPolarHBondContact O-CD1 3.23Å; I610-L614 VanDerWaalsContact O-CG 3.24Å; I610-L614 WeakPolarHBondContact O-CG 3.4Å; I610-L614 PolarHBondContact O-N 2.91Å; N611-L614 PolarHBondContact O-N 2.79Å; E612-L614 VanDerWaalsContact C-N 3.28Å; E612-L614 PolarHBondContact O-N 3.38Å; L614-H616 VanDerWaalsContact C-N 3.28Å; L614-S617 WeakPolarHBondContact CA-O 3.42Å; L614-V619 HydrophobicContact CD2-CB 3.86Å; L614-V619 HydrophobicContact CD2-CG2 3.68Å; L614-V619 HydrophobicContact CG-CB 4.22Å; L614-V619 HydrophobicContact CG-CG2 3.79Å
615	L	93.2	Very high	92.3	Very high	99 Å²	99	39.9 Å²	39.9	52%	0.518	21%	0.21	S	C	.	.	H	α-helix	trans	-67.3	-32.2	171.9	-61.3	176.8	0	0	0	111.8	K571 N611 E612 L613	K571-L615 WeakPolarHBondContact CE-O 3.38Å; N611-L615 PolarHBondContact O-N 2.78Å; E612-L615 VanDerWaalsContact O-CB 3.32Å; E612-L615 WeakPolarHBondContact O-CB 3.43Å; E612-L615 PolarHBondContact O-N 2.83Å; E612-L615 VanDerWaalsContact O-N 3.13Å; L613-L615 PolarHBondContact O-N 2.87Å; L613-L615 VanDerWaalsContact O-N 3.13Å
616	H	90.3	Very high	92	Very high	141 Å²	141	34.8 Å²	34.8	65%	0.653	18%	0.184	S	C	*	.	H	α-helix	trans	-110.7	-34.6	-170.8	-59.2	-63.5	0	0	0	113.1	K571 L613 L614	K571-H616 VanDerWaalsContact CD-O 3.26Å; K571-H616 WeakPolarHBondContact CD-O 3.48Å; K571-H616 WeakPolarHBondContact CE-O 3.48Å; K571-H616 PolarHBondContact NZ-O 2.91Å; L613-H616 PolarHBondContact O-N 3.48Å; L614-H616 VanDerWaalsContact C-N 3.28Å
617	S	90.7	Very high	91.4	Very high	14 Å²	14	38.5 Å²	38.5	10%	0.098	20%	0.201	C	C	.	.	S	Bend	trans	-140.8	164.6	-174	61.6	0	0	0	0	113.3	S592 L613 L614 Y804	S592-S617 WeakPolarHBondContact OG-CB 3.12Å; S592-S617 PolarHBondContact OG-OG 3.39Å; L613-S617 PolarHBondContact O-N 3.43Å; L613-S617 PolarHBondContact O-OG 2.97Å; L614-S617 WeakPolarHBondContact CA-O 3.42Å; S617-Y804 VanDerWaalsContact C-OH 3.23Å; S617-Y804 WeakPolarHBondContact CA-OH 3.36Å
618	A	92.3	Very high	90.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.			trans	-72.8	151.1	164.6	0	0	0	0	0	109.3	L569 W593 Y804 P805	L569-A618 CarbonylContact O-C 3.54Å; L569-A618 VanDerWaalsContact O-CA 3.24Å; L569-A618 WeakPolarHBondContact O-CA 3.37Å; L569-A618 VanDerWaalsContact O-CB 3.27Å; L569-A618 WeakPolarHBondContact O-CB 3.3Å; W593-A618 HydrophobicContact CB-CB 4.01Å; W593-A618 WeakPolarHBondContact CB-O 3.24Å; W593-A618 HydrophobicContact CE3-CB 4.4Å; W593-A618 HydrophobicContact CG-CB 4.42Å; W593-A618 PolarHBondContact N-O 2.86Å; A618-Y804 HydrophobicContact CB-CE1 3.93Å; A618-Y804 HydrophobicContact CB-CE2 4.44Å; A618-Y804 PolarHBondContact N-OH 2.94Å; A618-P805 HydrophobicContact CB-CG 3.32Å
619	V	94.1	Very high	89.6	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	129.2	-173.1	-178.7	0	0	0	0	110.1	L569 V590 L613 L614 L621	L569-V619 PolarHBondContact N-O 3.45Å; L569-V619 PolarHBondContact O-N 3.3Å; V590-V619 HydrophobicContact CG1-CG1 3.47Å; V590-V619 VanDerWaalsContact CG1-CG1 3.47Å; L613-V619 HydrophobicContact CB-CG2 3.65Å; L614-V619 HydrophobicContact CD2-CB 3.86Å; L614-V619 HydrophobicContact CD2-CG2 3.68Å; L614-V619 HydrophobicContact CG-CB 4.22Å; L614-V619 HydrophobicContact CG-CG2 3.79Å; V619-L621 HydrophobicContact CG1-CD2 3.61Å; V619-L621 HydrophobicContact CG1-CG 4.3Å
620	F	94.3	Very high	89	Confident	3 Å²	3	41.2 Å²	41.2	1%	0.013	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	123.4	173.7	-171.2	-129.3	0	0	0	110.2	A550 Q553 L554 Y557 L568 T591 Q622	A550-F620 HydrophobicContact CB-CB 3.84Å; A550-F620 HydrophobicContact CB-CD1 3.62Å; A550-F620 HydrophobicContact CB-CD2 3.85Å; A550-F620 HydrophobicContact CB-CE1 4.03Å; A550-F620 HydrophobicContact CB-CE2 4.24Å; A550-F620 HydrophobicContact CB-CG 3.51Å; A550-F620 HydrophobicContact CB-CZ 4.33Å; Q553-F620 HydrophobicContact CB-CE1 4.36Å; Q553-F620 HydrophobicContact CB-CZ 4.41Å; Q553-F620 VanDerWaalsContact OE1-CE1 3.23Å; L554-F620 HydrophobicContact CD1-CE2 4.33Å; L554-F620 HydrophobicContact CD2-CE2 4.02Å; L554-F620 HydrophobicContact CD2-CZ 4.4Å; L554-F620 HydrophobicContact CG-CE2 4Å; L554-F620 HydrophobicContact CG-CZ 4.34Å; Y557-F620 HydrophobicContact CE2-CZ 4.43Å; L568-F620 HydrophobicContact CB-CD2 3.88Å; L568-F620 HydrophobicContact CB-CE2 4.4Å; L568-F620 HydrophobicContact CD1-CB 4.03Å; L568-F620 HydrophobicContact CD1-CD2 4.15Å; T591-F620 PolarHBondContact N-O 3.36Å; T591-F620 PolarHBondContact O-N 3.03Å; F620-Q622 HydrophobicContact CD1-CG 3.97Å; F620-Q622 HydrophobicContact CE1-CG 3.6Å; F620-Q622 HydrophobicContact CZ-CG 3.99Å
621	L	94.8	Very high	88.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.5	-176	-54.6	178.7	0	0	0	109.7	S566 L567 L569 L575 F582 V588 L589 V590 I610 V619	S566-L621 CarbonylContact C-O 3.6Å; S566-L621 VanDerWaalsContact CA-O 3.23Å; S566-L621 WeakPolarHBondContact CA-O 3.48Å; L567-L621 HydrophobicContact CB-CB 4.32Å; L567-L621 HydrophobicContact CD2-CD1 4.28Å; L567-L621 PolarHBondContact N-O 2.81Å; L567-L621 PolarHBondContact O-N 2.8Å; L569-L621 HydrophobicContact CD1-CD1 3.73Å; L569-L621 HydrophobicContact CG-CD1 4.49Å; L575-L621 HydrophobicContact CD2-CD1 4.44Å; F582-L621 HydrophobicContact CE1-CB 4.11Å; F582-L621 HydrophobicContact CZ-CB 4Å; V588-L621 HydrophobicContact CG1-CB 3.95Å; V588-L621 HydrophobicContact CG1-CD2 4.15Å; L589-L621 CarbonylContact O-C 3.49Å; L589-L621 WeakPolarHBondContact O-CA 3.36Å; V590-L621 HydrophobicContact CB-CD2 4.24Å; V590-L621 HydrophobicContact CG1-CD2 3.94Å; V590-L621 HydrophobicContact CG2-CD2 3.74Å; I610-L621 HydrophobicContact CD1-CD1 4.04Å; I610-L621 HydrophobicContact CD1-CD2 3.69Å; I610-L621 HydrophobicContact CG1-CD2 3.82Å; I610-L621 HydrophobicContact CG2-CD1 4.28Å; I610-L621 HydrophobicContact CG2-CD2 4.27Å; V619-L621 HydrophobicContact CG1-CD2 3.61Å; V619-L621 HydrophobicContact CG1-CG 4.3Å
622	Q	94.1	Very high	88.2	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	132.7	175.4	-49.2	-174.9	-84.5	0	0	111.3	Y557 P564 L565 S566 V588 L589 F620	Y557-Q622 PolarHBondContact OH-NE2 2.84Å; P564-Q622 HydrophobicContact CB-CB 4.49Å; P564-Q622 HydrophobicContact CG-CB 4.42Å; P564-Q622 VanDerWaalsContact CG-NE2 3.33Å; L565-Q622 CarbonylContact O-C 3.56Å; L565-Q622 VanDerWaalsContact O-CA 3.24Å; L565-Q622 WeakPolarHBondContact O-CA 3.13Å; S566-Q622 PolarHBondContact OG-NE2 3.37Å; V588-Q622 CarbonylContact C-O 3.52Å; V588-Q622 WeakPolarHBondContact CA-O 3.25Å; L589-Q622 HydrophobicContact CB-CB 4.22Å; L589-Q622 PolarHBondContact N-O 3.3Å; L589-Q622 PolarHBondContact O-N 2.82Å; F620-Q622 HydrophobicContact CD1-CG 3.97Å; F620-Q622 HydrophobicContact CE1-CG 3.6Å; F620-Q622 HydrophobicContact CZ-CG 3.99Å
623	G	91.9	Very high	88	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	131.5	-177.9	0	0	0	0	0	112.9	L565 Y585	L565-G623 PolarHBondContact O-N 2.92Å; Y585-G623 VanDerWaalsContact CD1-C 3.42Å
624	L	89.9	Confident	87.9	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	146.1	-179.9	-62	174.8	0	0	0	111.6	S586 S587 L589 M631 I680 V682	S586-L624 PolarHBondContact N-O 3.06Å; S587-L624 CarbonylContact C-O 3.5Å; S587-L624 PolarHBondContact N-O 3.17Å; S587-L624 PolarHBondContact O-N 3.09Å; L589-L624 HydrophobicContact CB-CD1 3.81Å; L624-M631 HydrophobicContact CD1-SD 4.31Å; L624-I680 HydrophobicContact CD1-CD1 4.21Å; L624-I680 HydrophobicContact CD2-CD1 3.8Å; L624-I680 HydrophobicContact CD2-CG1 4.35Å; L624-V682 HydrophobicContact CD2-CG2 4.26Å
625	N	87.5	Confident	87.8	Confident	52 Å²	52	35.9 Å²	35.9	28%	0.278	18%	0.18	S	C	.	.	S	Bend	trans	-98.1	28.1	173.1	-69.3	-52.5	0	0	0	114	R584 Y585 S586 V682 G683	R584-N625 PolarHBondContact O-OD1 3.43Å; Y585-N625 VanDerWaalsContact CA-OD1 3.25Å; Y585-N625 WeakPolarHBondContact CA-OD1 3.26Å; S586-N625 PolarHBondContact N-OD1 3.39Å; S586-N625 WeakPolarHBondContact OG-CA 3.4Å; N625-V682 WeakPolarHBondContact CB-O 3.39Å; N625-V682 PolarHBondContact N-O 2.94Å; N625-V682 PolarHBondContact ND2-O 3.47Å; N625-G683 PolarHBondContact ND2-O 3.4Å
626	C	79.7	Confident	87.8	Confident	17 Å²	17	31.2 Å²	31.2	12%	0.115	16%	0.156	C	C	.	.	S	Bend	trans	-132.8	156.9	-179.5	59.1	0	0	0	0	112	S587	S587-C626 VanDerWaalsContact CB-O 3.22Å; S587-C626 WeakPolarHBondContact CB-O 3.26Å; S587-C626 PolarHBondContact OG-O 2.98Å
627	E	78.8	Confident	88	Confident	79 Å²	79	24.5 Å²	24.5	37%	0.369	13%	0.125	S	C	.	.			trans	-87.5	160.5	164.9	-61.6	-172.2	154	0	0	109.1	R602 E629 N630 M631	R602-E627 IonicContact CZ-OE1 2.77Å; R602-E627 IonicContact NE-OE1 2.77Å; R602-E627 PolarHBondContact NE-OE1 3.04Å; R602-E627 IonicContact NH2-OE1 3.06Å; R602-E627 PolarHBondContact NH2-OE1 3.48Å; E627-E629 PolarHBondContact O-N 3.15Å; E627-E629 VanDerWaalsContact O-N 3.17Å; E627-N630 CarbonylContact O-C 3.57Å; E627-N630 PolarHBondContact O-N 3.47Å; E627-M631 PolarHBondContact O-N 2.64Å; E627-M631 VanDerWaalsContact O-N 3.08Å
628	A	73.4	Confident	88.2	Confident	9 Å²	9	23.9 Å²	23.9	7%	0.074	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-27.2	-173.8	0	0	0	0	0	115.3	I600 N630 S707	I600-A628 HydrophobicContact CB-CB 4.19Å; I600-A628 HydrophobicContact CD1-CB 3.58Å; I600-A628 HydrophobicContact CG1-CB 4.37Å; A628-N630 VanDerWaalsContact C-N 3.33Å; A628-S707 WeakPolarHBondContact CB-OG 3.42Å
629	E	74.3	Confident	88.2	Confident	158 Å²	158	23.9 Å²	23.9	74%	0.738	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-31.4	175.7	-63.5	-177.9	178.9	0	0	111.9	E627	E627-E629 PolarHBondContact O-N 3.15Å; E627-E629 VanDerWaalsContact O-N 3.17Å
630	N	78.9	Confident	87.9	Confident	102 Å²	102	24.6 Å²	24.6	55%	0.545	12%	0.123	S	C	.	.	S	Bend	trans	-99.9	8.6	-177.3	-62.8	-31.9	0	0	0	112.5	E627 A628 Q632	E627-N630 CarbonylContact O-C 3.57Å; E627-N630 PolarHBondContact O-N 3.47Å; A628-N630 VanDerWaalsContact C-N 3.33Å; N630-Q632 PolarHBondContact O-N 3.32Å
631	M	84.8	Confident	87.3	Confident	15 Å²	15	28.8 Å²	28.8	7%	0.074	15%	0.145	C	C	.	.			trans	-69	125.5	178.7	-174.7	161.9	73.5	0	0	109.8	I600 L624 E627 I680 K709 P711 L714	I600-M631 HydrophobicContact CD1-CE 4.09Å; I600-M631 HydrophobicContact CD1-SD 3.76Å; L624-M631 HydrophobicContact CD1-SD 4.31Å; E627-M631 PolarHBondContact O-N 2.64Å; E627-M631 VanDerWaalsContact O-N 3.08Å; M631-I680 HydrophobicContact CG-CD1 4.24Å; M631-I680 HydrophobicContact SD-CD1 3.85Å; M631-K709 HydrophobicContact CE-CB 4.29Å; M631-K709 WeakPolarHBondContact CE-O 3.34Å; M631-P711 HydrophobicContact CE-CB 3.96Å; M631-P711 HydrophobicContact CE-CG 3.55Å; M631-P711 HydrophobicContact SD-CB 4.36Å; M631-P711 HydrophobicContact SD-CG 3.87Å; M631-L714 HydrophobicContact CB-CD1 4.41Å; M631-L714 HydrophobicContact CE-CD1 3.31Å; M631-L714 HydrophobicContact CE-CG 4.34Å; M631-L714 HydrophobicContact CG-CD1 4.25Å
632	Q	87.8	Confident	86.2	Confident	49 Å²	49	35 Å²	35	23%	0.229	19%	0.186	C	C	.	.			trans	-116	130.7	-178.1	-64.4	177.8	7.3	0	0	109.9	N630 L681 A717 Y718 W729	N630-Q632 PolarHBondContact O-N 3.32Å; Q632-L681 HydrophobicContact CB-CB 4.02Å; Q632-L681 HydrophobicContact CB-CD2 4.24Å; Q632-L681 HydrophobicContact CG-CD2 4.48Å; Q632-L681 PolarHBondContact O-N 3.45Å; Q632-A717 HydrophobicContact CB-CB 3.83Å; Q632-A717 HydrophobicContact CG-CB 3.82Å; Q632-Y718 VanDerWaalsContact OE1-CE2 3.27Å; Q632-W729 HydrophobicContact CB-CH2 4.33Å
633	V	90.1	Very high	85.2	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	156.9	176.2	-59	0	0	0	0	110.1	T678 L679 I680 P711 L714 A716 A717	V633-T678 HydrophobicContact CB-CG2 4.33Å; V633-T678 HydrophobicContact CG1-CG2 4.46Å; V633-L679 VanDerWaalsContact CA-O 3.29Å; V633-L679 WeakPolarHBondContact CA-O 3.42Å; V633-I680 HydrophobicContact CG1-CG1 4.24Å; V633-P711 HydrophobicContact CG1-CB 3.9Å; V633-L714 HydrophobicContact CG1-CD1 4.39Å; V633-L714 HydrophobicContact CG2-CB 3.55Å; V633-L714 HydrophobicContact CG2-CD1 4.47Å; V633-A716 WeakPolarHBondContact O-CA 3.25Å; V633-A717 PolarHBondContact O-N 3.33Å
634	V	91	Very high	84	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	137.7	170.5	171.3	0	0	0	0	108.3	I636 L655 L679 C720 W729	V634-I636 HydrophobicContact CG1-CG1 4.42Å; V634-L655 HydrophobicContact CB-CD1 4.02Å; V634-L655 HydrophobicContact CG1-CB 4.44Å; V634-L655 HydrophobicContact CG1-CD1 4.2Å; V634-L655 HydrophobicContact CG2-CD1 3.71Å; V634-L679 PolarHBondContact N-O 3.49Å; V634-L679 PolarHBondContact O-N 2.79Å; V634-C720 HydrophobicContact CG1-CB 4.3Å; V634-C720 WeakPolarHBondContact CG1-SG 3.36Å; V634-W729 HydrophobicContact CB-CH2 4.42Å; V634-W729 HydrophobicContact CB-CZ3 4.1Å; V634-W729 HydrophobicContact CG2-CH2 3.64Å; V634-W729 HydrophobicContact CG2-CZ2 4.5Å; V634-W729 HydrophobicContact CG2-CZ3 3.82Å
635	H	92.6	Very high	82.7	Confident	11 Å²	11	52.1 Å²	52.1	5%	0.051	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	124.9	178.7	-58.2	-58.5	0	0	0	110	Y676 I677 T678 R712 L714 F741 L745	H635-Y676 HydrophobicContact CB-CD2 4.12Å; H635-Y676 AromaticContact ND1-CD2 3.6Å; H635-Y676 AromaticContact ND1-CE2 3.76Å; H635-I677 CarbonylContact C-O 3.46Å; H635-I677 WeakPolarHBondContact CA-O 3.43Å; H635-T678 PolarHBondContact ND1-OG1 3.45Å; H635-T678 VanDerWaalsContact ND1-OG1 3.11Å; H635-R712 PolarHBondContact CE1-O 2.93Å; H635-L714 PolarHBondContact NE2-O 2.61Å; H635-F741 AromaticContact NE2-CE2 3.91Å; H635-L745 HydrophobicContact CB-CD1 3.8Å; H635-L745 HydrophobicContact CB-CD2 3.66Å; H635-L745 HydrophobicContact CB-CG 4.35Å
636	I	93.2	Very high	81.7	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	109.2	179.7	-59	168	0	0	0	107.5	V634 L655 V661 Y676 I677 L679	V634-I636 HydrophobicContact CG1-CG1 4.42Å; I636-L655 WeakPolarHBondContact CD1-O 3.35Å; I636-V661 HydrophobicContact CD1-CB 4.44Å; I636-V661 HydrophobicContact CD1-CG1 4.11Å; I636-V661 HydrophobicContact CD1-CG2 3.45Å; I636-V661 VanDerWaalsContact CD1-CG2 3.45Å; I636-V661 HydrophobicContact CG2-CG1 4.11Å; I636-Y676 CarbonylContact O-C 3.59Å; I636-Y676 VanDerWaalsContact O-CA 3.27Å; I636-Y676 WeakPolarHBondContact O-CA 3.31Å; I636-I677 HydrophobicContact CB-CB 4.38Å; I636-I677 PolarHBondContact N-O 3.35Å; I636-I677 PolarHBondContact O-N 2.88Å; I636-L679 HydrophobicContact CD1-CD1 3.61Å; I636-L679 HydrophobicContact CD1-CG 4.05Å
637	P	94.5	Very high	81.2	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.006	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	155.7	179.2	27.3	-34.9	0	0	0	111.8	R640 G675 L745 Q748 V749 R752	P637-R640 WeakPolarHBondContact O-CG 3.3Å; P637-G675 CarbonylContact C-O 3.52Å; P637-G675 WeakPolarHBondContact CA-O 3.49Å; P637-L745 HydrophobicContact CB-CD1 4.1Å; P637-L745 HydrophobicContact CG-CD1 4.34Å; P637-Q748 HydrophobicContact CB-CB 4.26Å; P637-Q748 HydrophobicContact CG-CB 3.91Å; P637-Q748 VanDerWaalsContact CG-OE1 3.31Å; P637-V749 HydrophobicContact CB-CG2 3.71Å; P637-R752 VanDerWaalsContact C-NH1 3.35Å; P637-R752 PolarHBondContact O-NH1 2.97Å
638	F	94.8	Very high	80.7	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	153.2	168.7	61.1	-98.7	0	0	0	111.2	L670 L673 C674 G675 I677 F736	F638-L670 HydrophobicContact CB-CB 3.99Å; F638-L670 HydrophobicContact CB-CD1 4.43Å; F638-L670 HydrophobicContact CD1-CD1 3.84Å; F638-L670 HydrophobicContact CD2-CB 3.79Å; F638-L670 HydrophobicContact CD2-CD1 4.47Å; F638-L670 HydrophobicContact CD2-CD2 4.1Å; F638-L670 HydrophobicContact CD2-CG 4.33Å; F638-L670 HydrophobicContact CE1-CD1 4.12Å; F638-L670 HydrophobicContact CE1-CD2 4.28Å; F638-L670 HydrophobicContact CE2-CB 4.4Å; F638-L670 HydrophobicContact CE2-CD2 3.83Å; F638-L670 HydrophobicContact CG-CB 3.87Å; F638-L670 HydrophobicContact CG-CD1 4.02Å; F638-L670 HydrophobicContact CG-CD2 4.44Å; F638-L670 HydrophobicContact CG-CG 4.33Å; F638-L670 HydrophobicContact CZ-CD2 3.93Å; F638-L673 HydrophobicContact CD2-CB 4.34Å; F638-L673 WeakPolarHBondContact CD2-O 3.48Å; F638-L673 HydrophobicContact CE2-CB 3.86Å; F638-C674 WeakPolarHBondContact CE2-O 3.47Å; F638-C674 WeakPolarHBondContact O-CA 3.3Å; F638-G675 VanDerWaalsContact CD1-C 3.48Å; F638-G675 VanDerWaalsContact CE2-N 3.31Å; F638-G675 VanDerWaalsContact CZ-CA 3.42Å; F638-G675 PolarHBondContact N-O 3.43Å; F638-G675 PolarHBondContact O-N 3.01Å; F638-I677 HydrophobicContact CD1-CG1 4.15Å; F638-I677 HydrophobicContact CE1-CG1 4.36Å; F638-F736 AromaticContact CE2-CD1 3.97Å; F638-F736 HydrophobicContact CE2-CD1 3.97Å; F638-F736 HydrophobicContact CE2-CE1 4.26Å; F638-F736 AromaticContact CZ-CD1 3.68Å; F638-F736 HydrophobicContact CZ-CD1 3.68Å; F638-F736 AromaticContact CZ-CE1 3.93Å; F638-F736 HydrophobicContact CZ-CE1 3.93Å; F638-F736 HydrophobicContact CZ-CG 4.46Å
639	P	92.6	Very high	80.8	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	35%	0.347	C	S	.	.	S	Bend	cis	-58.2	159.4	5.4	-28.1	39.1	0	0	0	114	L673 R752 F756 L758	P639-L673 WeakPolarHBondContact CD-O 3.32Å; P639-L673 VanDerWaalsContact CG-O 3.24Å; P639-L673 WeakPolarHBondContact CG-O 3.24Å; P639-R752 WeakPolarHBondContact O-CD 3.47Å; P639-R752 PolarHBondContact O-NH1 3.4Å; P639-F756 HydrophobicContact CB-CB 4.38Å; P639-F756 HydrophobicContact CB-CD1 3.58Å; P639-F756 HydrophobicContact CB-CD2 3.65Å; P639-F756 HydrophobicContact CB-CE1 3.67Å; P639-F756 HydrophobicContact CB-CE2 3.76Å; P639-F756 HydrophobicContact CB-CG 3.58Å; P639-F756 HydrophobicContact CB-CZ 3.78Å; P639-F756 HydrophobicContact CG-CB 4.03Å; P639-F756 HydrophobicContact CG-CD1 4.06Å; P639-F756 HydrophobicContact CG-CD2 4.09Å; P639-F756 HydrophobicContact CG-CG 3.79Å; P639-L758 HydrophobicContact CG-CD1 3.5Å; P639-L758 VanDerWaalsContact CG-CD1 3.5Å; P639-L758 HydrophobicContact CG-CG 4.27Å
640	R	86.8	Confident	81.1	Confident	16 Å²	16	59.9 Å²	59.9	6%	0.06	33%	0.328	C	S	.	.			trans	-110.1	140.7	175.3	-77	174.6	66.9	-148.3	0.3	110.2	P637 E656 V661 D662 F756	P637-R640 WeakPolarHBondContact O-CG 3.3Å; R640-E656 PolarHBondContact NH2-O 3.43Å; R640-V661 VanDerWaalsContact NH1-CG1 3.25Å; R640-D662 IonicContact CZ-OD1 2.68Å; R640-D662 IonicContact NH1-OD1 3.54Å; R640-D662 PolarHBondContact NH1-OD1 2.77Å; R640-D662 IonicContact NH2-OD1 3.71Å; R640-F756 VanDerWaalsContact O-CZ 3.3Å; R640-F756 WeakPolarHBondContact O-CZ 3.42Å
641	D	81.9	Confident	81.3	Confident	90 Å²	90	61.5 Å²	61.5	48%	0.481	34%	0.336	S	S	.	.			trans	-62.6	148.8	168.9	-65.8	-47	0	0	0	109.8	I643 F756	D641-I643 PolarHBondContact O-N 3.44Å; D641-F756 WeakPolarHBondContact OD1-CE2 3.33Å
642	P	72.4	Confident	81.4	Confident	131 Å²	131	68 Å²	68	85%	0.851	36%	0.36	S	S	*	.			trans	-62	113	178.2	-16.1	28.8	0	0	0	109.9
643	I	72.2	Confident	81.4	Confident	77 Å²	77	65.6 Å²	65.6	40%	0.395	35%	0.349	S	S	.	.			trans	-94.1	139.4	173.9	-67.9	154.7	0	0	0	108	D641 A645 E657	D641-I643 PolarHBondContact O-N 3.44Å; I643-A645 PolarHBondContact O-N 3.18Å; I643-E657 HydrophobicContact CG2-CG 4.48Å
644	E	66.8	Low	81.3	Confident	181 Å²	181	66.6 Å²	66.6	85%	0.846	36%	0.356	S	S	*	.			trans	-55.2	138.3	173.2	-67.9	-174.6	172.8	0	0	109.5	S646	E644-S646 PolarHBondContact O-N 3.03Å
645	A	62.9	Low	81.1	Confident	104 Å²	104	66.7 Å²	66.7	86%	0.86	36%	0.356	S	S	*	.			trans	-56.8	104.5	-177.1	0	0	0	0	0	110.1	I643	I643-A645 PolarHBondContact O-N 3.18Å
646	S	65.4	Low	80.8	Confident	28 Å²	28	67.9 Å²	67.9	20%	0.196	36%	0.361	C	S	.	.			trans	-66.1	150.8	173.1	61.6	0	0	0	0	108.8	E644 P648	E644-S646 PolarHBondContact O-N 3.03Å; S646-P648 VanDerWaalsContact O-CD 3.3Å; S646-P648 WeakPolarHBondContact O-CD 3.33Å; S646-P648 VanDerWaalsContact O-N 3.1Å
647	N	69.6	Low	80.5	Confident	97 Å²	97	70 Å²	70	52%	0.519	37%	0.371	S	S	.	.			trans	-58.3	118.6	177.1	-176.6	-0.3	0	0	0	108.6	E649 R650	N647-E649 PolarHBondContact O-N 3.37Å; N647-E649 PolarHBondContact OD1-N 3.4Å; N647-R650 WeakPolarHBondContact O-CB 3.43Å; N647-R650 PolarHBondContact O-N 3Å
648	P	69.2	Low	80.3	Confident	109 Å²	109	70.6 Å²	70.6	71%	0.708	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.2	-178.7	24.3	-34.4	0	0	0	113	S646 R650	S646-P648 VanDerWaalsContact O-CD 3.3Å; S646-P648 WeakPolarHBondContact O-CD 3.33Å; S646-P648 VanDerWaalsContact O-N 3.1Å; P648-R650 VanDerWaalsContact C-N 3.34Å
649	E	75.1	Confident	80	Confident	154 Å²	154	72.3 Å²	72.3	72%	0.72	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	0.2	174.9	-57.9	-175.5	165.2	0	0	113.5	N647 L651	N647-E649 PolarHBondContact O-N 3.37Å; N647-E649 PolarHBondContact OD1-N 3.4Å; E649-L651 PolarHBondContact O-N 2.91Å
650	R	79.6	Confident	80	Confident	89 Å²	89	72.3 Å²	72.3	34%	0.336	39%	0.385	S	S	.	.			trans	-64.9	117	177.1	-172.9	175.5	-167.1	170.2	10.1	109.5	N647 P648 R652 E657 E723 Y726	N647-R650 WeakPolarHBondContact O-CB 3.43Å; N647-R650 PolarHBondContact O-N 3Å; P648-R650 VanDerWaalsContact C-N 3.34Å; R650-R652 WeakPolarHBondContact CD-O 3.4Å; R650-R652 WeakPolarHBondContact CG-O 3.39Å; R650-R652 PolarHBondContact NE-O 2.83Å; R650-E657 IonicContact CZ-OE2 3.29Å; R650-E657 IonicContact NH1-OE2 3.28Å; R650-E657 PolarHBondContact NH1-OE2 3.05Å; R650-E723 IonicContact NH2-OE1 2.75Å; R650-Y726 HydrophobicContact CG-CE2 4.34Å; R650-Y726 WeakPolarHBondContact O-CD2 3.21Å; R650-Y726 VanDerWaalsContact O-CE2 3.32Å; R650-Y726 WeakPolarHBondContact O-CE2 3.47Å
651	L	84.1	Confident	80.2	Confident	137 Å²	137	71.6 Å²	71.6	72%	0.717	38%	0.382	S	S	*	.			trans	-89.9	-15.2	-179.2	-59.5	176.2	0	0	0	113.5	E649 Y726	E649-L651 PolarHBondContact O-N 2.91Å; L651-Y726 PolarHBondContact O-N 3.46Å
652	R	86.8	Confident	80.7	Confident	150 Å²	150	69.1 Å²	69.1	57%	0.566	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.5	136.1	-176.7	-174.9	-179	-177.9	173.1	0.7	111.7	R650 E723 Q724	R650-R652 WeakPolarHBondContact CD-O 3.4Å; R650-R652 WeakPolarHBondContact CG-O 3.39Å; R650-R652 PolarHBondContact NE-O 2.83Å; R652-E723 HydrophobicContact CG-CB 4.47Å; R652-E723 IonicContact NE-OE2 2.73Å; R652-Q724 VanDerWaalsContact CA-O 3.31Å; R652-Q724 WeakPolarHBondContact CA-O 3.39Å; R652-Q724 WeakPolarHBondContact CG-O 3.28Å
653	G	87.6	Confident	81.6	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.9	-168	175.7	0	0	0	0	0	112.6	E723 Q724 Y726	G653-E723 WeakPolarHBondContact O-CA 3.39Å; G653-Q724 PolarHBondContact N-O 2.84Å; G653-Q724 VanDerWaalsContact N-O 3.14Å; G653-Q724 PolarHBondContact O-N 3.46Å; G653-Y726 VanDerWaalsContact CA-OH 3.31Å; G653-Y726 WeakPolarHBondContact CA-OH 3.33Å; G653-Y726 WeakPolarHBondContact O-CE1 3.36Å
654	P	87.9	Confident	82.6	Confident	22 Å²	22	64.7 Å²	64.7	14%	0.143	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	137.6	171.1	-24.3	35.7	0	0	0	111.1	E656 E657 Y726	P654-E656 PolarHBondContact O-N 2.84Å; P654-E657 HydrophobicContact CB-CG 4.46Å; P654-E657 PolarHBondContact O-N 3.23Å; P654-Y726 WeakPolarHBondContact O-CE1 3.28Å; P654-Y726 PolarHBondContact O-OH 3.1Å; P654-Y726 VanDerWaalsContact O-OH 3.09Å
655	L	88.1	Confident	83.9	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.016	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-68.4	-20.8	-177.6	-73.3	170.9	0	0	0	112.9	V634 I636 E657 H658 L679 C720 Q724 Y726 W729	V634-L655 HydrophobicContact CB-CD1 4.02Å; V634-L655 HydrophobicContact CG1-CB 4.44Å; V634-L655 HydrophobicContact CG1-CD1 4.2Å; V634-L655 HydrophobicContact CG2-CD1 3.71Å; I636-L655 WeakPolarHBondContact CD1-O 3.35Å; L655-E657 PolarHBondContact O-N 3.3Å; L655-H658 WeakPolarHBondContact O-CB 3.46Å; L655-H658 PolarHBondContact O-N 3.39Å; L655-L679 HydrophobicContact CB-CD1 4.22Å; L655-L679 HydrophobicContact CD2-CD1 4.32Å; L655-C720 PolarHBondContact N-O 3.29Å; L655-C720 VanDerWaalsContact N-O 3.12Å; L655-Q724 HydrophobicContact CD1-CB 4.33Å; L655-Q724 HydrophobicContact CD1-CG 4.07Å; L655-Q724 HydrophobicContact CD2-CB 4.01Å; L655-Q724 HydrophobicContact CG-CB 4.07Å; L655-Q724 HydrophobicContact CG-CG 4.24Å; L655-Y726 HydrophobicContact CD2-CD1 4.22Å; L655-W729 HydrophobicContact CD1-CD2 3.79Å; L655-W729 HydrophobicContact CD1-CE3 4.02Å; L655-W729 HydrophobicContact CD1-CG 4.42Å; L655-W729 HydrophobicContact CD1-CH2 3.97Å; L655-W729 HydrophobicContact CD1-CZ2 3.73Å; L655-W729 HydrophobicContact CD1-CZ3 4.1Å; L655-W729 HydrophobicContact CD2-CB 4.2Å; L655-W729 HydrophobicContact CD2-CD2 3.95Å; L655-W729 HydrophobicContact CD2-CG 3.69Å
656	E	85.8	Confident	85.3	Confident	36 Å²	36	60.8 Å²	60.8	17%	0.168	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-59	-37.8	169.9	-59.7	-162.1	172.5	0	0	111.7	R640 P654 H658 C720	R640-E656 PolarHBondContact NH2-O 3.43Å; P654-E656 PolarHBondContact O-N 2.84Å; E656-H658 VanDerWaalsContact C-N 3.26Å; E656-H658 PolarHBondContact O-N 2.88Å; E656-C720 HydrophobicContact CG-CB 3.63Å; E656-C720 WeakPolarHBondContact CG-SG 3.39Å; E656-C720 WeakPolarHBondContact OE1-CB 3.27Å
657	E	87.3	Confident	86.6	Confident	45 Å²	45	62.8 Å²	62.8	21%	0.21	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-84.1	5.2	-179.9	-63	179.7	-164.3	0	0	113.4	I643 R650 P654 L655	I643-E657 HydrophobicContact CG2-CG 4.48Å; R650-E657 IonicContact CZ-OE2 3.29Å; R650-E657 IonicContact NH1-OE2 3.28Å; R650-E657 PolarHBondContact NH1-OE2 3.05Å; P654-E657 HydrophobicContact CB-CG 4.46Å; P654-E657 PolarHBondContact O-N 3.23Å; L655-E657 PolarHBondContact O-N 3.3Å
658	H	89.3	Confident	87.7	Confident	14 Å²	14	58.2 Å²	58.2	7%	0.065	27%	0.267	C	S	.	.			trans	-61.9	130.1	-178.6	-173.5	-36.9	0	0	0	110	L655 E656 V660 V661 Y726	L655-H658 WeakPolarHBondContact O-CB 3.46Å; L655-H658 PolarHBondContact O-N 3.39Å; E656-H658 VanDerWaalsContact C-N 3.26Å; E656-H658 PolarHBondContact O-N 2.88Å; H658-V660 PolarHBondContact ND1-N 3.33Å; H658-V660 VanDerWaalsContact ND1-N 3.19Å; H658-V660 PolarHBondContact O-N 3.43Å; H658-V661 HydrophobicContact CB-CG2 3.99Å; H658-V661 VanDerWaalsContact O-CB 3.32Å; H658-V661 WeakPolarHBondContact O-CB 3.35Å; H658-V661 PolarHBondContact O-N 3.37Å; H658-Y726 HydrophobicContact CB-CD1 4.2Å; H658-Y726 HydrophobicContact CB-CE1 4.22Å; H658-Y726 AromaticContact CD2-CD1 3.83Å; H658-Y726 AromaticContact CD2-CG 3.9Å; H658-Y726 PolarHBondContact NE2-O 3.26Å
659	P	89.6	Confident	88.8	Confident	36 Å²	36	57.7 Å²	57.7	23%	0.234	26%	0.255	C	S	.	.	H	α-helix	trans	-54.2	-26.9	-176.1	-30.7	34.2	0	0	0	115.7	V661 D662 R663	P659-V661 VanDerWaalsContact C-N 3.31Å; P659-D662 PolarHBondContact O-N 2.81Å; P659-R663 WeakPolarHBondContact O-CG 3.21Å; P659-R663 PolarHBondContact O-N 3.49Å; P659-R663 VanDerWaalsContact O-N 3.11Å
660	V	91.4	Very high	89.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-68.4	-34	179.1	90.8	0	0	0	0	111.9	V560 D562 H658 R663 A664 L679 L731	V560-V660 HydrophobicContact CG1-CG2 3.59Å; D562-V660 HydrophobicContact CB-CB 4.5Å; D562-V660 HydrophobicContact CB-CG2 3.23Å; D562-V660 WeakPolarHBondContact OD2-CG2 3.29Å; H658-V660 PolarHBondContact ND1-N 3.33Å; H658-V660 VanDerWaalsContact ND1-N 3.19Å; H658-V660 PolarHBondContact O-N 3.43Å; V660-R663 PolarHBondContact O-N 3.38Å; V660-A664 WeakPolarHBondContact O-CB 3.33Å; V660-A664 PolarHBondContact O-N 3.12Å; V660-L679 HydrophobicContact CG1-CD2 3.92Å; V660-L731 HydrophobicContact CG1-CB 4.27Å; V660-L731 HydrophobicContact CG2-CB 4.11Å; V660-L731 HydrophobicContact CG2-CD2 4.38Å
661	V	92	Very high	90.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-67.1	-44.1	179.2	-174.7	0	0	0	0	108.6	I636 R640 H658 P659 R663 A664 V665 I677 L679	I636-V661 HydrophobicContact CD1-CB 4.44Å; I636-V661 HydrophobicContact CD1-CG1 4.11Å; I636-V661 HydrophobicContact CD1-CG2 3.45Å; I636-V661 VanDerWaalsContact CD1-CG2 3.45Å; I636-V661 HydrophobicContact CG2-CG1 4.11Å; R640-V661 VanDerWaalsContact NH1-CG1 3.25Å; H658-V661 HydrophobicContact CB-CG2 3.99Å; H658-V661 VanDerWaalsContact O-CB 3.32Å; H658-V661 WeakPolarHBondContact O-CB 3.35Å; H658-V661 PolarHBondContact O-N 3.37Å; P659-V661 VanDerWaalsContact C-N 3.31Å; V661-R663 PolarHBondContact O-N 3.12Å; V661-A664 PolarHBondContact O-N 3.1Å; V661-V665 HydrophobicContact CG1-CG2 4.38Å; V661-V665 WeakPolarHBondContact O-CB 3.25Å; V661-V665 WeakPolarHBondContact O-CG2 3.49Å; V661-V665 PolarHBondContact O-N 3.03Å; V661-I677 HydrophobicContact CG1-CD1 3.77Å; V661-L679 HydrophobicContact CG2-CD1 4.08Å; V661-L679 HydrophobicContact CG2-CD2 4.47Å
662	D	91.3	Very high	90.5	Very high	39 Å²	39	45.3 Å²	45.3	21%	0.209	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-40.6	175.3	-73.6	-4.8	0	0	0	112.4	R640 P659 R666	R640-D662 IonicContact CZ-OD1 2.68Å; R640-D662 IonicContact NH1-OD1 3.54Å; R640-D662 PolarHBondContact NH1-OD1 2.77Å; R640-D662 IonicContact NH2-OD1 3.71Å; P659-D662 PolarHBondContact O-N 2.81Å; D662-R666 WeakPolarHBondContact O-CB 3.22Å; D662-R666 VanDerWaalsContact O-CG 3.25Å; D662-R666 WeakPolarHBondContact O-CG 3.5Å; D662-R666 PolarHBondContact O-N 2.7Å
663	R	92.1	Very high	90.7	Very high	115 Å²	115	38.3 Å²	38.3	43%	0.434	18%	0.175	S	C	.	.	H	α-helix	trans	-61.6	-45.3	173.8	-70.8	-164.1	-59.4	-127.4	5.1	111.3	V560 P659 V660 V661 R666 Y667	V560-R663 HydrophobicContact CG1-CB 3.84Å; V560-R663 PolarHBondContact O-NE 2.75Å; P659-R663 WeakPolarHBondContact O-CG 3.21Å; P659-R663 PolarHBondContact O-N 3.49Å; P659-R663 VanDerWaalsContact O-N 3.11Å; V660-R663 PolarHBondContact O-N 3.38Å; V661-R663 PolarHBondContact O-N 3.12Å; R663-R666 PolarHBondContact O-N 3.38Å; R663-Y667 WeakPolarHBondContact O-CB 3.25Å; R663-Y667 PolarHBondContact O-N 3.36Å
664	A	93.6	Very high	91	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.1	-46.5	177.8	0	0	0	0	0	112	V560 V660 V661 R666 Y667 L668 I677 L731	V560-A664 HydrophobicContact CG1-CB 4.46Å; V560-A664 HydrophobicContact CG2-CB 4.05Å; V660-A664 WeakPolarHBondContact O-CB 3.33Å; V660-A664 PolarHBondContact O-N 3.12Å; V661-A664 PolarHBondContact O-N 3.1Å; A664-R666 PolarHBondContact O-N 3.46Å; A664-Y667 PolarHBondContact O-N 2.9Å; A664-L668 WeakPolarHBondContact O-CB 3.1Å; A664-L668 PolarHBondContact O-N 3.3Å; A664-I677 HydrophobicContact CB-CD1 4.14Å; A664-L731 HydrophobicContact CB-CD2 4.42Å
665	V	93.4	Very high	91.3	Very high	14 Å²	14	37.3 Å²	37.3	9%	0.085	17%	0.168	C	C	.	.	H	α-helix	trans	-59.4	-44.3	177.8	170.3	0	0	0	0	111.5	V661 Q669 L670 I677	V661-V665 HydrophobicContact CG1-CG2 4.38Å; V661-V665 WeakPolarHBondContact O-CB 3.25Å; V661-V665 WeakPolarHBondContact O-CG2 3.49Å; V661-V665 PolarHBondContact O-N 3.03Å; V665-Q669 CarbonylContact O-C 3.58Å; V665-Q669 WeakPolarHBondContact O-CA 3.46Å; V665-Q669 PolarHBondContact O-N 3.4Å; V665-L670 HydrophobicContact CB-CB 4.48Å; V665-L670 HydrophobicContact CG1-CB 4.4Å; V665-L670 HydrophobicContact CG2-CB 4.32Å; V665-L670 HydrophobicContact CG2-CD1 3.97Å; V665-L670 PolarHBondContact O-N 3.44Å; V665-L670 VanDerWaalsContact O-N 3.08Å; V665-I677 HydrophobicContact CG2-CD1 4.34Å
666	R	92	Very high	91.7	Very high	189 Å²	189	37.1 Å²	37.1	71%	0.713	17%	0.167	S	C	*	.	H	α-helix	trans	-68	-46.4	178.6	-71.3	175.9	-163.7	167.2	8.6	112	D662 R663 A664	D662-R666 WeakPolarHBondContact O-CB 3.22Å; D662-R666 VanDerWaalsContact O-CG 3.25Å; D662-R666 WeakPolarHBondContact O-CG 3.5Å; D662-R666 PolarHBondContact O-N 2.7Å; R663-R666 PolarHBondContact O-N 3.38Å; A664-R666 PolarHBondContact O-N 3.46Å
667	Y	92.3	Very high	92.1	Very high	70 Å²	70	35.5 Å²	35.5	28%	0.275	16%	0.16	S	C	.	.	H	α-helix	trans	-66.6	-47.3	-176.5	-174.8	-87.5	0	0	0	112	F555 R559 R663 A664 Q669 Q777	F555-Y667 HydrophobicContact CE1-CE1 4.35Å; F555-Y667 AromaticContact CZ-CE1 3.9Å; F555-Y667 HydrophobicContact CZ-CE1 3.9Å; R559-Y667 HydrophobicContact CB-CD1 3.95Å; R559-Y667 HydrophobicContact CB-CD2 4.18Å; R559-Y667 HydrophobicContact CB-CE1 3.6Å; R559-Y667 HydrophobicContact CB-CE2 3.81Å; R559-Y667 HydrophobicContact CB-CG 4.26Å; R559-Y667 WeakPolarHBondContact CD-OH 3.2Å; R559-Y667 HydrophobicContact CG-CE1 3.7Å; R559-Y667 HydrophobicContact CG-CE2 4.08Å; R559-Y667 VanDerWaalsContact CG-CZ 3.44Å; R559-Y667 WeakPolarHBondContact CG-OH 3.43Å; R559-Y667 PolarHBondContact NE-OH 3Å; R663-Y667 WeakPolarHBondContact O-CB 3.25Å; R663-Y667 PolarHBondContact O-N 3.36Å; A664-Y667 PolarHBondContact O-N 2.9Å; Y667-Q669 VanDerWaalsContact C-N 3.32Å; Y667-Q777 PolarHBondContact OH-OE1 3.43Å
668	L	92.6	Very high	92.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-86.8	-2	-178.5	-62.3	173.9	0	0	0	113.3	F555 L556 A664 L670 C734 F736 L774	F555-L668 HydrophobicContact CE1-CD2 4.34Å; L556-L668 HydrophobicContact CD1-CD1 3.82Å; A664-L668 WeakPolarHBondContact O-CB 3.1Å; A664-L668 PolarHBondContact O-N 3.3Å; L668-L670 VanDerWaalsContact C-N 3.27Å; L668-L670 HydrophobicContact CB-CD2 3.49Å; L668-L670 VanDerWaalsContact CB-CD2 3.49Å; L668-L670 HydrophobicContact CB-CG 3.8Å; L668-L670 HydrophobicContact CD1-CD2 3.96Å; L668-L670 HydrophobicContact CD1-CG 4.46Å; L668-L670 HydrophobicContact CG-CD2 4.4Å; L668-L670 PolarHBondContact O-N 2.9Å; L668-C734 HydrophobicContact CD1-CB 4.16Å; L668-F736 HydrophobicContact CD1-CZ 4.32Å; L668-L774 HydrophobicContact CD2-CD2 4.3Å
669	Q	92.6	Very high	92.7	Very high	99 Å²	99	32.7 Å²	32.7	46%	0.463	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	45.8	-175.5	-53.5	-174.6	-92.8	0	0	112.6	V665 Y667 N671 N672 L770	V665-Q669 CarbonylContact O-C 3.58Å; V665-Q669 WeakPolarHBondContact O-CA 3.46Å; V665-Q669 PolarHBondContact O-N 3.4Å; Y667-Q669 VanDerWaalsContact C-N 3.32Å; Q669-N671 PolarHBondContact O-N 2.92Å; Q669-N672 PolarHBondContact O-N 2.86Å; Q669-N672 VanDerWaalsContact O-N 3.08Å; Q669-L770 HydrophobicContact CB-CD1 3.96Å; Q669-L770 HydrophobicContact CB-CD2 4.21Å; Q669-L770 HydrophobicContact CG-CD1 4.23Å
670	L	93	Very high	92.8	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-61.2	-9.9	-171.5	-62.3	-177.8	0	0	0	114.6	F638 V665 L668 N672 L673 I677 F736	F638-L670 HydrophobicContact CB-CB 3.99Å; F638-L670 HydrophobicContact CB-CD1 4.43Å; F638-L670 HydrophobicContact CD1-CD1 3.84Å; F638-L670 HydrophobicContact CD2-CB 3.79Å; F638-L670 HydrophobicContact CD2-CD1 4.47Å; F638-L670 HydrophobicContact CD2-CD2 4.1Å; F638-L670 HydrophobicContact CD2-CG 4.33Å; F638-L670 HydrophobicContact CE1-CD1 4.12Å; F638-L670 HydrophobicContact CE1-CD2 4.28Å; F638-L670 HydrophobicContact CE2-CB 4.4Å; F638-L670 HydrophobicContact CE2-CD2 3.83Å; F638-L670 HydrophobicContact CG-CB 3.87Å; F638-L670 HydrophobicContact CG-CD1 4.02Å; F638-L670 HydrophobicContact CG-CD2 4.44Å; F638-L670 HydrophobicContact CG-CG 4.33Å; F638-L670 HydrophobicContact CZ-CD2 3.93Å; V665-L670 HydrophobicContact CB-CB 4.48Å; V665-L670 HydrophobicContact CG1-CB 4.4Å; V665-L670 HydrophobicContact CG2-CB 4.32Å; V665-L670 HydrophobicContact CG2-CD1 3.97Å; V665-L670 PolarHBondContact O-N 3.44Å; V665-L670 VanDerWaalsContact O-N 3.08Å; L668-L670 VanDerWaalsContact C-N 3.27Å; L668-L670 HydrophobicContact CB-CD2 3.49Å; L668-L670 VanDerWaalsContact CB-CD2 3.49Å; L668-L670 HydrophobicContact CB-CG 3.8Å; L668-L670 HydrophobicContact CD1-CD2 3.96Å; L668-L670 HydrophobicContact CD1-CG 4.46Å; L668-L670 HydrophobicContact CG-CD2 4.4Å; L668-L670 PolarHBondContact O-N 2.9Å; L670-N672 PolarHBondContact O-N 3.47Å; L670-L673 HydrophobicContact CD2-CD1 4.26Å; L670-L673 PolarHBondContact O-N 3.2Å; L670-L673 VanDerWaalsContact O-O 3.08Å; L670-I677 HydrophobicContact CD1-CD1 3.66Å; L670-I677 HydrophobicContact CD1-CG1 4.03Å; L670-F736 HydrophobicContact CD2-CE1 3.74Å; L670-F736 HydrophobicContact CD2-CZ 4.39Å
671	N	91	Very high	92.8	Very high	68 Å²	68	32.8 Å²	32.8	36%	0.364	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-67.2	-15.8	174	-65.7	-16.5	0	0	0	113.7	Q669	Q669-N671 PolarHBondContact O-N 2.92Å
672	N	90.1	Very high	92.4	Very high	52 Å²	52	33.4 Å²	33.4	28%	0.278	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-106.3	0.7	178.5	-61.8	-41.4	0	0	0	113.1	Q669 L670 L770	Q669-N672 PolarHBondContact O-N 2.86Å; Q669-N672 VanDerWaalsContact O-N 3.08Å; L670-N672 PolarHBondContact O-N 3.47Å; N672-L770 HydrophobicContact CB-CD2 3.65Å
673	L	92.5	Very high	91.3	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	15%	0.15	C	C	.	.	S	Bend	trans	-122.7	167.9	-176.4	-64.4	170.8	0	0	0	109.4	L540 F638 P639 L670 F736 L758 L767 L770 L774	L540-L673 HydrophobicContact CD2-CD2 4.5Å; F638-L673 HydrophobicContact CD2-CB 4.34Å; F638-L673 WeakPolarHBondContact CD2-O 3.48Å; F638-L673 HydrophobicContact CE2-CB 3.86Å; P639-L673 WeakPolarHBondContact CD-O 3.32Å; P639-L673 VanDerWaalsContact CG-O 3.24Å; P639-L673 WeakPolarHBondContact CG-O 3.24Å; L670-L673 HydrophobicContact CD2-CD1 4.26Å; L670-L673 PolarHBondContact O-N 3.2Å; L670-L673 VanDerWaalsContact O-O 3.08Å; L673-F736 HydrophobicContact CB-CD1 4.36Å; L673-F736 HydrophobicContact CD1-CD1 4.1Å; L673-F736 HydrophobicContact CD1-CE1 3.66Å; L673-L758 WeakPolarHBondContact O-CD1 3.34Å; L673-L767 HydrophobicContact CD2-CD1 3.4Å; L673-L770 HydrophobicContact CD1-CD2 4.36Å; L673-L770 HydrophobicContact CD2-CD2 4.49Å; L673-L770 HydrophobicContact CG-CD2 4.17Å; L673-L774 HydrophobicContact CD1-CD1 4.18Å
674	C	93.2	Very high	89.5	Confident	1 Å²	1	31 Å²	31	1%	0.007	15%	0.15	C	C	.	.			trans	-124.5	148	172.5	73.6	0	0	0	0	111.5	F638 F736 G737 V749 L753 L758	F638-C674 WeakPolarHBondContact CE2-O 3.47Å; F638-C674 WeakPolarHBondContact O-CA 3.3Å; C674-F736 WeakPolarHBondContact O-CA 3.38Å; C674-G737 PolarHBondContact O-N 3.4Å; C674-V749 HydrophobicContact CB-CG1 4.22Å; C674-L753 HydrophobicContact CB-CD1 3.86Å; C674-L758 HydrophobicContact CB-CD1 4.28Å
675	G	94.9	Very high	87.4	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.4	-155.9	-177.3	0	0	0	0	0	112.5	P637 F638 V735 G737 V749	P637-G675 CarbonylContact C-O 3.52Å; P637-G675 WeakPolarHBondContact CA-O 3.49Å; F638-G675 VanDerWaalsContact CD1-C 3.48Å; F638-G675 VanDerWaalsContact CE2-N 3.31Å; F638-G675 VanDerWaalsContact CZ-CA 3.42Å; F638-G675 PolarHBondContact N-O 3.43Å; F638-G675 PolarHBondContact O-N 3.01Å; G675-V735 CarbonylContact C-O 3.52Å; G675-V735 VanDerWaalsContact CA-O 3.25Å; G675-V735 WeakPolarHBondContact CA-O 3.25Å; G675-G737 WeakPolarHBondContact CA-O 3.48Å; G675-V749 WeakPolarHBondContact O-CG2 3.33Å
676	Y	95.5	Very high	84.7	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	144.7	179	60	-82.9	0	0	0	112.4	A523 H635 I636 T678 R712 V735 P739 F741 L745	A523-Y676 HydrophobicContact CB-CE1 3.86Å; H635-Y676 HydrophobicContact CB-CD2 4.12Å; H635-Y676 AromaticContact ND1-CD2 3.6Å; H635-Y676 AromaticContact ND1-CE2 3.76Å; I636-Y676 CarbonylContact O-C 3.59Å; I636-Y676 VanDerWaalsContact O-CA 3.27Å; I636-Y676 WeakPolarHBondContact O-CA 3.31Å; Y676-T678 WeakPolarHBondContact CE2-OG1 3.46Å; Y676-R712 PolarHBondContact OH-O 3.33Å; Y676-V735 HydrophobicContact CD1-CB 4.37Å; Y676-V735 HydrophobicContact CD2-CB 4.44Å; Y676-V735 HydrophobicContact CE1-CB 3.82Å; Y676-V735 HydrophobicContact CE1-CG1 4.05Å; Y676-V735 HydrophobicContact CE2-CB 3.91Å; Y676-V735 HydrophobicContact CE2-CG2 3.8Å; Y676-V735 PolarHBondContact N-O 3.27Å; Y676-V735 PolarHBondContact O-N 3.11Å; Y676-P739 HydrophobicContact CD1-CB 4.02Å; Y676-P739 HydrophobicContact CD1-CG 3.97Å; Y676-P739 HydrophobicContact CE1-CB 3.73Å; Y676-P739 HydrophobicContact CE1-CG 4.19Å; Y676-F741 HydrophobicContact CE1-CE1 4.08Å; Y676-F741 HydrophobicContact CE1-CZ 4.4Å; Y676-F741 HydrophobicContact CE2-CE1 4.44Å; Y676-F741 HydrophobicContact CE2-CZ 4.1Å; Y676-F741 AromaticContact CZ-CE1 3.71Å; Y676-F741 AromaticContact CZ-CZ 3.84Å; Y676-F741 WeakPolarHBondContact OH-CE1 3.25Å; Y676-L745 HydrophobicContact CD1-CD2 3.98Å; Y676-L745 HydrophobicContact CD2-CD2 4.11Å; Y676-L745 HydrophobicContact CE1-CD2 4.45Å; Y676-L745 HydrophobicContact CG-CD2 3.81Å
677	I	95.6	Very high	82	Confident	1 Å²	1	35 Å²	35	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	133.2	168.9	-66	164.9	0	0	0	107.8	H635 I636 F638 V661 A664 V665 L670 L679 L731	H635-I677 CarbonylContact C-O 3.46Å; H635-I677 WeakPolarHBondContact CA-O 3.43Å; I636-I677 HydrophobicContact CB-CB 4.38Å; I636-I677 PolarHBondContact N-O 3.35Å; I636-I677 PolarHBondContact O-N 2.88Å; F638-I677 HydrophobicContact CD1-CG1 4.15Å; F638-I677 HydrophobicContact CE1-CG1 4.36Å; V661-I677 HydrophobicContact CG1-CD1 3.77Å; A664-I677 HydrophobicContact CB-CD1 4.14Å; V665-I677 HydrophobicContact CG2-CD1 4.34Å; L670-I677 HydrophobicContact CD1-CD1 3.66Å; L670-I677 HydrophobicContact CD1-CG1 4.03Å; I677-L679 HydrophobicContact CG2-CD2 4.13Å; I677-L731 HydrophobicContact CG2-CD1 3.41Å; I677-L731 VanDerWaalsContact CG2-CD1 3.41Å
678	T	94.1	Very high	79	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	121.2	172.7	-57.7	0	0	0	0	109.1	V633 H635 Y676 F732 D733	V633-T678 HydrophobicContact CB-CG2 4.33Å; V633-T678 HydrophobicContact CG1-CG2 4.46Å; H635-T678 PolarHBondContact ND1-OG1 3.45Å; H635-T678 VanDerWaalsContact ND1-OG1 3.11Å; Y676-T678 WeakPolarHBondContact CE2-OG1 3.46Å; T678-F732 HydrophobicContact CG2-CB 4.13Å; T678-F732 HydrophobicContact CG2-CD1 4.11Å; T678-F732 HydrophobicContact CG2-CG 4.49Å; T678-F732 WeakPolarHBondContact O-CA 3.1Å; T678-F732 VanDerWaalsContact O-CB 3.32Å; T678-F732 WeakPolarHBondContact O-CB 3.24Å; T678-F732 PolarHBondContact O-N 3.48Å; T678-D733 PolarHBondContact N-O 2.88Å; T678-D733 PolarHBondContact O-N 2.93Å
679	L	94.1	Very high	76	Confident	0 Å²	0	46 Å²	46	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	138.8	166.7	-59.9	-175.8	0	0	0	108.9	V633 V634 I636 L655 V660 V661 I677 W729 A730 L731	V633-L679 VanDerWaalsContact CA-O 3.29Å; V633-L679 WeakPolarHBondContact CA-O 3.42Å; V634-L679 PolarHBondContact N-O 3.49Å; V634-L679 PolarHBondContact O-N 2.79Å; I636-L679 HydrophobicContact CD1-CD1 3.61Å; I636-L679 HydrophobicContact CD1-CG 4.05Å; L655-L679 HydrophobicContact CB-CD1 4.22Å; L655-L679 HydrophobicContact CD2-CD1 4.32Å; V660-L679 HydrophobicContact CG1-CD2 3.92Å; V661-L679 HydrophobicContact CG2-CD1 4.08Å; V661-L679 HydrophobicContact CG2-CD2 4.47Å; I677-L679 HydrophobicContact CG2-CD2 4.13Å; L679-W729 HydrophobicContact CB-CE3 3.88Å; L679-W729 HydrophobicContact CB-CZ3 4.46Å; L679-A730 WeakPolarHBondContact CA-O 3.48Å; L679-L731 HydrophobicContact CD2-CB 4.44Å; L679-L731 HydrophobicContact CD2-CD1 4.22Å
680	I	92.1	Very high	73	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140.4	177.7	-167.8	165.7	0	0	0	110.4	L624 M631 V633 V682 P711 W729 A730 F732	L624-I680 HydrophobicContact CD1-CD1 4.21Å; L624-I680 HydrophobicContact CD2-CD1 3.8Å; L624-I680 HydrophobicContact CD2-CG1 4.35Å; M631-I680 HydrophobicContact CG-CD1 4.24Å; M631-I680 HydrophobicContact SD-CD1 3.85Å; V633-I680 HydrophobicContact CG1-CG1 4.24Å; I680-V682 HydrophobicContact CG2-CG2 3.88Å; I680-V682 PolarHBondContact O-N 3.36Å; I680-P711 HydrophobicContact CD1-CB 4.14Å; I680-P711 HydrophobicContact CD1-CG 4.19Å; I680-W729 WeakPolarHBondContact O-CA 3.38Å; I680-A730 PolarHBondContact N-O 2.91Å; I680-A730 PolarHBondContact O-N 3Å; I680-F732 HydrophobicContact CB-CB 3.95Å; I680-F732 HydrophobicContact CB-CD2 4.2Å; I680-F732 HydrophobicContact CB-CG 4.27Å; I680-F732 HydrophobicContact CD1-CD2 4.02Å; I680-F732 HydrophobicContact CD1-CE2 4.26Å; I680-F732 HydrophobicContact CG2-CB 3.79Å; I680-F732 HydrophobicContact CG2-CD2 3.82Å; I680-F732 HydrophobicContact CG2-CG 4.19Å
681	L	90.2	Very high	70	Confident	38 Å²	38	56.2 Å²	56.2	20%	0.199	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	107.2	170.2	-174.2	74.3	0	0	0	109.3	Q632 N728 W729	Q632-L681 HydrophobicContact CB-CB 4.02Å; Q632-L681 HydrophobicContact CB-CD2 4.24Å; Q632-L681 HydrophobicContact CG-CD2 4.48Å; Q632-L681 PolarHBondContact O-N 3.45Å; L681-N728 HydrophobicContact CD1-CB 3.7Å; L681-W729 HydrophobicContact CB-CD2 4.41Å; L681-W729 HydrophobicContact CB-CE3 4.34Å; L681-W729 HydrophobicContact CB-CH2 4.15Å; L681-W729 HydrophobicContact CB-CZ2 4.21Å; L681-W729 HydrophobicContact CB-CZ3 4.22Å; L681-W729 HydrophobicContact CD1-CD2 4.2Å; L681-W729 HydrophobicContact CD1-CG 4.4Å; L681-W729 HydrophobicContact CD1-CZ2 4.1Å
682	V	85	Confident	66.9	Low	14 Å²	14	61 Å²	61	9%	0.085	35%	0.351	C	S	.	.			trans	-87.4	-31.4	177	-179.5	0	0	0	0	110.7	P564 Y585 L624 N625 I680 N728 A730	P564-V682 HydrophobicContact CB-CG2 4.24Å; Y585-V682 HydrophobicContact CD1-CG1 4.25Å; Y585-V682 HydrophobicContact CE1-CG1 3.51Å; L624-V682 HydrophobicContact CD2-CG2 4.26Å; N625-V682 WeakPolarHBondContact CB-O 3.39Å; N625-V682 PolarHBondContact N-O 2.94Å; N625-V682 PolarHBondContact ND2-O 3.47Å; I680-V682 HydrophobicContact CG2-CG2 3.88Å; I680-V682 PolarHBondContact O-N 3.36Å; V682-N728 PolarHBondContact N-O 3.01Å; V682-A730 HydrophobicContact CG2-CB 3.65Å
683	G	68.4	Low	63.9	Low	23 Å²	23	63.2 Å²	63.2	24%	0.237	38%	0.377	C	S	.	.			trans	73.4	130.9	-176.2	0	0	0	0	0	112.4	N625 N728	N625-G683 PolarHBondContact ND2-O 3.4Å; G683-N728 PolarHBondContact N-O 3.22Å
684	N	54.3	Low	60.7	Low	80 Å²	80	69.3 Å²	69.3	43%	0.428	41%	0.414	S	S	.	.			trans	-74.3	134.3	171.9	-104.7	-30.7	0	0	0	111.3	S686 N728	N684-S686 PolarHBondContact O-N 3.35Å; N684-N728 WeakPolarHBondContact CB-OD1 3.29Å; N684-N728 PolarHBondContact N-OD1 3.39Å
685	S	48	Very low	57.5	Low	85 Å²	85	77.7 Å²	77.7	59%	0.594	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-4.7	173.7	60.8	0	0	0	0	114.8
686	S	38.2	Very low	54.2	Low	92 Å²	92	87.1 Å²	87.1	64%	0.643	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	0.3	-169.2	53.5	0	0	0	0	116	N684	N684-S686 PolarHBondContact O-N 3.35Å
687	V	35.1	Very low	51	Low	111 Å²	111	92 Å²	92	67%	0.673	53%	0.527	S	S	*	.	S	Bend	trans	-121	111	-178	-173.1	0	0	0	0	112.2	S689	V687-S689 PolarHBondContact O-N 3.05Å; V687-S689 VanDerWaalsContact O-N 3.13Å
688	Q	29.1	Very low	47.6	Very low	190 Å²	190	99 Å²	99	89%	0.888	57%	0.565	S	S	*	*			trans	-14.7	97	161.1	-63.7	170.3	-13.7	0	0	115.9
689	S	30.2	Very low	44.5	Very low	111 Å²	111	105.5 Å²	105.5	78%	0.776	60%	0.6	S	S	*	*			trans	-131.1	38.4	157.1	67.7	0	0	0	0	111.6	V687	V687-S689 PolarHBondContact O-N 3.05Å; V687-S689 VanDerWaalsContact O-N 3.13Å
690	V	29.4	Very low	41.4	Very low	135 Å²	135	112.4 Å²	112.4	82%	0.818	64%	0.636	S	S	*	*			trans	-95	14.6	179.9	-171.6	0	0	0	0	112.9
691	Q	28.5	Very low	38.3	Very low	178 Å²	178	121.9 Å²	121.9	83%	0.832	68%	0.678	S	S	*	*	S	Bend	trans	-119.6	-9.6	-176	-75.5	-171.9	-16.6	0	0	118.7
692	N	26.1	Very low	35.2	Very low	169 Å²	169	122.7 Å²	122.7	90%	0.904	70%	0.695	S	S	*	*	S	Bend	trans	-121.3	16.3	-174.9	-74.5	-0.8	0	0	0	116.8
693	A	26.9	Very low	32.5	Very low	98 Å²	98	131.4 Å²	131.4	81%	0.81	73%	0.731	S	S	*	*			trans	-123.6	19.5	178.3	0	0	0	0	0	114.8	E695	A693-E695 PolarHBondContact O-N 3.15Å
694	V	26.2	Very low	30.6	Very low	130 Å²	130	134.3 Å²	134.3	79%	0.788	75%	0.754	S	S	*	*			trans	-99.1	71.8	171.9	-172.8	0	0	0	0	108.5
695	E	26.2	Very low	29.4	Very low	177 Å²	177	135.6 Å²	135.6	83%	0.827	77%	0.769	S	S	*	*			trans	-172.6	81.6	164.5	-107.9	171.6	-138.8	0	0	109.8	A693	A693-E695 PolarHBondContact O-N 3.15Å
696	K	25.4	Very low	28.5	Very low	198 Å²	198	135.1 Å²	135.1	86%	0.861	76%	0.759	S	S	*	*	S	Bend	trans	158	142.1	135.5	-85.5	162.8	-178.1	174.9	0	113.7
697	S	28.4	Very low	28.9	Very low	101 Å²	101	132.4 Å²	132.4	71%	0.706	74%	0.74	S	S	*	*			trans	69.4	93.9	162.6	52.3	0	0	0	0	119	D699	S697-D699 PolarHBondContact O-N 2.71Å; S697-D699 VanDerWaalsContact O-N 3.17Å
698	D	24.1	Very low	29.8	Very low	150 Å²	150	132 Å²	132	80%	0.802	73%	0.73	S	S	*	*			trans	-48.9	100.1	139.7	-81.2	-41.4	0	0	0	110.4
699	D	28.2	Very low	31.8	Very low	135 Å²	135	126.5 Å²	126.5	72%	0.722	70%	0.704	S	S	*	*			trans	-139.5	72.5	157.7	-93.2	-32.6	0	0	0	108	S697 F701 G702	S697-D699 PolarHBondContact O-N 2.71Å; S697-D699 VanDerWaalsContact O-N 3.17Å; D699-F701 PolarHBondContact O-N 3.3Å; D699-G702 PolarHBondContact O-N 2.98Å; D699-G702 VanDerWaalsContact O-N 3.13Å
700	L	30	Very low	34.3	Very low	145 Å²	145	121.7 Å²	121.7	76%	0.759	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-2.6	-176.4	-104	109.7	0	0	0	115.2
701	F	26.5	Very low	36.9	Very low	200 Å²	200	115.2 Å²	115.2	88%	0.877	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.2	24	176.5	-78.6	-85.4	0	0	0	112.7	D699 K703	D699-F701 PolarHBondContact O-N 3.3Å; F701-K703 PolarHBondContact O-N 3.17Å
702	G	24.6	Very low	39.6	Very low	54 Å²	54	108.5 Å²	108.5	56%	0.557	60%	0.597	S	S	*	*			trans	-57.4	110.3	165.9	0	0	0	0	0	108.3	D699 A704	D699-G702 PolarHBondContact O-N 2.98Å; D699-G702 VanDerWaalsContact O-N 3.13Å; G702-A704 PolarHBondContact O-N 3.37Å
703	K	27.9	Very low	42.3	Very low	197 Å²	197	103.8 Å²	103.8	86%	0.857	57%	0.569	S	S	*	*			trans	-26.6	116.7	171.9	-68.5	170.8	177.4	175.9	0	108.3	F701 S705	F701-K703 PolarHBondContact O-N 3.17Å; K703-S705 PolarHBondContact O-N 2.95Å
704	A	28.4	Very low	44.9	Very low	85 Å²	85	100.3 Å²	100.3	70%	0.702	54%	0.537	S	S	*	.			trans	-56	90.3	170.8	0	0	0	0	0	106.3	G702 L706	G702-A704 PolarHBondContact O-N 3.37Å; A704-L706 PolarHBondContact O-N 2.9Å
705	S	29.3	Very low	47.4	Very low	107 Å²	107	98.5 Å²	98.5	75%	0.748	53%	0.527	S	S	*	.			trans	-73.3	85.5	176	-175.6	0	0	0	0	102.4	K703 S707	K703-S705 PolarHBondContact O-N 2.95Å; S705-S707 PolarHBondContact O-N 3.12Å
706	L	30.1	Very low	49.7	Very low	74 Å²	74	92.2 Å²	92.2	39%	0.387	51%	0.505	S	S	.	.			trans	-57.3	94.9	174.7	-66.7	164.8	0	0	0	104.9	L601 A704 H708	L601-L706 HydrophobicContact CD2-CD2 3.86Å; A704-L706 PolarHBondContact O-N 2.9Å; L706-H708 VanDerWaalsContact C-N 3.31Å; L706-H708 PolarHBondContact O-CD2 3.15Å; L706-H708 PolarHBondContact O-N 3.08Å
707	S	46.3	Very low	51.6	Low	35 Å²	35	85 Å²	85	25%	0.245	48%	0.483	C	S	.	.			trans	-72.8	96.8	176.2	54	0	0	0	0	105.9	A628 S705 K709	A628-S707 WeakPolarHBondContact CB-OG 3.42Å; S705-S707 PolarHBondContact O-N 3.12Å; S707-K709 PolarHBondContact O-N 3.01Å; S707-K709 VanDerWaalsContact O-N 3.12Å
708	H	54.7	Low	53.3	Low	102 Å²	102	84.7 Å²	84.7	47%	0.472	47%	0.467	S	S	.	.			trans	-72.6	98.9	176.4	-66.7	-70	0	0	0	108.4	D597 L706	D597-H708 HydrophobicContact CB-CB 3.82Å; D597-H708 VanDerWaalsContact CB-ND1 3.3Å; D597-H708 WeakPolarHBondContact CB-ND1 3.06Å; L706-H708 VanDerWaalsContact C-N 3.31Å; L706-H708 PolarHBondContact O-CD2 3.15Å; L706-H708 PolarHBondContact O-N 3.08Å
709	K	70	Confident	55.1	Low	75 Å²	75	82 Å²	82	33%	0.326	46%	0.458	S	S	.	.			trans	-137.9	97.4	179.7	-77.1	-176.7	175.8	-176.6	0	108.7	M631 S707 P711 L714	M631-K709 HydrophobicContact CE-CB 4.29Å; M631-K709 WeakPolarHBondContact CE-O 3.34Å; S707-K709 PolarHBondContact O-N 3.01Å; S707-K709 VanDerWaalsContact O-N 3.12Å; K709-P711 WeakPolarHBondContact O-CD 3.32Å; K709-L714 HydrophobicContact CB-CD2 4.09Å; K709-L714 HydrophobicContact CD-CD2 4.04Å; K709-L714 HydrophobicContact CG-CD2 4.12Å
710	D	83.6	Confident	56.7	Low	10 Å²	10	76.5 Å²	76.5	5%	0.053	43%	0.429	C	S	.	.			trans	-67	118.1	171.4	-173.7	-18.4	0	0	0	109.7	P598 R712 K713 L714	P598-D710 HydrophobicContact CG-CB 4.26Å; D710-R712 PolarHBondContact O-N 2.7Å; D710-R712 WeakPolarHBondContact OD1-CB 3.33Å; D710-R712 IonicContact OD1-CZ 3.87Å; D710-R712 PolarHBondContact OD1-N 3.47Å; D710-R712 IonicContact OD1-NE 3.78Å; D710-R712 PolarHBondContact OD1-NE 3.3Å; D710-R712 IonicContact OD1-NH2 3.92Å; D710-R712 IonicContact OD2-CZ 3.62Å; D710-R712 IonicContact OD2-NE 3.58Å; D710-R712 PolarHBondContact OD2-NE 3.36Å; D710-R712 VanDerWaalsContact OD2-NE 3.1Å; D710-R712 IonicContact OD2-NH2 2.74Å; D710-R712 PolarHBondContact OD2-NH2 3.04Å; D710-K713 HydrophobicContact CB-CB 4.42Å; D710-K713 HydrophobicContact CB-CD 4.28Å; D710-K713 HydrophobicContact CB-CG 4.3Å; D710-K713 PolarHBondContact O-N 2.95Å; D710-L714 PolarHBondContact O-N 2.81Å
711	P	84.7	Confident	58.2	Low	0 Å²	0	75.1 Å²	75.1	0%	0	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-26.2	178.7	-21	29.6	0	0	0	113.7	L589 M631 V633 I680 K709 K713 F732	L589-P711 HydrophobicContact CD2-CG 3.99Å; M631-P711 HydrophobicContact CE-CB 3.96Å; M631-P711 HydrophobicContact CE-CG 3.55Å; M631-P711 HydrophobicContact SD-CB 4.36Å; M631-P711 HydrophobicContact SD-CG 3.87Å; V633-P711 HydrophobicContact CG1-CB 3.9Å; I680-P711 HydrophobicContact CD1-CB 4.14Å; I680-P711 HydrophobicContact CD1-CG 4.19Å; K709-P711 WeakPolarHBondContact O-CD 3.32Å; P711-K713 VanDerWaalsContact C-N 3.29Å; P711-K713 PolarHBondContact O-N 3.5Å; P711-F732 HydrophobicContact CB-CD1 4.01Å; P711-F732 HydrophobicContact CB-CE1 3.71Å; P711-F732 HydrophobicContact CB-CE2 4.44Å; P711-F732 HydrophobicContact CB-CZ 3.95Å; P711-F732 HydrophobicContact CG-CE1 3.82Å; P711-F732 HydrophobicContact CG-CE2 4.08Å; P711-F732 HydrophobicContact CG-CZ 3.56Å
712	R	85	Confident	60.3	Low	36 Å²	36	66.9 Å²	66.9	14%	0.136	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-21.5	-179.7	-62.3	166.3	-62.8	-173	3	113	H635 Y676 D710 F732 D733 V735 F741	H635-R712 PolarHBondContact CE1-O 2.93Å; Y676-R712 PolarHBondContact OH-O 3.33Å; D710-R712 PolarHBondContact O-N 2.7Å; D710-R712 WeakPolarHBondContact OD1-CB 3.33Å; D710-R712 IonicContact OD1-CZ 3.87Å; D710-R712 PolarHBondContact OD1-N 3.47Å; D710-R712 IonicContact OD1-NE 3.78Å; D710-R712 PolarHBondContact OD1-NE 3.3Å; D710-R712 IonicContact OD1-NH2 3.92Å; D710-R712 IonicContact OD2-CZ 3.62Å; D710-R712 IonicContact OD2-NE 3.58Å; D710-R712 PolarHBondContact OD2-NE 3.36Å; D710-R712 VanDerWaalsContact OD2-NE 3.1Å; D710-R712 IonicContact OD2-NH2 2.74Å; D710-R712 PolarHBondContact OD2-NH2 3.04Å; R712-F732 HydrophobicContact CG-CD1 4.09Å; R712-F732 HydrophobicContact CG-CE1 3.85Å; R712-D733 WeakPolarHBondContact CD-OD2 3.42Å; R712-D733 HydrophobicContact CG-CB 4.2Å; R712-D733 IonicContact NH1-OD2 3.79Å; R712-V735 HydrophobicContact CB-CG2 4.4Å; R712-V735 HydrophobicContact CG-CG2 4.2Å; R712-F741 WeakPolarHBondContact O-CZ 3.22Å
713	K	81.9	Confident	62.8	Low	70 Å²	70	69.3 Å²	69.3	30%	0.304	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-2.2	-176.3	-59.9	179.1	-177.1	175.2	0	112.7	P524 D710 P711 F741	P524-K713 HydrophobicContact CG-CD 4.25Å; P524-K713 HydrophobicContact CG-CG 3.93Å; D710-K713 HydrophobicContact CB-CB 4.42Å; D710-K713 HydrophobicContact CB-CD 4.28Å; D710-K713 HydrophobicContact CB-CG 4.3Å; D710-K713 PolarHBondContact O-N 2.95Å; P711-K713 VanDerWaalsContact C-N 3.29Å; P711-K713 PolarHBondContact O-N 3.5Å; K713-F741 VanDerWaalsContact O-CD2 3.25Å; K713-F741 WeakPolarHBondContact O-CD2 3.47Å
714	L	81.9	Confident	65.5	Low	26 Å²	26	62 Å²	62	14%	0.136	36%	0.358	C	S	.	.	S	Bend	trans	-71.8	145.8	-179.1	-79.1	-175.6	0	0	0	111.4	M631 V633 H635 K709 D710	M631-L714 HydrophobicContact CB-CD1 4.41Å; M631-L714 HydrophobicContact CE-CD1 3.31Å; M631-L714 HydrophobicContact CE-CG 4.34Å; M631-L714 HydrophobicContact CG-CD1 4.25Å; V633-L714 HydrophobicContact CG1-CD1 4.39Å; V633-L714 HydrophobicContact CG2-CB 3.55Å; V633-L714 HydrophobicContact CG2-CD1 4.47Å; H635-L714 PolarHBondContact NE2-O 2.61Å; K709-L714 HydrophobicContact CB-CD2 4.09Å; K709-L714 HydrophobicContact CD-CD2 4.04Å; K709-L714 HydrophobicContact CG-CD2 4.12Å; D710-L714 PolarHBondContact O-N 2.81Å
715	P	77.8	Confident	68.2	Low	92 Å²	92	62.7 Å²	62.7	60%	0.597	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-64	143.2	168.5	28.4	-33.1	0	0	0	109.9	A717	P715-A717 PolarHBondContact O-N 3.12Å
716	A	74.5	Confident	71	Confident	44 Å²	44	58.2 Å²	58.2	36%	0.364	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-60.8	133	177.3	0	0	0	0	0	110.5	V633 Y718	V633-A716 WeakPolarHBondContact O-CA 3.25Å; A716-Y718 VanDerWaalsContact C-N 3.32Å
717	A	65.9	Low	73.7	Confident	48 Å²	48	57.7 Å²	57.7	40%	0.397	32%	0.32	S	S	.	.	S	Bend	trans	-72.4	-28.1	-177.6	0	0	0	0	0	112.7	Q632 V633 P715	Q632-A717 HydrophobicContact CB-CB 3.83Å; Q632-A717 HydrophobicContact CG-CB 3.82Å; V633-A717 PolarHBondContact O-N 3.33Å; P715-A717 PolarHBondContact O-N 3.12Å
718	Y	63.2	Low	75.7	Confident	94 Å²	94	57.7 Å²	57.7	37%	0.369	32%	0.317	S	S	.	.	S	Bend	trans	-138.2	156.6	179.9	-59	-72.7	0	0	0	110.4	Q632 A716	Q632-Y718 VanDerWaalsContact OE1-CE2 3.27Å; A716-Y718 VanDerWaalsContact C-N 3.32Å
719	P	63.6	Low	77.4	Confident	94 Å²	94	53.1 Å²	53.1	61%	0.61	30%	0.295	S	S	*	.			trans	-56.1	145.5	161.1	-15.8	28.8	0	0	0	109.7	D721 A722	P719-D721 PolarHBondContact O-N 3.02Å; P719-D721 VanDerWaalsContact O-N 3.09Å; P719-A722 WeakPolarHBondContact O-CB 3.34Å; P719-A722 PolarHBondContact O-N 2.91Å
720	C	60.4	Low	78.5	Confident	18 Å²	18	50 Å²	50	12%	0.122	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-17.6	-176.5	-145	0	0	0	0	113.6	V634 L655 E656 A722	V634-C720 HydrophobicContact CG1-CB 4.3Å; V634-C720 WeakPolarHBondContact CG1-SG 3.36Å; L655-C720 PolarHBondContact N-O 3.29Å; L655-C720 VanDerWaalsContact N-O 3.12Å; E656-C720 HydrophobicContact CG-CB 3.63Å; E656-C720 WeakPolarHBondContact CG-SG 3.39Å; E656-C720 WeakPolarHBondContact OE1-CB 3.27Å; C720-A722 VanDerWaalsContact C-N 3.31Å; C720-A722 PolarHBondContact O-N 2.93Å
721	D	62.7	Low	79	Confident	116 Å²	116	49.5 Å²	49.5	62%	0.62	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-8.7	177	-55.6	-35.7	0	0	0	114	P719 E723	P719-D721 PolarHBondContact O-N 3.02Å; P719-D721 VanDerWaalsContact O-N 3.09Å; D721-E723 PolarHBondContact O-N 3.11Å
722	A	70.6	Confident	79.5	Confident	28 Å²	28	49.7 Å²	49.7	23%	0.231	28%	0.281	C	S	.	.	S	Bend	trans	-67.9	128	-178.9	0	0	0	0	0	111.2	P719 C720 Q724	P719-A722 WeakPolarHBondContact O-CB 3.34Å; P719-A722 PolarHBondContact O-N 2.91Å; C720-A722 VanDerWaalsContact C-N 3.31Å; C720-A722 PolarHBondContact O-N 2.93Å; A722-Q724 PolarHBondContact O-N 3.19Å; A722-Q724 VanDerWaalsContact O-N 3.16Å
723	E	77.1	Confident	79.9	Confident	104 Å²	104	48.4 Å²	48.4	49%	0.486	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	111.6	-180	-70.5	-162.2	154.7	0	0	112.4	R650 R652 G653 D721	R650-E723 IonicContact NH2-OE1 2.75Å; R652-E723 HydrophobicContact CG-CB 4.47Å; R652-E723 IonicContact NE-OE2 2.73Å; G653-E723 WeakPolarHBondContact O-CA 3.39Å; D721-E723 PolarHBondContact O-N 3.11Å
724	Q	83.5	Confident	80.5	Confident	44 Å²	44	45.1 Å²	45.1	21%	0.206	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	154.3	-179.2	-66.7	-66.4	-22	0	0	111.3	R652 G653 L655 A722 Y726 W729	R652-Q724 VanDerWaalsContact CA-O 3.31Å; R652-Q724 WeakPolarHBondContact CA-O 3.39Å; R652-Q724 WeakPolarHBondContact CG-O 3.28Å; G653-Q724 PolarHBondContact N-O 2.84Å; G653-Q724 VanDerWaalsContact N-O 3.14Å; G653-Q724 PolarHBondContact O-N 3.46Å; L655-Q724 HydrophobicContact CD1-CB 4.33Å; L655-Q724 HydrophobicContact CD1-CG 4.07Å; L655-Q724 HydrophobicContact CD2-CB 4.01Å; L655-Q724 HydrophobicContact CG-CB 4.07Å; L655-Q724 HydrophobicContact CG-CG 4.24Å; A722-Q724 PolarHBondContact O-N 3.19Å; A722-Q724 VanDerWaalsContact O-N 3.16Å; Q724-Y726 PolarHBondContact O-N 3.45Å; Q724-W729 HydrophobicContact CG-CZ2 4.31Å
725	E	86.3	Confident	81	Confident	100 Å²	100	44.5 Å²	44.5	47%	0.467	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	114.1	171.8	-178.5	175.8	-155.2	0	0	109.3	A727 N728	E725-A727 HydrophobicContact CG-CB 4.36Å; E725-A727 PolarHBondContact O-N 3.17Å; E725-N728 PolarHBondContact O-N 2.82Å; E725-N728 VanDerWaalsContact O-N 3.13Å; E725-N728 PolarHBondContact OE2-ND2 2.59Å
726	Y	87.9	Confident	81.8	Confident	13 Å²	13	40.4 Å²	40.4	5%	0.051	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-58.9	-33.8	-172.4	-64.7	-21	0	0	0	112.7	R650 L651 G653 P654 L655 H658 Q724 N728 W729	R650-Y726 HydrophobicContact CG-CE2 4.34Å; R650-Y726 WeakPolarHBondContact O-CD2 3.21Å; R650-Y726 VanDerWaalsContact O-CE2 3.32Å; R650-Y726 WeakPolarHBondContact O-CE2 3.47Å; L651-Y726 PolarHBondContact O-N 3.46Å; G653-Y726 VanDerWaalsContact CA-OH 3.31Å; G653-Y726 WeakPolarHBondContact CA-OH 3.33Å; G653-Y726 WeakPolarHBondContact O-CE1 3.36Å; P654-Y726 WeakPolarHBondContact O-CE1 3.28Å; P654-Y726 PolarHBondContact O-OH 3.1Å; P654-Y726 VanDerWaalsContact O-OH 3.09Å; L655-Y726 HydrophobicContact CD2-CD1 4.22Å; H658-Y726 HydrophobicContact CB-CD1 4.2Å; H658-Y726 HydrophobicContact CB-CE1 4.22Å; H658-Y726 AromaticContact CD2-CD1 3.83Å; H658-Y726 AromaticContact CD2-CG 3.9Å; H658-Y726 PolarHBondContact NE2-O 3.26Å; Q724-Y726 PolarHBondContact O-N 3.45Å; Y726-N728 PolarHBondContact O-N 2.75Å; Y726-W729 PolarHBondContact O-N 2.88Å
727	A	86.5	Confident	82.7	Confident	63 Å²	63	38.3 Å²	38.3	52%	0.521	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-61.8	-16.7	-179.6	0	0	0	0	0	114.7	E725	E725-A727 HydrophobicContact CG-CB 4.36Å; E725-A727 PolarHBondContact O-N 3.17Å
728	N	88.2	Confident	84.1	Confident	34 Å²	34	36 Å²	36	18%	0.182	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-89.4	-12.9	178.1	-64.6	-40.3	0	0	0	113.2	L681 V682 G683 N684 E725 Y726	L681-N728 HydrophobicContact CD1-CB 3.7Å; V682-N728 PolarHBondContact N-O 3.01Å; G683-N728 PolarHBondContact N-O 3.22Å; N684-N728 WeakPolarHBondContact CB-OD1 3.29Å; N684-N728 PolarHBondContact N-OD1 3.39Å; E725-N728 PolarHBondContact O-N 2.82Å; E725-N728 VanDerWaalsContact O-N 3.13Å; E725-N728 PolarHBondContact OE2-ND2 2.59Å; Y726-N728 PolarHBondContact O-N 2.75Å
729	W	91.1	Very high	85.6	Confident	7 Å²	7	31.5 Å²	31.5	3%	0.027	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	145	-176.4	-67.3	82.5	0	0	0	110.3	Q632 V634 L655 L679 I680 L681 Q724 Y726	Q632-W729 HydrophobicContact CB-CH2 4.33Å; V634-W729 HydrophobicContact CB-CH2 4.42Å; V634-W729 HydrophobicContact CB-CZ3 4.1Å; V634-W729 HydrophobicContact CG2-CH2 3.64Å; V634-W729 HydrophobicContact CG2-CZ2 4.5Å; V634-W729 HydrophobicContact CG2-CZ3 3.82Å; L655-W729 HydrophobicContact CD1-CD2 3.79Å; L655-W729 HydrophobicContact CD1-CE3 4.02Å; L655-W729 HydrophobicContact CD1-CG 4.42Å; L655-W729 HydrophobicContact CD1-CH2 3.97Å; L655-W729 HydrophobicContact CD1-CZ2 3.73Å; L655-W729 HydrophobicContact CD1-CZ3 4.1Å; L655-W729 HydrophobicContact CD2-CB 4.2Å; L655-W729 HydrophobicContact CD2-CD2 3.95Å; L655-W729 HydrophobicContact CD2-CG 3.69Å; L679-W729 HydrophobicContact CB-CE3 3.88Å; L679-W729 HydrophobicContact CB-CZ3 4.46Å; I680-W729 WeakPolarHBondContact O-CA 3.38Å; L681-W729 HydrophobicContact CB-CD2 4.41Å; L681-W729 HydrophobicContact CB-CE3 4.34Å; L681-W729 HydrophobicContact CB-CH2 4.15Å; L681-W729 HydrophobicContact CB-CZ2 4.21Å; L681-W729 HydrophobicContact CB-CZ3 4.22Å; L681-W729 HydrophobicContact CD1-CD2 4.2Å; L681-W729 HydrophobicContact CD1-CG 4.4Å; L681-W729 HydrophobicContact CD1-CZ2 4.1Å; Q724-W729 HydrophobicContact CG-CZ2 4.31Å; Y726-W729 PolarHBondContact O-N 2.88Å
730	A	92.4	Very high	86.9	Confident	8 Å²	8	27.1 Å²	27.1	7%	0.066	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	150.8	175	0	0	0	0	0	110.4	L679 I680 V682 F732	L679-A730 WeakPolarHBondContact CA-O 3.48Å; I680-A730 PolarHBondContact N-O 2.91Å; I680-A730 PolarHBondContact O-N 3Å; V682-A730 HydrophobicContact CG2-CB 3.65Å; A730-F732 PolarHBondContact O-N 2.87Å
731	L	94.9	Very high	88.2	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	116	168.8	179.4	58.5	0	0	0	109.8	L556 Y557 V560 D562 G563 P564 V660 A664 I677 L679	L556-L731 HydrophobicContact CD1-CD2 3.98Å; L556-L731 HydrophobicContact CD2-CD1 4.15Å; L556-L731 HydrophobicContact CD2-CD2 3.84Å; L556-L731 HydrophobicContact CD2-CG 3.89Å; L556-L731 HydrophobicContact CG-CD2 3.66Å; L556-L731 HydrophobicContact CG-CG 4.24Å; Y557-L731 WeakPolarHBondContact CE1-O 3.48Å; V560-L731 HydrophobicContact CB-CD2 3.93Å; V560-L731 HydrophobicContact CG1-CD2 3.76Å; V560-L731 HydrophobicContact CG2-CD2 4.04Å; D562-L731 PolarHBondContact OD2-N 3.26Å; G563-L731 WeakPolarHBondContact CA-O 3.45Å; P564-L731 VanDerWaalsContact CD-O 3.25Å; P564-L731 WeakPolarHBondContact CD-O 3.36Å; V660-L731 HydrophobicContact CG1-CB 4.27Å; V660-L731 HydrophobicContact CG2-CB 4.11Å; V660-L731 HydrophobicContact CG2-CD2 4.38Å; A664-L731 HydrophobicContact CB-CD2 4.42Å; I677-L731 HydrophobicContact CG2-CD1 3.41Å; I677-L731 VanDerWaalsContact CG2-CD1 3.41Å; L679-L731 HydrophobicContact CD2-CB 4.44Å; L679-L731 HydrophobicContact CD2-CD1 4.22Å
732	F	94	Very high	89.4	Confident	4 Å²	4	23.7 Å²	23.7	2%	0.018	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-51.8	-179.9	-174.7	-101.5	0	0	0	112.1	Q553 Y557 P564 L589 T678 I680 P711 R712 A730	Q553-F732 PolarHBondContact NE2-O 3.28Å; Y557-F732 WeakPolarHBondContact CE1-O 3.43Å; Y557-F732 PolarHBondContact OH-O 2.94Å; P564-F732 HydrophobicContact CG-CD2 4.48Å; L589-F732 HydrophobicContact CD2-CE2 3.77Å; L589-F732 HydrophobicContact CD2-CZ 3.8Å; T678-F732 HydrophobicContact CG2-CB 4.13Å; T678-F732 HydrophobicContact CG2-CD1 4.11Å; T678-F732 HydrophobicContact CG2-CG 4.49Å; T678-F732 WeakPolarHBondContact O-CA 3.1Å; T678-F732 VanDerWaalsContact O-CB 3.32Å; T678-F732 WeakPolarHBondContact O-CB 3.24Å; T678-F732 PolarHBondContact O-N 3.48Å; I680-F732 HydrophobicContact CB-CB 3.95Å; I680-F732 HydrophobicContact CB-CD2 4.2Å; I680-F732 HydrophobicContact CB-CG 4.27Å; I680-F732 HydrophobicContact CD1-CD2 4.02Å; I680-F732 HydrophobicContact CD1-CE2 4.26Å; I680-F732 HydrophobicContact CG2-CB 3.79Å; I680-F732 HydrophobicContact CG2-CD2 3.82Å; I680-F732 HydrophobicContact CG2-CG 4.19Å; P711-F732 HydrophobicContact CB-CD1 4.01Å; P711-F732 HydrophobicContact CB-CE1 3.71Å; P711-F732 HydrophobicContact CB-CE2 4.44Å; P711-F732 HydrophobicContact CB-CZ 3.95Å; P711-F732 HydrophobicContact CG-CE1 3.82Å; P711-F732 HydrophobicContact CG-CE2 4.08Å; P711-F732 HydrophobicContact CG-CZ 3.56Å; R712-F732 HydrophobicContact CG-CD1 4.09Å; R712-F732 HydrophobicContact CG-CE1 3.85Å; A730-F732 PolarHBondContact O-N 2.87Å
733	D	94	Very high	90.3	Very high	9 Å²	9	25.7 Å²	25.7	5%	0.048	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	164.3	179.9	-154.9	-1.4	0	0	0	111.2	T678 R712 V735	T678-D733 PolarHBondContact N-O 2.88Å; T678-D733 PolarHBondContact O-N 2.93Å; R712-D733 WeakPolarHBondContact CD-OD2 3.42Å; R712-D733 HydrophobicContact CG-CB 4.2Å; R712-D733 IonicContact NH1-OD2 3.79Å; D733-V735 HydrophobicContact CB-CG2 4.42Å
734	C	94.2	Very high	91	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.014	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	103.5	171.3	-179.9	0	0	0	0	108.5	F552 L556 L668 F736	F552-C734 HydrophobicContact CE1-CB 4.27Å; F552-C734 WeakPolarHBondContact CE1-O 3.48Å; L556-C734 HydrophobicContact CD1-CB 4.38Å; L556-C734 HydrophobicContact CD2-CB 3.86Å; L668-C734 HydrophobicContact CD1-CB 4.16Å; C734-F736 WeakPolarHBondContact O-CE2 3.17Å
735	V	93.3	Very high	91.4	Very high	12 Å²	12	23.9 Å²	23.9	7%	0.073	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	126.8	-173.2	-167.3	0	0	0	0	109.6	A523 P524 G675 Y676 R712 D733	A523-V735 HydrophobicContact CB-CG1 3.8Å; P524-V735 HydrophobicContact CB-CG1 3.92Å; G675-V735 CarbonylContact C-O 3.52Å; G675-V735 VanDerWaalsContact CA-O 3.25Å; G675-V735 WeakPolarHBondContact CA-O 3.25Å; Y676-V735 HydrophobicContact CD1-CB 4.37Å; Y676-V735 HydrophobicContact CD2-CB 4.44Å; Y676-V735 HydrophobicContact CE1-CB 3.82Å; Y676-V735 HydrophobicContact CE1-CG1 4.05Å; Y676-V735 HydrophobicContact CE2-CB 3.91Å; Y676-V735 HydrophobicContact CE2-CG2 3.8Å; Y676-V735 PolarHBondContact N-O 3.27Å; Y676-V735 PolarHBondContact O-N 3.11Å; R712-V735 HydrophobicContact CB-CG2 4.4Å; R712-V735 HydrophobicContact CG-CG2 4.2Å; D733-V735 HydrophobicContact CB-CG2 4.42Å
736	F	92.9	Very high	91.8	Very high	6 Å²	6	19.1 Å²	19.1	3%	0.026	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	138.2	-178.1	-55.9	-85.8	0	0	0	111.5	G541 F552 F638 L668 L670 L673 C674 C734	G541-F736 VanDerWaalsContact O-CB 3.26Å; G541-F736 WeakPolarHBondContact O-CB 3.46Å; F552-F736 AromaticContact CE1-CE2 3.71Å; F552-F736 HydrophobicContact CE1-CE2 3.71Å; F552-F736 HydrophobicContact CE1-CZ 4.39Å; F552-F736 HydrophobicContact CE2-CE2 4.32Å; F552-F736 AromaticContact CZ-CE2 3.45Å; F552-F736 HydrophobicContact CZ-CE2 3.45Å; F552-F736 VanDerWaalsContact CZ-CE2 3.45Å; F552-F736 AromaticContact CZ-CZ 3.88Å; F552-F736 HydrophobicContact CZ-CZ 3.88Å; F638-F736 AromaticContact CE2-CD1 3.97Å; F638-F736 HydrophobicContact CE2-CD1 3.97Å; F638-F736 HydrophobicContact CE2-CE1 4.26Å; F638-F736 AromaticContact CZ-CD1 3.68Å; F638-F736 HydrophobicContact CZ-CD1 3.68Å; F638-F736 AromaticContact CZ-CE1 3.93Å; F638-F736 HydrophobicContact CZ-CE1 3.93Å; F638-F736 HydrophobicContact CZ-CG 4.46Å; L668-F736 HydrophobicContact CD1-CZ 4.32Å; L670-F736 HydrophobicContact CD2-CE1 3.74Å; L670-F736 HydrophobicContact CD2-CZ 4.39Å; L673-F736 HydrophobicContact CB-CD1 4.36Å; L673-F736 HydrophobicContact CD1-CD1 4.1Å; L673-F736 HydrophobicContact CD1-CE1 3.66Å; C674-F736 WeakPolarHBondContact O-CA 3.38Å; C734-F736 WeakPolarHBondContact O-CE2 3.17Å
737	G	93.5	Very high	92.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	114.5	-165	178.8	0	0	0	0	0	113.8	S521 C674 G675 P739	S521-G737 CarbonylContact O-C 3.58Å; S521-G737 WeakPolarHBondContact O-CA 3.46Å; C674-G737 PolarHBondContact O-N 3.4Å; G675-G737 WeakPolarHBondContact CA-O 3.48Å; G737-P739 WeakPolarHBondContact O-CD 3.33Å
738	L	95.7	Very high	92.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	113.5	-173	-60.4	179.3	0	0	0	111.4	L414 T482 L486 L520 S521 I522 A523 L740 V749	L414-L738 HydrophobicContact CD1-CD1 3.99Å; T482-L738 HydrophobicContact CG2-CD1 3.64Å; L486-L738 HydrophobicContact CD1-CD1 4.04Å; L520-L738 HydrophobicContact CB-CD1 4.41Å; L520-L738 HydrophobicContact CD2-CD1 4.06Å; L520-L738 HydrophobicContact CD2-CD2 4.45Å; L520-L738 HydrophobicContact CD2-CG 4.3Å; S521-L738 PolarHBondContact O-N 2.86Å; I522-L738 WeakPolarHBondContact CA-O 3.49Å; A523-L738 PolarHBondContact N-O 2.96Å; L738-L740 PolarHBondContact O-N 2.98Å; L738-V749 HydrophobicContact CD2-CG1 3.83Å
739	P	94.5	Very high	92.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	125.1	178.7	24.2	-26.9	0	0	0	110.4	A523 Y676 G737 F741 L745 N746 V749	A523-P739 WeakPolarHBondContact O-CA 3.28Å; Y676-P739 HydrophobicContact CD1-CB 4.02Å; Y676-P739 HydrophobicContact CD1-CG 3.97Å; Y676-P739 HydrophobicContact CE1-CB 3.73Å; Y676-P739 HydrophobicContact CE1-CG 4.19Å; G737-P739 WeakPolarHBondContact O-CD 3.33Å; P739-F741 HydrophobicContact CB-CD1 4.08Å; P739-F741 HydrophobicContact CB-CE1 3.58Å; P739-F741 HydrophobicContact CB-CZ 4.22Å; P739-L745 HydrophobicContact CB-CD2 3.9Å; P739-L745 HydrophobicContact CB-CG 4.32Å; P739-L745 HydrophobicContact CG-CB 4.36Å; P739-L745 HydrophobicContact CG-CD2 3.83Å; P739-L745 HydrophobicContact CG-CG 3.72Å; P739-N746 VanDerWaalsContact O-CB 3.23Å; P739-N746 WeakPolarHBondContact O-CB 3.32Å; P739-N746 PolarHBondContact O-ND2 3.36Å; P739-V749 HydrophobicContact CG-CG2 4.11Å
740	L	91.4	Very high	93	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	11%	0.109	C	C	.	.			trans	-102.1	-11.7	176.9	-65.2	-169.8	0	0	0	114.1	Y475 V478 L479 T482 I522 L738	Y475-L740 HydrophobicContact CD2-CB 4.07Å; Y475-L740 WeakPolarHBondContact CD2-O 3.34Å; Y475-L740 HydrophobicContact CE2-CB 3.51Å; Y475-L740 HydrophobicContact CE2-CD1 4.45Å; V478-L740 WeakPolarHBondContact CB-O 3.35Å; V478-L740 HydrophobicContact CG1-CB 4.5Å; V478-L740 HydrophobicContact CG1-CD2 3.92Å; L479-L740 HydrophobicContact CB-CD1 4.45Å; L479-L740 HydrophobicContact CD1-CD1 3.74Å; T482-L740 HydrophobicContact CG2-CD2 4.25Å; T482-L740 WeakPolarHBondContact OG1-CD2 3.41Å; I522-L740 HydrophobicContact CB-CD1 4.4Å; I522-L740 HydrophobicContact CD1-CD1 3.49Å; I522-L740 VanDerWaalsContact CD1-CD1 3.49Å; I522-L740 HydrophobicContact CD1-CG 4.39Å; I522-L740 HydrophobicContact CG1-CD1 3.62Å; I522-L740 HydrophobicContact CG1-CG 3.97Å; I522-L740 HydrophobicContact CG2-CB 4.45Å; I522-L740 HydrophobicContact CG2-CD1 3.85Å; I522-L740 HydrophobicContact CG2-CG 3.87Å; L738-L740 PolarHBondContact O-N 2.98Å
741	F	88.1	Confident	93	Very high	43 Å²	43	23 Å²	23	19%	0.189	13%	0.125	C	C	.	.	S	Bend	trans	-81.4	-17.2	-176.5	64.7	-87.4	0	0	0	113.6	H635 Y676 R712 K713 P739 L745	H635-F741 AromaticContact NE2-CE2 3.91Å; Y676-F741 HydrophobicContact CE1-CE1 4.08Å; Y676-F741 HydrophobicContact CE1-CZ 4.4Å; Y676-F741 HydrophobicContact CE2-CE1 4.44Å; Y676-F741 HydrophobicContact CE2-CZ 4.1Å; Y676-F741 AromaticContact CZ-CE1 3.71Å; Y676-F741 AromaticContact CZ-CZ 3.84Å; Y676-F741 WeakPolarHBondContact OH-CE1 3.25Å; R712-F741 WeakPolarHBondContact O-CZ 3.22Å; K713-F741 VanDerWaalsContact O-CD2 3.25Å; K713-F741 WeakPolarHBondContact O-CD2 3.47Å; P739-F741 HydrophobicContact CB-CD1 4.08Å; P739-F741 HydrophobicContact CB-CE1 3.58Å; P739-F741 HydrophobicContact CB-CZ 4.22Å; F741-L745 HydrophobicContact CE2-CD2 4.49Å; F741-L745 HydrophobicContact CZ-CD2 3.92Å
742	N	87.8	Confident	93	Very high	20 Å²	20	24.6 Å²	24.6	11%	0.107	13%	0.131	C	C	.	.			trans	-135.8	124.5	-177.2	-174.9	-50.6	0	0	0	110.4	D744 L745 N746	N742-D744 PolarHBondContact OD1-N 2.83Å; N742-L745 HydrophobicContact CB-CB 3.98Å; N742-L745 PolarHBondContact OD1-N 3.43Å; N742-N746 VanDerWaalsContact O-CB 3.25Å; N742-N746 WeakPolarHBondContact O-CB 3.27Å; N742-N746 PolarHBondContact O-N 2.85Å
743	F	89.4	Confident	92.9	Very high	69 Å²	69	24.4 Å²	24.4	30%	0.303	13%	0.13	S	C	.	.	H	α-helix	trans	-69.9	-46.1	-174.6	-178.7	-86.6	0	0	0	113.1	V478 K481 N746 D747	V478-F743 HydrophobicContact CG2-CB 3.75Å; V478-F743 HydrophobicContact CG2-CD2 3.96Å; V478-F743 HydrophobicContact CG2-CG 4.34Å; K481-F743 HydrophobicContact CD-CD2 4.46Å; K481-F743 HydrophobicContact CD-CE2 3.57Å; K481-F743 HydrophobicContact CD-CZ 3.77Å; K481-F743 VanDerWaalsContact NZ-CZ 3.29Å; F743-N746 PolarHBondContact O-N 3.43Å; F743-D747 WeakPolarHBondContact O-CB 3.2Å; F743-D747 PolarHBondContact O-N 3.41Å
744	D	91.1	Very high	92.7	Very high	104 Å²	104	26.3 Å²	26.3	56%	0.556	15%	0.148	S	C	*	.	H	α-helix	trans	-68.1	-41.7	-176.6	-57.2	-46	0	0	0	110.2	N742 D747 Q748	N742-D744 PolarHBondContact OD1-N 2.83Å; D744-D747 PolarHBondContact O-N 3.22Å; D744-Q748 VanDerWaalsContact O-CG 3.27Å; D744-Q748 WeakPolarHBondContact O-CG 3.29Å; D744-Q748 PolarHBondContact O-N 2.95Å
745	L	92.2	Very high	92.5	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.031	17%	0.171	C	C	.	.	H	α-helix	trans	-63.6	-43.6	175.5	-173.8	65.1	0	0	0	111.6	H635 P637 Y676 P739 F741 N742 D747 Q748 V749	H635-L745 HydrophobicContact CB-CD1 3.8Å; H635-L745 HydrophobicContact CB-CD2 3.66Å; H635-L745 HydrophobicContact CB-CG 4.35Å; P637-L745 HydrophobicContact CB-CD1 4.1Å; P637-L745 HydrophobicContact CG-CD1 4.34Å; Y676-L745 HydrophobicContact CD1-CD2 3.98Å; Y676-L745 HydrophobicContact CD2-CD2 4.11Å; Y676-L745 HydrophobicContact CE1-CD2 4.45Å; Y676-L745 HydrophobicContact CG-CD2 3.81Å; P739-L745 HydrophobicContact CB-CD2 3.9Å; P739-L745 HydrophobicContact CB-CG 4.32Å; P739-L745 HydrophobicContact CG-CB 4.36Å; P739-L745 HydrophobicContact CG-CD2 3.83Å; P739-L745 HydrophobicContact CG-CG 3.72Å; F741-L745 HydrophobicContact CE2-CD2 4.49Å; F741-L745 HydrophobicContact CZ-CD2 3.92Å; N742-L745 HydrophobicContact CB-CB 3.98Å; N742-L745 PolarHBondContact OD1-N 3.43Å; L745-D747 PolarHBondContact O-N 3.11Å; L745-Q748 PolarHBondContact O-N 3.28Å; L745-V749 VanDerWaalsContact O-CG2 3.31Å; L745-V749 WeakPolarHBondContact O-CG2 3.24Å; L745-V749 PolarHBondContact O-N 3.27Å
746	N	95.1	Very high	92.4	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-59.2	-46.5	175.2	-178.1	-97.2	0	0	0	111.8	V478 T482 P739 N742 F743 Q748 V749 C750	V478-N746 HydrophobicContact CG1-CB 3.45Å; V478-N746 VanDerWaalsContact CG1-CB 3.45Å; T482-N746 PolarHBondContact OG1-ND2 3.05Å; T482-N746 PolarHBondContact OG1-OD1 2.51Å; P739-N746 VanDerWaalsContact O-CB 3.23Å; P739-N746 WeakPolarHBondContact O-CB 3.32Å; P739-N746 PolarHBondContact O-ND2 3.36Å; N742-N746 VanDerWaalsContact O-CB 3.25Å; N742-N746 WeakPolarHBondContact O-CB 3.27Å; N742-N746 PolarHBondContact O-N 2.85Å; F743-N746 PolarHBondContact O-N 3.43Å; N746-Q748 VanDerWaalsContact C-N 3.34Å; N746-Q748 PolarHBondContact O-N 3.26Å; N746-V749 PolarHBondContact O-N 3.29Å; N746-C750 WeakPolarHBondContact O-CB 3.46Å; N746-C750 PolarHBondContact O-N 3.48Å; N746-C750 PolarHBondContact O-SG 2.8Å
747	D	94.6	Very high	92.1	Very high	77 Å²	77	36.3 Å²	36.3	41%	0.412	20%	0.201	S	C	.	.	H	α-helix	trans	-60.5	-44.5	179.7	-170.7	53.9	0	0	0	111.8	K481 F743 D744 L745 C750 G751	K481-D747 VanDerWaalsContact CE-OD1 3.25Å; K481-D747 WeakPolarHBondContact CE-OD1 3.41Å; K481-D747 IonicContact NZ-OD1 2.76Å; K481-D747 PolarHBondContact NZ-OD1 2.99Å; K481-D747 IonicContact NZ-OD2 3.07Å; F743-D747 WeakPolarHBondContact O-CB 3.2Å; F743-D747 PolarHBondContact O-N 3.41Å; D744-D747 PolarHBondContact O-N 3.22Å; L745-D747 PolarHBondContact O-N 3.11Å; D747-C750 PolarHBondContact O-N 3.21Å; D747-G751 PolarHBondContact O-N 2.87Å
748	Q	93.8	Very high	91.9	Very high	85 Å²	85	36.6 Å²	36.6	40%	0.397	20%	0.202	S	C	.	.	H	α-helix	trans	-62.3	-47	175.8	-69.2	172	4.2	0	0	111.2	P637 D744 L745 N746 G751 R752	P637-Q748 HydrophobicContact CB-CB 4.26Å; P637-Q748 HydrophobicContact CG-CB 3.91Å; P637-Q748 VanDerWaalsContact CG-OE1 3.31Å; D744-Q748 VanDerWaalsContact O-CG 3.27Å; D744-Q748 WeakPolarHBondContact O-CG 3.29Å; D744-Q748 PolarHBondContact O-N 2.95Å; L745-Q748 PolarHBondContact O-N 3.28Å; N746-Q748 VanDerWaalsContact C-N 3.34Å; N746-Q748 PolarHBondContact O-N 3.26Å; Q748-G751 PolarHBondContact O-N 3.3Å; Q748-R752 WeakPolarHBondContact O-CB 3.42Å; Q748-R752 VanDerWaalsContact O-CG 3.24Å; Q748-R752 WeakPolarHBondContact O-CG 3.43Å; Q748-R752 PolarHBondContact O-N 3.12Å
749	V	95.2	Very high	91.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.6	-45.1	178.4	174.6	0	0	0	0	111.4	P637 C674 G675 L738 P739 L745 N746 R752 L753	P637-V749 HydrophobicContact CB-CG2 3.71Å; C674-V749 HydrophobicContact CB-CG1 4.22Å; G675-V749 WeakPolarHBondContact O-CG2 3.33Å; L738-V749 HydrophobicContact CD2-CG1 3.83Å; P739-V749 HydrophobicContact CG-CG2 4.11Å; L745-V749 VanDerWaalsContact O-CG2 3.31Å; L745-V749 WeakPolarHBondContact O-CG2 3.24Å; L745-V749 PolarHBondContact O-N 3.27Å; N746-V749 PolarHBondContact O-N 3.29Å; V749-R752 PolarHBondContact O-N 2.98Å; V749-L753 WeakPolarHBondContact O-CB 3.48Å; V749-L753 PolarHBondContact O-N 3.29Å
750	C	94.9	Very high	90.9	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.034	22%	0.218	C	C	.	.	H	α-helix	trans	-64.3	-43.3	177.1	-75.2	0	0	0	0	112.3	F485 N746 D747 R752 L753 A754	F485-C750 HydrophobicContact CD1-CB 3.86Å; F485-C750 HydrophobicContact CD2-CB 4.49Å; F485-C750 HydrophobicContact CE1-CB 3.74Å; F485-C750 HydrophobicContact CE2-CB 4.4Å; F485-C750 HydrophobicContact CG-CB 4.23Å; F485-C750 HydrophobicContact CZ-CB 4.03Å; F485-C750 WeakPolarHBondContact CZ-O 3.25Å; N746-C750 WeakPolarHBondContact O-CB 3.46Å; N746-C750 PolarHBondContact O-N 3.48Å; N746-C750 PolarHBondContact O-SG 2.8Å; D747-C750 PolarHBondContact O-N 3.21Å; C750-R752 VanDerWaalsContact C-N 3.29Å; C750-R752 PolarHBondContact O-N 3.2Å; C750-L753 WeakPolarHBondContact O-CB 3.35Å; C750-L753 PolarHBondContact O-N 3.19Å; C750-A754 PolarHBondContact O-N 3.32Å; C750-A754 VanDerWaalsContact O-N 3.11Å
751	G	93.5	Very high	90	Very high	40 Å²	40	40.9 Å²	40.9	41%	0.412	23%	0.227	S	C	.	.	H	α-helix	trans	-59	-42.3	175.7	0	0	0	0	0	111.8	D747 Q748 A754 S755	D747-G751 PolarHBondContact O-N 2.87Å; Q748-G751 PolarHBondContact O-N 3.3Å; G751-A754 PolarHBondContact O-N 3.4Å; G751-S755 PolarHBondContact O-N 2.98Å; G751-S755 PolarHBondContact O-OG 3.18Å
752	R	93.5	Very high	89.6	Confident	32 Å²	32	45.6 Å²	45.6	12%	0.121	26%	0.255	C	S	.	.	H	α-helix	trans	-73.6	-33.3	177.6	-64.3	-168.7	-166	175.9	-1	113.3	P637 P639 Q748 V749 C750 A754 S755 F756	P637-R752 VanDerWaalsContact C-NH1 3.35Å; P637-R752 PolarHBondContact O-NH1 2.97Å; P639-R752 WeakPolarHBondContact O-CD 3.47Å; P639-R752 PolarHBondContact O-NH1 3.4Å; Q748-R752 WeakPolarHBondContact O-CB 3.42Å; Q748-R752 VanDerWaalsContact O-CG 3.24Å; Q748-R752 WeakPolarHBondContact O-CG 3.43Å; Q748-R752 PolarHBondContact O-N 3.12Å; V749-R752 PolarHBondContact O-N 2.98Å; C750-R752 VanDerWaalsContact C-N 3.29Å; C750-R752 PolarHBondContact O-N 3.2Å; R752-A754 PolarHBondContact O-N 3.49Å; R752-S755 WeakPolarHBondContact CA-OG 3.4Å; R752-S755 PolarHBondContact O-N 3.44Å; R752-S755 PolarHBondContact O-OG 3.37Å; R752-F756 HydrophobicContact CB-CD2 4.37Å; R752-F756 WeakPolarHBondContact O-CB 3.5Å; R752-F756 WeakPolarHBondContact O-CD2 2.81Å; R752-F756 PolarHBondContact O-N 3.4Å
753	L	92	Very high	89.3	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-57.2	-40.7	171.2	-169.4	78	0	0	0	111.3	F485 L486 L520 L540 C674 V749 C750 Q757 L758 L759	F485-L753 HydrophobicContact CE1-CD2 3.76Å; F485-L753 HydrophobicContact CZ-CB 4.47Å; F485-L753 HydrophobicContact CZ-CD2 4.2Å; L486-L753 HydrophobicContact CD2-CD2 4.41Å; L520-L753 HydrophobicContact CD2-CD1 4.38Å; L520-L753 HydrophobicContact CD2-CD2 3.86Å; L540-L753 HydrophobicContact CD1-CD1 3.69Å; C674-L753 HydrophobicContact CB-CD1 3.86Å; V749-L753 WeakPolarHBondContact O-CB 3.48Å; V749-L753 PolarHBondContact O-N 3.29Å; C750-L753 WeakPolarHBondContact O-CB 3.35Å; C750-L753 PolarHBondContact O-N 3.19Å; L753-Q757 PolarHBondContact O-N 3.02Å; L753-L758 HydrophobicContact CD1-CB 3.7Å; L753-L758 HydrophobicContact CD1-CD1 4.01Å; L753-L758 HydrophobicContact CD1-CG 4.4Å; L753-L758 HydrophobicContact CG-CB 4.45Å; L753-L758 PolarHBondContact O-N 3.02Å; L753-L758 VanDerWaalsContact O-N 3.11Å; L753-L759 HydrophobicContact CD1-CD2 4.39Å; L753-L759 HydrophobicContact CD1-CG 4.3Å; L753-L759 HydrophobicContact CD2-CD1 3.5Å; L753-L759 HydrophobicContact CD2-CD2 3.99Å; L753-L759 HydrophobicContact CD2-CG 3.69Å; L753-L759 HydrophobicContact CG-CD1 4.13Å; L753-L759 HydrophobicContact CG-CD2 4.41Å; L753-L759 HydrophobicContact CG-CG 3.89Å
754	A	90.3	Very high	89.1	Confident	50 Å²	50	45.5 Å²	45.5	41%	0.413	26%	0.256	S	S	.	.	H	α-helix	trans	-73.2	-48.4	176.4	0	0	0	0	0	112.6	F485 C750 G751 R752 F756 Q757	F485-A754 HydrophobicContact CE2-CB 4.15Å; F485-A754 HydrophobicContact CZ-CB 4.21Å; C750-A754 PolarHBondContact O-N 3.32Å; C750-A754 VanDerWaalsContact O-N 3.11Å; G751-A754 PolarHBondContact O-N 3.4Å; R752-A754 PolarHBondContact O-N 3.49Å; A754-F756 VanDerWaalsContact C-N 3.35Å; A754-F756 PolarHBondContact O-N 3.32Å; A754-Q757 PolarHBondContact O-N 3.02Å
755	S	90.3	Very high	88.9	Confident	73 Å²	73	45 Å²	45	51%	0.51	25%	0.253	S	S	.	.	H	α-helix	trans	-65.2	-37.4	-177.4	68	0	0	0	0	112.7	G751 R752 Q757	G751-S755 PolarHBondContact O-N 2.98Å; G751-S755 PolarHBondContact O-OG 3.18Å; R752-S755 WeakPolarHBondContact CA-OG 3.4Å; R752-S755 PolarHBondContact O-N 3.44Å; R752-S755 PolarHBondContact O-OG 3.37Å; S755-Q757 VanDerWaalsContact C-N 3.26Å; S755-Q757 PolarHBondContact O-N 3.43Å
756	F	89.9	Confident	88.6	Confident	42 Å²	42	47.9 Å²	47.9	18%	0.184	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-0	174.6	-74.8	-103.7	0	0	0	112.9	P639 R640 D641 R752 A754 L758 K763	P639-F756 HydrophobicContact CB-CB 4.38Å; P639-F756 HydrophobicContact CB-CD1 3.58Å; P639-F756 HydrophobicContact CB-CD2 3.65Å; P639-F756 HydrophobicContact CB-CE1 3.67Å; P639-F756 HydrophobicContact CB-CE2 3.76Å; P639-F756 HydrophobicContact CB-CG 3.58Å; P639-F756 HydrophobicContact CB-CZ 3.78Å; P639-F756 HydrophobicContact CG-CB 4.03Å; P639-F756 HydrophobicContact CG-CD1 4.06Å; P639-F756 HydrophobicContact CG-CD2 4.09Å; P639-F756 HydrophobicContact CG-CG 3.79Å; R640-F756 VanDerWaalsContact O-CZ 3.3Å; R640-F756 WeakPolarHBondContact O-CZ 3.42Å; D641-F756 WeakPolarHBondContact OD1-CE2 3.33Å; R752-F756 HydrophobicContact CB-CD2 4.37Å; R752-F756 WeakPolarHBondContact O-CB 3.5Å; R752-F756 WeakPolarHBondContact O-CD2 2.81Å; R752-F756 PolarHBondContact O-N 3.4Å; A754-F756 VanDerWaalsContact C-N 3.35Å; A754-F756 PolarHBondContact O-N 3.32Å; F756-L758 HydrophobicContact CB-CD2 4.16Å; F756-L758 HydrophobicContact CB-CG 3.92Å; F756-L758 PolarHBondContact O-N 2.98Å; F756-L758 VanDerWaalsContact O-N 3.12Å; F756-K763 PolarHBondContact O-NZ 2.86Å
757	Q	88.4	Confident	88.4	Confident	115 Å²	115	48.1 Å²	48.1	54%	0.537	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	37.2	177.7	-61.4	-179.2	-9.2	0	0	113.1	L753 A754 S755 L759 N760	L753-Q757 PolarHBondContact O-N 3.02Å; A754-Q757 PolarHBondContact O-N 3.02Å; S755-Q757 VanDerWaalsContact C-N 3.26Å; S755-Q757 PolarHBondContact O-N 3.43Å; Q757-L759 PolarHBondContact O-N 3.07Å; Q757-N760 WeakPolarHBondContact O-CB 3.24Å; Q757-N760 PolarHBondContact O-N 3.06Å; Q757-N760 PolarHBondContact OE1-ND2 2.98Å
758	L	87.6	Confident	88.1	Confident	5 Å²	5	47.5 Å²	47.5	3%	0.026	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-19	-174.1	-68.9	-173.4	0	0	0	113.3	L540 P639 L673 C674 L753 F756 N760 K763	L540-L758 HydrophobicContact CD1-CB 4.33Å; P639-L758 HydrophobicContact CG-CD1 3.5Å; P639-L758 VanDerWaalsContact CG-CD1 3.5Å; P639-L758 HydrophobicContact CG-CG 4.27Å; L673-L758 WeakPolarHBondContact O-CD1 3.34Å; C674-L758 HydrophobicContact CB-CD1 4.28Å; L753-L758 HydrophobicContact CD1-CB 3.7Å; L753-L758 HydrophobicContact CD1-CD1 4.01Å; L753-L758 HydrophobicContact CD1-CG 4.4Å; L753-L758 HydrophobicContact CG-CB 4.45Å; L753-L758 PolarHBondContact O-N 3.02Å; L753-L758 VanDerWaalsContact O-N 3.11Å; F756-L758 HydrophobicContact CB-CD2 4.16Å; F756-L758 HydrophobicContact CB-CG 3.92Å; F756-L758 PolarHBondContact O-N 2.98Å; F756-L758 VanDerWaalsContact O-N 3.12Å; L758-N760 VanDerWaalsContact C-N 3.34Å; L758-K763 HydrophobicContact CD2-CD 4.14Å
759	L	86	Confident	88	Confident	5 Å²	5	48.6 Å²	48.6	3%	0.026	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-12.7	177.8	-67.1	178.5	0	0	0	113.4	I412 L486 I489 R517 I518 L520 L540 L753 Q757	I412-L759 HydrophobicContact CD1-CD1 4.34Å; L486-L759 HydrophobicContact CD2-CD1 4.13Å; I489-L759 HydrophobicContact CD1-CD1 3.4Å; I489-L759 HydrophobicContact CG2-CD1 4.25Å; R517-L759 PolarHBondContact NE-O 2.99Å; R517-L759 VanDerWaalsContact NE-O 3.12Å; R517-L759 PolarHBondContact NH2-O 3.45Å; I518-L759 HydrophobicContact CD1-CD2 3.98Å; I518-L759 HydrophobicContact CG2-CD2 4Å; L520-L759 HydrophobicContact CD1-CD2 3.78Å; L520-L759 HydrophobicContact CD2-CD2 3.96Å; L520-L759 HydrophobicContact CG-CD2 4.22Å; L540-L759 HydrophobicContact CD1-CD2 3.95Å; L753-L759 HydrophobicContact CD1-CD2 4.39Å; L753-L759 HydrophobicContact CD1-CG 4.3Å; L753-L759 HydrophobicContact CD2-CD1 3.5Å; L753-L759 HydrophobicContact CD2-CD2 3.99Å; L753-L759 HydrophobicContact CD2-CG 3.69Å; L753-L759 HydrophobicContact CG-CD1 4.13Å; L753-L759 HydrophobicContact CG-CD2 4.41Å; L753-L759 HydrophobicContact CG-CG 3.89Å; Q757-L759 PolarHBondContact O-N 3.07Å
760	N	83	Confident	87.8	Confident	59 Å²	59	49.1 Å²	49.1	32%	0.316	28%	0.279	S	S	.	.	S	Bend	trans	-66.4	144	-177	-71.3	4	0	0	0	112	Q757 L758 D762 K763	Q757-N760 WeakPolarHBondContact O-CB 3.24Å; Q757-N760 PolarHBondContact O-N 3.06Å; Q757-N760 PolarHBondContact OE1-ND2 2.98Å; L758-N760 VanDerWaalsContact C-N 3.34Å; N760-D762 PolarHBondContact O-N 3.21Å; N760-K763 PolarHBondContact O-N 2.98Å
761	S	72.8	Confident	87.5	Confident	27 Å²	27	49 Å²	49	19%	0.189	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-57.7	-32.8	-179.5	37.5	0	0	0	0	113	K763 A764	S761-K763 PolarHBondContact O-N 2.89Å; S761-K763 VanDerWaalsContact O-N 3.15Å; S761-A764 WeakPolarHBondContact O-CB 3.41Å; S761-A764 PolarHBondContact O-N 3.29Å
762	D	80.9	Confident	87.3	Confident	143 Å²	143	49.3 Å²	49.3	77%	0.765	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-63.7	-23.1	-177	-53.1	-24.5	0	0	0	113.2	N760	N760-D762 PolarHBondContact O-N 3.21Å
763	K	81.7	Confident	87.3	Confident	70 Å²	70	50.9 Å²	50.9	30%	0.304	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-91.5	-8.8	178.5	-67.7	-167.8	174.9	-170.5	0	113.5	F756 L758 N760 S761 D765 S766 L767	F756-K763 PolarHBondContact O-NZ 2.86Å; L758-K763 HydrophobicContact CD2-CD 4.14Å; N760-K763 PolarHBondContact O-N 2.98Å; S761-K763 PolarHBondContact O-N 2.89Å; S761-K763 VanDerWaalsContact O-N 3.15Å; K763-D765 PolarHBondContact O-N 2.83Å; K763-S766 PolarHBondContact O-N 3.4Å; K763-L767 VanDerWaalsContact O-CB 3.3Å; K763-L767 WeakPolarHBondContact O-CB 3.4Å; K763-L767 PolarHBondContact O-N 2.82Å
764	A	84.8	Confident	87.2	Confident	17 Å²	17	51 Å²	51	14%	0.14	29%	0.288	C	S	.	.	H	α-helix	trans	-58.9	-46.4	-173.6	0	0	0	0	0	112.4	A538 S761 L767 R768	A538-A764 HydrophobicContact CB-CB 3.82Å; S761-A764 WeakPolarHBondContact O-CB 3.41Å; S761-A764 PolarHBondContact O-N 3.29Å; A764-L767 PolarHBondContact O-N 2.82Å; A764-R768 WeakPolarHBondContact O-CG 3.43Å; A764-R768 PolarHBondContact O-N 2.97Å
765	D	85.6	Confident	87.1	Confident	92 Å²	92	48.9 Å²	48.9	49%	0.492	27%	0.27	S	S	.	.	H	α-helix	trans	-67.2	-42.1	-179.7	-67.8	-18.5	0	0	0	112.3	K763 L767 R768 N769	K763-D765 PolarHBondContact O-N 2.83Å; D765-L767 VanDerWaalsContact C-N 3.32Å; D765-L767 PolarHBondContact O-N 2.95Å; D765-R768 PolarHBondContact O-N 2.88Å; D765-R768 IonicContact OD1-CZ 2.76Å; D765-R768 IonicContact OD1-NE 2.64Å; D765-R768 IonicContact OD1-NH2 3.6Å; D765-R768 PolarHBondContact OD1-NH2 2.8Å; D765-N769 WeakPolarHBondContact O-CB 3.34Å; D765-N769 VanDerWaalsContact O-CG 3.27Å; D765-N769 PolarHBondContact O-N 2.69Å; D765-N769 PolarHBondContact O-ND2 3.4Å
766	S	87.7	Confident	87.1	Confident	67 Å²	67	50.3 Å²	50.3	47%	0.469	27%	0.269	S	S	.	.	H	α-helix	trans	-61.8	-42.5	175.6	-176.3	0	0	0	0	111.2	K763 N769 L770	K763-S766 PolarHBondContact O-N 3.4Å; S766-N769 PolarHBondContact O-N 2.76Å; S766-L770 VanDerWaalsContact O-CB 3.32Å; S766-L770 WeakPolarHBondContact O-CB 3.35Å; S766-L770 PolarHBondContact O-N 3.35Å
767	L	89.7	Confident	87.2	Confident	7 Å²	7	51.5 Å²	51.5	4%	0.037	27%	0.274	C	S	.	.	H	α-helix	trans	-64.5	-43.1	177.3	176.6	59.5	0	0	0	112.1	I518 A538 L540 L673 K763 A764 D765 L770 S771	I518-L767 HydrophobicContact CD1-CD2 4.28Å; A538-L767 HydrophobicContact CB-CD2 4.17Å; L540-L767 HydrophobicContact CD2-CD1 4.03Å; L540-L767 HydrophobicContact CD2-CD2 3.62Å; L540-L767 HydrophobicContact CG-CD2 3.83Å; L673-L767 HydrophobicContact CD2-CD1 3.4Å; K763-L767 VanDerWaalsContact O-CB 3.3Å; K763-L767 WeakPolarHBondContact O-CB 3.4Å; K763-L767 PolarHBondContact O-N 2.82Å; A764-L767 PolarHBondContact O-N 2.82Å; D765-L767 VanDerWaalsContact C-N 3.32Å; D765-L767 PolarHBondContact O-N 2.95Å; L767-L770 PolarHBondContact O-N 3.34Å; L767-S771 VanDerWaalsContact O-CB 3.3Å; L767-S771 WeakPolarHBondContact O-CB 3.2Å; L767-S771 PolarHBondContact O-N 3.4Å; L767-S771 PolarHBondContact O-OG 2.93Å
768	R	89.2	Confident	87.3	Confident	63 Å²	63	46 Å²	46	24%	0.238	25%	0.249	C	C	.	.	H	α-helix	trans	-61	-47.4	175.7	-74.3	-169.2	-68.5	178.7	2.5	111.7	M536 A538 A764 D765 L770 S771 S772	M536-R768 WeakPolarHBondContact O-CD 3.39Å; M536-R768 PolarHBondContact O-NH1 3.1Å; A538-R768 HydrophobicContact CB-CG 4.38Å; A764-R768 WeakPolarHBondContact O-CG 3.43Å; A764-R768 PolarHBondContact O-N 2.97Å; D765-R768 PolarHBondContact O-N 2.88Å; D765-R768 IonicContact OD1-CZ 2.76Å; D765-R768 IonicContact OD1-NE 2.64Å; D765-R768 IonicContact OD1-NH2 3.6Å; D765-R768 PolarHBondContact OD1-NH2 2.8Å; R768-L770 PolarHBondContact O-N 2.94Å; R768-S771 PolarHBondContact O-N 3.48Å; R768-S772 VanDerWaalsContact O-CB 3.28Å; R768-S772 WeakPolarHBondContact O-CB 3.35Å; R768-S772 PolarHBondContact O-N 3.03Å
769	N	90.5	Very high	87.3	Confident	109 Å²	109	47.9 Å²	47.9	58%	0.583	26%	0.256	S	S	*	.	H	α-helix	trans	-63.4	-42.3	179.1	-71	-26.1	0	0	0	112.1	D765 S766 T773	D765-N769 WeakPolarHBondContact O-CB 3.34Å; D765-N769 VanDerWaalsContact O-CG 3.27Å; D765-N769 PolarHBondContact O-N 2.69Å; D765-N769 PolarHBondContact O-ND2 3.4Å; S766-N769 PolarHBondContact O-N 2.76Å; N769-T773 WeakPolarHBondContact O-CB 3.32Å; N769-T773 PolarHBondContact O-N 3.24Å; N769-T773 PolarHBondContact O-OG1 3.35Å
770	L	91.1	Very high	87.4	Confident	11 Å²	11	52.7 Å²	52.7	6%	0.058	28%	0.276	C	S	.	.	H	α-helix	trans	-61	-51.2	174.9	174	60.2	0	0	0	111.2	Q669 N672 L673 S766 L767 R768 S772 T773 L774	Q669-L770 HydrophobicContact CB-CD1 3.96Å; Q669-L770 HydrophobicContact CB-CD2 4.21Å; Q669-L770 HydrophobicContact CG-CD1 4.23Å; N672-L770 HydrophobicContact CB-CD2 3.65Å; L673-L770 HydrophobicContact CD1-CD2 4.36Å; L673-L770 HydrophobicContact CD2-CD2 4.49Å; L673-L770 HydrophobicContact CG-CD2 4.17Å; S766-L770 VanDerWaalsContact O-CB 3.32Å; S766-L770 WeakPolarHBondContact O-CB 3.35Å; S766-L770 PolarHBondContact O-N 3.35Å; L767-L770 PolarHBondContact O-N 3.34Å; R768-L770 PolarHBondContact O-N 2.94Å; L770-S772 VanDerWaalsContact C-N 3.33Å; L770-S772 PolarHBondContact O-N 3.12Å; L770-T773 PolarHBondContact O-N 3.49Å; L770-L774 HydrophobicContact CD1-CD1 3.83Å; L770-L774 HydrophobicContact CD1-CG 4.02Å; L770-L774 HydrophobicContact CG-CD1 4.03Å; L770-L774 WeakPolarHBondContact O-CG 3.32Å; L770-L774 PolarHBondContact O-N 3.34Å
771	S	89.6	Confident	87.8	Confident	1 Å²	1	50 Å²	50	1%	0.007	26%	0.262	C	S	.	.	H	α-helix	trans	-62.8	-41.8	-177.3	-56.7	0	0	0	0	111.4	L767 R768 L774 A775	L767-S771 VanDerWaalsContact O-CB 3.3Å; L767-S771 WeakPolarHBondContact O-CB 3.2Å; L767-S771 PolarHBondContact O-N 3.4Å; L767-S771 PolarHBondContact O-OG 2.93Å; R768-S771 PolarHBondContact O-N 3.48Å; S771-L774 PolarHBondContact O-N 2.85Å; S771-A775 WeakPolarHBondContact O-CB 3.48Å; S771-A775 PolarHBondContact O-N 3.45Å
772	S	89.5	Confident	88.5	Confident	47 Å²	47	48.9 Å²	48.9	33%	0.329	25%	0.254	S	S	.	.	H	α-helix	trans	-60.4	-45.9	174.2	-177.4	0	0	0	0	112	R768 L770 A775 Q776	R768-S772 VanDerWaalsContact O-CB 3.28Å; R768-S772 WeakPolarHBondContact O-CB 3.35Å; R768-S772 PolarHBondContact O-N 3.03Å; L770-S772 VanDerWaalsContact C-N 3.33Å; L770-S772 PolarHBondContact O-N 3.12Å; S772-A775 PolarHBondContact O-N 2.88Å; S772-Q776 WeakPolarHBondContact O-CB 3.32Å; S772-Q776 PolarHBondContact O-N 2.83Å
773	T	91.7	Very high	88.8	Confident	66 Å²	66	42.3 Å²	42.3	41%	0.405	22%	0.22	S	C	.	.	H	α-helix	trans	-62.3	-47.6	178.6	-58.8	0	0	0	0	111.7	N769 L770 Q776 Q777	N769-T773 WeakPolarHBondContact O-CB 3.32Å; N769-T773 PolarHBondContact O-N 3.24Å; N769-T773 PolarHBondContact O-OG1 3.35Å; L770-T773 PolarHBondContact O-N 3.49Å; T773-Q776 PolarHBondContact O-N 3.43Å; T773-Q777 WeakPolarHBondContact O-CG 3.17Å; T773-Q777 PolarHBondContact O-N 3.38Å
774	L	90.7	Very high	89	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-65.6	-42.2	178.5	-69.4	174.9	0	0	0	111.6	L543 L668 L673 L770 S771 Q776 Q777 F778	L543-L774 HydrophobicContact CD1-CB 3.66Å; L543-L774 HydrophobicContact CD1-CD1 4.31Å; L543-L774 HydrophobicContact CD2-CB 4.2Å; L543-L774 HydrophobicContact CD2-CD1 4.27Å; L668-L774 HydrophobicContact CD2-CD2 4.3Å; L673-L774 HydrophobicContact CD1-CD1 4.18Å; L770-L774 HydrophobicContact CD1-CD1 3.83Å; L770-L774 HydrophobicContact CD1-CG 4.02Å; L770-L774 HydrophobicContact CG-CD1 4.03Å; L770-L774 WeakPolarHBondContact O-CG 3.32Å; L770-L774 PolarHBondContact O-N 3.34Å; S771-L774 PolarHBondContact O-N 2.85Å; L774-Q776 VanDerWaalsContact C-N 3.33Å; L774-Q776 PolarHBondContact O-N 2.94Å; L774-Q777 PolarHBondContact O-N 3.26Å; L774-F778 WeakPolarHBondContact O-CB 3.25Å; L774-F778 PolarHBondContact O-N 3.03Å
775	A	89	Confident	89	Confident	4 Å²	4	44 Å²	44	3%	0.033	23%	0.226	C	C	.	.	H	α-helix	trans	-60.4	-42	175.4	0	0	0	0	0	111.5	T544 S771 S772 F778 R779	T544-A775 HydrophobicContact CG2-CB 3.71Å; S771-A775 WeakPolarHBondContact O-CB 3.48Å; S771-A775 PolarHBondContact O-N 3.45Å; S772-A775 PolarHBondContact O-N 2.88Å; A775-F778 PolarHBondContact O-N 3.26Å; A775-R779 WeakPolarHBondContact O-CG 3.19Å; A775-R779 PolarHBondContact O-N 3.08Å
776	Q	89.5	Confident	88.8	Confident	104 Å²	104	40 Å²	40	49%	0.486	20%	0.204	S	C	.	.	H	α-helix	trans	-65	-43.3	176.7	-167.5	-174.9	19.6	0	0	112.1	S772 T773 L774 F778 R779 K780	S772-Q776 WeakPolarHBondContact O-CB 3.32Å; S772-Q776 PolarHBondContact O-N 2.83Å; T773-Q776 PolarHBondContact O-N 3.43Å; L774-Q776 VanDerWaalsContact C-N 3.33Å; L774-Q776 PolarHBondContact O-N 2.94Å; Q776-F778 VanDerWaalsContact C-N 3.3Å; Q776-F778 PolarHBondContact O-N 3.47Å; Q776-R779 PolarHBondContact O-N 2.89Å; Q776-K780 WeakPolarHBondContact O-CB 3.3Å; Q776-K780 WeakPolarHBondContact O-CG 3.44Å; Q776-K780 PolarHBondContact O-N 2.68Å
777	Q	91.9	Very high	87.9	Confident	66 Å²	66	38.1 Å²	38.1	31%	0.308	19%	0.187	S	C	.	.	H	α-helix	trans	-62.2	-39.8	175.4	-70.7	178.7	25	0	0	112.1	F555 Y667 T773 L774 F781	F555-Q777 HydrophobicContact CE2-CB 4.36Å; F555-Q777 HydrophobicContact CZ-CB 4.31Å; Y667-Q777 PolarHBondContact OH-OE1 3.43Å; T773-Q777 WeakPolarHBondContact O-CG 3.17Å; T773-Q777 PolarHBondContact O-N 3.38Å; L774-Q777 PolarHBondContact O-N 3.26Å; Q777-F781 PolarHBondContact O-N 3.47Å; Q777-F781 VanDerWaalsContact O-N 3.1Å
778	F	90.4	Very high	86.6	Confident	1 Å²	1	41.8 Å²	41.8	0%	0.004	21%	0.206	C	C	.	.	H	α-helix	trans	-65.9	-48	177	175.3	-131.3	0	0	0	111.8	T544 E546 A547 W551 F552 F555 L774 A775 Q776 K780 F781 V782	T544-F778 WeakPolarHBondContact OG1-CE1 3.42Å; E546-F778 HydrophobicContact CB-CE1 3.59Å; E546-F778 HydrophobicContact CB-CZ 3.98Å; A547-F778 HydrophobicContact CB-CE1 4.32Å; W551-F778 HydrophobicContact CB-CE2 3.88Å; W551-F778 HydrophobicContact CB-CZ 3.8Å; F552-F778 HydrophobicContact CB-CE2 4.19Å; F552-F778 HydrophobicContact CB-CZ 4.03Å; F552-F778 HydrophobicContact CD2-CD2 4.2Å; F552-F778 HydrophobicContact CD2-CE1 4.39Å; F552-F778 HydrophobicContact CD2-CE2 4.12Å; F552-F778 HydrophobicContact CD2-CG 4.42Å; F552-F778 HydrophobicContact CD2-CZ 4.21Å; F555-F778 HydrophobicContact CB-CD2 3.69Å; F555-F778 HydrophobicContact CB-CE2 3.93Å; F555-F778 HydrophobicContact CD1-CB 4.48Å; F555-F778 AromaticContact CD1-CD2 3.94Å; F555-F778 HydrophobicContact CD1-CD2 3.94Å; F555-F778 HydrophobicContact CD2-CD2 4.14Å; F555-F778 HydrophobicContact CE1-CB 4.34Å; F555-F778 HydrophobicContact CE2-CB 4.42Å; F555-F778 AromaticContact CG-CD2 3.66Å; F555-F778 HydrophobicContact CG-CD2 3.66Å; F555-F778 HydrophobicContact CG-CE2 4.39Å; F555-F778 HydrophobicContact CZ-CB 4.3Å; L774-F778 WeakPolarHBondContact O-CB 3.25Å; L774-F778 PolarHBondContact O-N 3.03Å; A775-F778 PolarHBondContact O-N 3.26Å; Q776-F778 VanDerWaalsContact C-N 3.3Å; Q776-F778 PolarHBondContact O-N 3.47Å; F778-K780 VanDerWaalsContact C-N 3.33Å; F778-K780 PolarHBondContact O-N 2.98Å; F778-F781 WeakPolarHBondContact O-CB 3.45Å; F778-F781 PolarHBondContact O-N 2.96Å; F778-F781 VanDerWaalsContact O-N 3.12Å; F778-V782 HydrophobicContact CD2-CG2 4.21Å; F778-V782 HydrophobicContact CE2-CG2 3.77Å; F778-V782 HydrophobicContact CZ-CG2 4.09Å; F778-V782 WeakPolarHBondContact O-CG2 3.35Å; F778-V782 PolarHBondContact O-N 3.22Å
779	R	87.2	Confident	84.9	Confident	44 Å²	44	46.8 Å²	46.8	17%	0.166	24%	0.237	C	C	.	.	H	α-helix	trans	-59.5	-41.4	175.7	-71.7	-176.7	-165.8	113.3	-4.9	112.4	A775 Q776 F781 V782 A783	A775-R779 WeakPolarHBondContact O-CG 3.19Å; A775-R779 PolarHBondContact O-N 3.08Å; Q776-R779 PolarHBondContact O-N 2.89Å; R779-F781 VanDerWaalsContact C-N 3.32Å; R779-F781 PolarHBondContact O-N 3.08Å; R779-V782 PolarHBondContact O-N 2.98Å; R779-A783 WeakPolarHBondContact O-CB 3.36Å; R779-A783 PolarHBondContact O-N 2.91Å
780	K	89.3	Confident	83.2	Confident	106 Å²	106	46.8 Å²	46.8	46%	0.461	23%	0.234	S	C	.	.	H	α-helix	trans	-58.9	-43	174.2	-77.4	177.6	178	178.9	0	112.2	Q776 F778 A783 E784	Q776-K780 WeakPolarHBondContact O-CB 3.3Å; Q776-K780 WeakPolarHBondContact O-CG 3.44Å; Q776-K780 PolarHBondContact O-N 2.68Å; F778-K780 VanDerWaalsContact C-N 3.33Å; F778-K780 PolarHBondContact O-N 2.98Å; K780-A783 PolarHBondContact O-N 3.04Å; K780-E784 PolarHBondContact O-N 2.89Å
781	F	90.6	Very high	81.3	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.009	27%	0.267	C	S	.	.	H	α-helix	trans	-61.3	-45.8	175	174	-90.5	0	0	0	111.5	W551 L554 F555 Q777 F778 R779 A783 E784 F785 A816	W551-F781 HydrophobicContact CE3-CE1 4.25Å; L554-F781 HydrophobicContact CB-CE1 4Å; L554-F781 HydrophobicContact CB-CZ 4.05Å; L554-F781 WeakPolarHBondContact O-CZ 3.26Å; F555-F781 HydrophobicContact CB-CD1 3.67Å; F555-F781 HydrophobicContact CB-CE1 3.83Å; F555-F781 HydrophobicContact CB-CG 4.13Å; F555-F781 HydrophobicContact CB-CZ 4.39Å; F555-F781 HydrophobicContact CD2-CB 3.67Å; F555-F781 HydrophobicContact CD2-CD1 4.14Å; F555-F781 HydrophobicContact CD2-CD2 4.17Å; F555-F781 AromaticContact CD2-CG 3.74Å; F555-F781 HydrophobicContact CD2-CG 3.74Å; F555-F781 HydrophobicContact CE2-CB 4.29Å; F555-F781 HydrophobicContact CG-CD1 4.41Å; F555-F781 HydrophobicContact CG-CG 4.44Å; Q777-F781 PolarHBondContact O-N 3.47Å; Q777-F781 VanDerWaalsContact O-N 3.1Å; F778-F781 WeakPolarHBondContact O-CB 3.45Å; F778-F781 PolarHBondContact O-N 2.96Å; F778-F781 VanDerWaalsContact O-N 3.12Å; R779-F781 VanDerWaalsContact C-N 3.32Å; R779-F781 PolarHBondContact O-N 3.08Å; F781-A783 PolarHBondContact O-N 2.83Å; F781-E784 WeakPolarHBondContact O-CB 3.48Å; F781-E784 PolarHBondContact O-N 3.29Å; F781-F785 HydrophobicContact CD1-CD2 4.43Å; F781-F785 HydrophobicContact CD2-CD2 4.48Å; F781-F785 AromaticContact CD2-CE2 3.87Å; F781-F785 HydrophobicContact CD2-CE2 3.87Å; F781-F785 HydrophobicContact CE1-CD2 4.14Å; F781-F785 HydrophobicContact CE1-CE2 4.1Å; F781-F785 HydrophobicContact CE2-CD2 4.22Å; F781-F785 AromaticContact CE2-CE2 3.41Å; F781-F785 HydrophobicContact CE2-CE2 3.41Å; F781-F785 VanDerWaalsContact CE2-CE2 3.41Å; F781-F785 HydrophobicContact CE2-CZ 4.26Å; F781-F785 HydrophobicContact CG-CE2 4.4Å; F781-F785 HydrophobicContact CZ-CD2 4.02Å; F781-F785 AromaticContact CZ-CE2 3.53Å; F781-F785 HydrophobicContact CZ-CE2 3.53Å; F781-F785 HydrophobicContact CZ-CZ 4.42Å; F781-F785 VanDerWaalsContact O-CD2 3.26Å; F781-F785 WeakPolarHBondContact O-CD2 3.49Å; F781-A816 HydrophobicContact CE2-CB 4.28Å; F781-A816 HydrophobicContact CZ-CB 4.19Å
782	V	88.7	Confident	79.8	Confident	3 Å²	3	57.4 Å²	57.4	2%	0.018	28%	0.283	C	S	.	.	H	α-helix	trans	-62.2	-45.5	177.3	178.5	0	0	0	0	111.1	W551 F778 R779 E784 F785 Q786 L796 P803	W551-V782 HydrophobicContact CB-CG2 3.95Å; W551-V782 HydrophobicContact CD2-CG1 4.05Å; W551-V782 HydrophobicContact CD2-CG2 3.99Å; W551-V782 HydrophobicContact CE3-CG1 4.47Å; W551-V782 HydrophobicContact CE3-CG2 4.15Å; W551-V782 HydrophobicContact CG-CG1 4.35Å; W551-V782 HydrophobicContact CG-CG2 3.9Å; W551-V782 HydrophobicContact CZ2-CG1 4.28Å; F778-V782 HydrophobicContact CD2-CG2 4.21Å; F778-V782 HydrophobicContact CE2-CG2 3.77Å; F778-V782 HydrophobicContact CZ-CG2 4.09Å; F778-V782 WeakPolarHBondContact O-CG2 3.35Å; F778-V782 PolarHBondContact O-N 3.22Å; R779-V782 PolarHBondContact O-N 2.98Å; V782-E784 VanDerWaalsContact C-N 3.3Å; V782-E784 PolarHBondContact O-N 3.28Å; V782-F785 PolarHBondContact O-N 3.02Å; V782-Q786 HydrophobicContact CG1-CG 4.02Å; V782-Q786 WeakPolarHBondContact O-CG 3.21Å; V782-Q786 PolarHBondContact O-N 3.11Å; V782-L796 HydrophobicContact CG1-CD2 4.14Å; V782-P803 HydrophobicContact CG1-CG 3.68Å
783	A	85.7	Confident	78.1	Confident	6 Å²	6	56.2 Å²	56.2	5%	0.05	28%	0.275	C	S	.	.	H	α-helix	trans	-58.2	-40.2	179	0	0	0	0	0	112.7	R779 K780 F781 F785 Q786 Y787 L796	R779-A783 WeakPolarHBondContact O-CB 3.36Å; R779-A783 PolarHBondContact O-N 2.91Å; K780-A783 PolarHBondContact O-N 3.04Å; F781-A783 PolarHBondContact O-N 2.83Å; A783-F785 VanDerWaalsContact C-N 3.3Å; A783-F785 PolarHBondContact O-N 3.24Å; A783-Q786 PolarHBondContact O-N 3.47Å; A783-Y787 HydrophobicContact CB-CD2 4.37Å; A783-Y787 PolarHBondContact O-N 3.46Å; A783-L796 HydrophobicContact CB-CD1 3.69Å
784	E	86.4	Confident	76.2	Confident	112 Å²	112	60.3 Å²	60.3	52%	0.523	29%	0.29	S	S	.	.	H	α-helix	trans	-53.6	-45.7	177.1	-173.5	-178.2	164.9	0	0	111.8	K780 F781 V782 L788	K780-E784 PolarHBondContact O-N 2.89Å; F781-E784 WeakPolarHBondContact O-CB 3.48Å; F781-E784 PolarHBondContact O-N 3.29Å; V782-E784 VanDerWaalsContact C-N 3.3Å; V782-E784 PolarHBondContact O-N 3.28Å; E784-L788 PolarHBondContact O-N 2.74Å
785	F	85.1	Confident	74.4	Confident	11 Å²	11	63.7 Å²	63.7	5%	0.048	31%	0.305	C	S	.	.	H	α-helix	trans	-82.7	-27.6	-179.4	-68.3	-74.9	0	0	0	113.6	W551 F781 V782 A783 R807 V809 A816	W551-F785 HydrophobicContact CH2-CB 3.73Å; W551-F785 HydrophobicContact CZ3-CB 3.81Å; W551-F785 HydrophobicContact CZ3-CD2 4.29Å; W551-F785 HydrophobicContact CZ3-CG 4.27Å; F781-F785 HydrophobicContact CD1-CD2 4.43Å; F781-F785 HydrophobicContact CD2-CD2 4.48Å; F781-F785 AromaticContact CD2-CE2 3.87Å; F781-F785 HydrophobicContact CD2-CE2 3.87Å; F781-F785 HydrophobicContact CE1-CD2 4.14Å; F781-F785 HydrophobicContact CE1-CE2 4.1Å; F781-F785 HydrophobicContact CE2-CD2 4.22Å; F781-F785 AromaticContact CE2-CE2 3.41Å; F781-F785 HydrophobicContact CE2-CE2 3.41Å; F781-F785 VanDerWaalsContact CE2-CE2 3.41Å; F781-F785 HydrophobicContact CE2-CZ 4.26Å; F781-F785 HydrophobicContact CG-CE2 4.4Å; F781-F785 HydrophobicContact CZ-CD2 4.02Å; F781-F785 AromaticContact CZ-CE2 3.53Å; F781-F785 HydrophobicContact CZ-CE2 3.53Å; F781-F785 HydrophobicContact CZ-CZ 4.42Å; F781-F785 VanDerWaalsContact O-CD2 3.26Å; F781-F785 WeakPolarHBondContact O-CD2 3.49Å; V782-F785 PolarHBondContact O-N 3.02Å; A783-F785 VanDerWaalsContact C-N 3.3Å; A783-F785 PolarHBondContact O-N 3.24Å; F785-R807 PolarHBondContact O-NH1 3.33Å; F785-V809 HydrophobicContact CB-CG2 3.87Å; F785-V809 HydrophobicContact CD1-CG1 3.83Å; F785-V809 HydrophobicContact CD1-CG2 3.87Å; F785-V809 HydrophobicContact CE1-CG1 3.98Å; F785-V809 HydrophobicContact CG-CG1 4.2Å; F785-V809 HydrophobicContact CG-CG2 3.98Å; F785-V809 HydrophobicContact CZ-CG1 4.48Å; F785-A816 HydrophobicContact CE2-CB 4.35Å; F785-A816 HydrophobicContact CZ-CB 3.8Å
786	Q	81.1	Confident	72.6	Confident	7 Å²	7	63.7 Å²	63.7	3%	0.033	31%	0.305	C	S	.	.	H	α-helix	trans	-78.8	-44.8	179.6	-68.6	-148.9	11.4	0	0	113.6	W551 V782 A783 P803 R807	W551-Q786 HydrophobicContact CH2-CG 4.34Å; W551-Q786 HydrophobicContact CZ2-CG 3.99Å; V782-Q786 HydrophobicContact CG1-CG 4.02Å; V782-Q786 WeakPolarHBondContact O-CG 3.21Å; V782-Q786 PolarHBondContact O-N 3.11Å; A783-Q786 PolarHBondContact O-N 3.47Å; Q786-P803 VanDerWaalsContact NE2-CB 3.26Å; Q786-P803 PolarHBondContact NE2-O 3.01Å; Q786-R807 PolarHBondContact O-NH1 2.99Å; Q786-R807 VanDerWaalsContact O-NH1 3.15Å
787	Y	70.3	Confident	70.8	Confident	28 Å²	28	63 Å²	63	11%	0.11	30%	0.301	C	S	.	.	H	α-helix	trans	-107.1	-24.8	-166.7	-61	-69.9	0	0	0	114	A783 E790 R792 L796 R807	A783-Y787 HydrophobicContact CB-CD2 4.37Å; A783-Y787 PolarHBondContact O-N 3.46Å; Y787-E790 WeakPolarHBondContact CB-O 3.45Å; Y787-R792 HydrophobicContact CD1-CB 4.33Å; Y787-R792 HydrophobicContact CD2-CB 3.81Å; Y787-R792 HydrophobicContact CE1-CB 4.46Å; Y787-R792 HydrophobicContact CE2-CB 3.96Å; Y787-R792 HydrophobicContact CG-CB 4.01Å; Y787-L796 HydrophobicContact CE2-CD1 4.1Å; Y787-R807 PolarHBondContact O-NH2 2.71Å
788	L	60.9	Low	68.6	Low	84 Å²	84	63.7 Å²	63.7	44%	0.44	31%	0.314	S	S	.	.	S	Bend	trans	43.3	99.7	-173.7	-84.4	169.5	0	0	0	112.6	E784 E790 R807	E784-L788 PolarHBondContact O-N 2.74Å; L788-E790 VanDerWaalsContact C-N 3.3Å; L788-E790 PolarHBondContact O-N 3.46Å; L788-R807 VanDerWaalsContact CB-NH1 3.27Å; L788-R807 VanDerWaalsContact CD1-NH1 3.29Å
789	N	53.7	Low	66.5	Low	167 Å²	167	65.7 Å²	65.7	89%	0.893	33%	0.331	S	S	*	.	S	Bend	trans	72.4	7.4	175.1	-45.7	-42.5	0	0	0	116.6
790	E	54.6	Low	64.7	Low	109 Å²	109	68.7 Å²	68.7	51%	0.509	35%	0.354	S	S	.	.			trans	-112.6	119.5	164.6	-65.2	-172.8	-178.7	0	0	109.1	Y787 L788 R792	Y787-E790 WeakPolarHBondContact CB-O 3.45Å; L788-E790 VanDerWaalsContact C-N 3.3Å; L788-E790 PolarHBondContact O-N 3.46Å; E790-R792 HydrophobicContact CB-CG 4.18Å; E790-R792 PolarHBondContact O-N 3.13Å; E790-R792 WeakPolarHBondContact OE2-CD 3.37Å; E790-R792 IonicContact OE2-CZ 3.78Å; E790-R792 IonicContact OE2-NE 2.96Å; E790-R792 PolarHBondContact OE2-NE 3.16Å
791	D	52	Low	63.2	Low	140 Å²	140	69.8 Å²	69.8	75%	0.749	36%	0.36	S	S	*	.			trans	-79.1	74.3	177.1	-149	-13.3	0	0	0	109.2	S793	D791-S793 PolarHBondContact O-N 3.09Å; D791-S793 PolarHBondContact OD1-OG 3.04Å
792	R	57.2	Low	61.9	Low	95 Å²	95	70.5 Å²	70.5	36%	0.358	37%	0.366	S	S	.	.			trans	-92.8	32.2	177.2	-74.6	171.9	160.8	-113.7	-18.8	111.8	Y787 E790 E794 E795	Y787-R792 HydrophobicContact CD1-CB 4.33Å; Y787-R792 HydrophobicContact CD2-CB 3.81Å; Y787-R792 HydrophobicContact CE1-CB 4.46Å; Y787-R792 HydrophobicContact CE2-CB 3.96Å; Y787-R792 HydrophobicContact CG-CB 4.01Å; E790-R792 HydrophobicContact CB-CG 4.18Å; E790-R792 PolarHBondContact O-N 3.13Å; E790-R792 WeakPolarHBondContact OE2-CD 3.37Å; E790-R792 IonicContact OE2-CZ 3.78Å; E790-R792 IonicContact OE2-NE 2.96Å; E790-R792 PolarHBondContact OE2-NE 3.16Å; R792-E794 PolarHBondContact O-N 3Å; R792-E795 HydrophobicContact CB-CB 4.44Å; R792-E795 HydrophobicContact CB-CG 4.25Å; R792-E795 WeakPolarHBondContact CD-OE2 3.31Å; R792-E795 HydrophobicContact CG-CG 4.5Å; R792-E795 IonicContact CZ-OE1 3.07Å; R792-E795 IonicContact CZ-OE2 2.78Å; R792-E795 IonicContact NE-OE1 2.78Å; R792-E795 IonicContact NE-OE2 3.1Å; R792-E795 IonicContact NH1-OE1 2.74Å; R792-E795 PolarHBondContact NH1-OE1 3.49Å; R792-E795 IonicContact NH1-OE2 2.86Å; R792-E795 PolarHBondContact NH1-OE2 3.06Å; R792-E795 IonicContact NH2-OE1 3.11Å; R792-E795 PolarHBondContact NH2-OE1 3.12Å; R792-E795 PolarHBondContact O-N 2.97Å; R792-E795 VanDerWaalsContact O-N 3.09Å
793	S	54	Low	61.1	Low	23 Å²	23	71 Å²	71	16%	0.161	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-30.5	178	-63.6	0	0	0	0	112.6	D791 L796	D791-S793 PolarHBondContact O-N 3.09Å; D791-S793 PolarHBondContact OD1-OG 3.04Å; S793-L796 WeakPolarHBondContact O-CB 3.44Å
794	E	52.4	Low	60.9	Low	151 Å²	151	74.7 Å²	74.7	71%	0.706	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-35.3	177.6	-65.3	179.8	176.9	0	0	112.7	R792 L796 Q797 S798	R792-E794 PolarHBondContact O-N 3Å; E794-L796 PolarHBondContact O-N 3.13Å; E794-Q797 WeakPolarHBondContact O-CB 3.46Å; E794-Q797 PolarHBondContact O-N 3.18Å; E794-S798 PolarHBondContact O-N 3.02Å
795	E	52.9	Low	60.9	Low	74 Å²	74	69.5 Å²	69.5	35%	0.346	36%	0.358	S	S	.	.	H	α-helix	trans	-61.7	-34.8	176.3	-66.6	-173.1	163	0	0	111	R792 Q797 S798 A799	R792-E795 HydrophobicContact CB-CB 4.44Å; R792-E795 HydrophobicContact CB-CG 4.25Å; R792-E795 WeakPolarHBondContact CD-OE2 3.31Å; R792-E795 HydrophobicContact CG-CG 4.5Å; R792-E795 IonicContact CZ-OE1 3.07Å; R792-E795 IonicContact CZ-OE2 2.78Å; R792-E795 IonicContact NE-OE1 2.78Å; R792-E795 IonicContact NE-OE2 3.1Å; R792-E795 IonicContact NH1-OE1 2.74Å; R792-E795 PolarHBondContact NH1-OE1 3.49Å; R792-E795 IonicContact NH1-OE2 2.86Å; R792-E795 PolarHBondContact NH1-OE2 3.06Å; R792-E795 IonicContact NH2-OE1 3.11Å; R792-E795 PolarHBondContact NH2-OE1 3.12Å; R792-E795 PolarHBondContact O-N 2.97Å; R792-E795 VanDerWaalsContact O-N 3.09Å; E795-Q797 VanDerWaalsContact C-N 3.3Å; E795-Q797 PolarHBondContact O-N 3.28Å; E795-S798 PolarHBondContact O-N 3.41Å; E795-S798 PolarHBondContact O-OG 3.23Å; E795-A799 PolarHBondContact O-N 3.17Å
796	L	51.4	Low	60.9	Low	5 Å²	5	76.1 Å²	76.1	3%	0.026	38%	0.383	C	S	.	.	H	α-helix	trans	-69.4	-21.7	173.8	-77.7	146.4	0	0	0	113.7	V782 A783 Y787 S793 E794 P803	V782-L796 HydrophobicContact CG1-CD2 4.14Å; A783-L796 HydrophobicContact CB-CD1 3.69Å; Y787-L796 HydrophobicContact CE2-CD1 4.1Å; S793-L796 WeakPolarHBondContact O-CB 3.44Å; E794-L796 PolarHBondContact O-N 3.13Å; L796-P803 HydrophobicContact CD2-CB 3.51Å; L796-P803 HydrophobicContact CD2-CG 3.44Å; L796-P803 VanDerWaalsContact CD2-CG 3.44Å
797	Q	50.4	Low	61.2	Low	88 Å²	88	79.6 Å²	79.6	41%	0.411	40%	0.396	S	S	.	.	H	α-helix	trans	-74.1	-34.2	174	-67.7	173.3	-28.7	0	0	111.4	E794 E795	E794-Q797 WeakPolarHBondContact O-CB 3.46Å; E794-Q797 PolarHBondContact O-N 3.18Å; E795-Q797 VanDerWaalsContact C-N 3.3Å; E795-Q797 PolarHBondContact O-N 3.28Å
798	S	46	Very low	62.2	Low	81 Å²	81	78.8 Å²	78.8	57%	0.566	39%	0.393	S	S	*	.	H	α-helix	trans	-84.4	-20.1	-177.3	70.5	0	0	0	0	114.4	E794 E795 V800	E794-S798 PolarHBondContact O-N 3.02Å; E795-S798 PolarHBondContact O-N 3.41Å; E795-S798 PolarHBondContact O-OG 3.23Å; S798-V800 PolarHBondContact O-N 3.39Å
799	A	46.9	Very low	63.8	Low	44 Å²	44	74.8 Å²	74.8	36%	0.364	37%	0.372	S	S	.	.			trans	-70	119.3	-178	0	0	0	0	0	110.5	E795 E801	E795-A799 PolarHBondContact O-N 3.17Å; A799-E801 VanDerWaalsContact C-N 3.26Å
800	V	49.7	Very low	65.7	Low	107 Å²	107	66.9 Å²	66.9	65%	0.648	33%	0.33	S	S	*	.	S	Bend	trans	-68.6	-32	172.6	-179.7	0	0	0	0	110.5	S798	S798-V800 PolarHBondContact O-N 3.39Å
801	E	56.9	Low	67.6	Low	128 Å²	128	61.9 Å²	61.9	60%	0.598	31%	0.307	S	S	*	.	S	Bend	trans	-94.8	147.3	-178.3	-66.3	-174.5	174	0	0	112.8	A799	A799-E801 VanDerWaalsContact C-N 3.26Å
802	S	63.5	Low	69.4	Low	18 Å²	18	56.8 Å²	56.8	13%	0.126	28%	0.279	C	S	.	.			trans	-57.7	132.5	171	70	0	0	0	0	110.4	Y804	S802-Y804 PolarHBondContact O-N 3.19Å
803	P	71.5	Confident	70.6	Confident	13 Å²	13	59.5 Å²	59.5	8%	0.084	30%	0.301	C	S	.	.			trans	-73.5	110.3	-165.2	35.2	-40.3	0	0	0	108.5	E546 W551 V782 Q786 L796	E546-P803 HydrophobicContact CG-CG 4.12Å; W551-P803 PolarHBondContact NE1-O 3.09Å; V782-P803 HydrophobicContact CG1-CG 3.68Å; Q786-P803 VanDerWaalsContact NE2-CB 3.26Å; Q786-P803 PolarHBondContact NE2-O 3.01Å; L796-P803 HydrophobicContact CD2-CB 3.51Å; L796-P803 HydrophobicContact CD2-CG 3.44Å; L796-P803 VanDerWaalsContact CD2-CG 3.44Å
804	Y	82.7	Confident	72.1	Confident	83 Å²	83	59.7 Å²	59.7	33%	0.325	31%	0.307	S	S	.	.			trans	-60.6	132.7	-175.4	-157.5	-93.3	0	0	0	111	K571 W593 S617 A618 S802 R806	K571-Y804 HydrophobicContact CB-CE1 3.67Å; K571-Y804 WeakPolarHBondContact CB-OH 3.17Å; K571-Y804 HydrophobicContact CD-CE1 4.49Å; W593-Y804 HydrophobicContact CB-CE2 4.29Å; W593-Y804 AromaticContact CD1-CD2 3.74Å; W593-Y804 AromaticContact CD1-CE2 3.58Å; W593-Y804 HydrophobicContact CG-CD2 4.28Å; W593-Y804 AromaticContact CG-CE2 3.92Å; W593-Y804 HydrophobicContact CG-CE2 3.92Å; W593-Y804 AromaticContact NE1-CD2 3.81Å; S617-Y804 VanDerWaalsContact C-OH 3.23Å; S617-Y804 WeakPolarHBondContact CA-OH 3.36Å; A618-Y804 HydrophobicContact CB-CE1 3.93Å; A618-Y804 HydrophobicContact CB-CE2 4.44Å; A618-Y804 PolarHBondContact N-OH 2.94Å; S802-Y804 PolarHBondContact O-N 3.19Å; Y804-R806 PolarHBondContact O-N 3.4Å; Y804-R806 VanDerWaalsContact O-N 3.07Å
805	P	86.7	Confident	73.8	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.019	30%	0.298	C	S	.	.			trans	-63.8	116.6	-174.4	25.3	-34.5	0	0	0	111.4	W551 L568 M570 W593 A618	W551-P805 HydrophobicContact CZ2-CB 4.03Å; L568-P805 HydrophobicContact CD1-CG 4.35Å; L568-P805 HydrophobicContact CD2-CB 3.9Å; L568-P805 HydrophobicContact CD2-CG 4.32Å; L568-P805 HydrophobicContact CG-CB 4.19Å; L568-P805 HydrophobicContact CG-CG 4.35Å; M570-P805 VanDerWaalsContact CB-O 3.3Å; M570-P805 WeakPolarHBondContact CB-O 3.35Å; W593-P805 HydrophobicContact CE3-CG 4.23Å; W593-P805 HydrophobicContact CZ3-CG 4.28Å; A618-P805 HydrophobicContact CB-CG 3.32Å
806	R	84.8	Confident	75.7	Confident	150 Å²	150	53.9 Å²	53.9	57%	0.566	29%	0.289	S	S	*	.			trans	-86.6	-8.7	176.7	-63.1	-174.9	177.7	-175.6	1.4	113.7	M570 Y804	M570-R806 VanDerWaalsContact SD-O 3.32Å; Y804-R806 PolarHBondContact O-N 3.4Å; Y804-R806 VanDerWaalsContact O-N 3.07Å
807	R	87.1	Confident	77.6	Confident	80 Å²	80	56.1 Å²	56.1	30%	0.302	31%	0.305	S	S	.	.	S	Bend	trans	-144.1	158.4	-177.7	-63.2	-169.1	-176.1	126.9	-3.8	110.1	F785 Q786 Y787 L788	F785-R807 PolarHBondContact O-NH1 3.33Å; Q786-R807 PolarHBondContact O-NH1 2.99Å; Q786-R807 VanDerWaalsContact O-NH1 3.15Å; Y787-R807 PolarHBondContact O-NH2 2.71Å; L788-R807 VanDerWaalsContact CB-NH1 3.27Å; L788-R807 VanDerWaalsContact CD1-NH1 3.29Å
808	N	92	Very high	79.4	Confident	11 Å²	11	54 Å²	54	6%	0.059	30%	0.299	C	S	.	.			trans	-80.2	134.5	172.3	-56.8	-32.3	0	0	0	109.7	L568 L569 M570 Y573 W819	L568-N808 CarbonylContact O-C 3.55Å; L568-N808 WeakPolarHBondContact O-CA 3.41Å; L569-N808 VanDerWaalsContact CA-OD1 3.29Å; L569-N808 WeakPolarHBondContact CA-OD1 3.16Å; L569-N808 HydrophobicContact CD2-CB 4.09Å; M570-N808 WeakPolarHBondContact CG-OD1 3.31Å; M570-N808 PolarHBondContact N-OD1 3.48Å; Y573-N808 WeakPolarHBondContact CD2-ND2 3.48Å; Y573-N808 VanDerWaalsContact CE2-ND2 3.26Å; Y573-N808 WeakPolarHBondContact CE2-ND2 3.49Å; N808-W819 HydrophobicContact CB-CB 3.88Å; N808-W819 HydrophobicContact CB-CG 4.44Å; N808-W819 WeakPolarHBondContact CB-O 3.3Å; N808-W819 PolarHBondContact O-N 3.05Å
809	V	93.5	Very high	81.2	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.8	179.7	-175.7	0	0	0	0	108.7	W551 L554 L567 L568 F785	W551-V809 HydrophobicContact CH2-CG2 3.92Å; W551-V809 HydrophobicContact CZ3-CG2 4.1Å; L554-V809 HydrophobicContact CD1-CB 4.1Å; L554-V809 HydrophobicContact CD1-CG1 3.95Å; L567-V809 CarbonylContact C-O 3.56Å; L567-V809 WeakPolarHBondContact CA-O 3.44Å; L568-V809 HydrophobicContact CB-CB 4.43Å; L568-V809 PolarHBondContact N-O 3.14Å; L568-V809 PolarHBondContact O-N 3.1Å; F785-V809 HydrophobicContact CB-CG2 3.87Å; F785-V809 HydrophobicContact CD1-CG1 3.83Å; F785-V809 HydrophobicContact CD1-CG2 3.87Å; F785-V809 HydrophobicContact CE1-CG1 3.98Å; F785-V809 HydrophobicContact CG-CG1 4.2Å; F785-V809 HydrophobicContact CG-CG2 3.98Å; F785-V809 HydrophobicContact CZ-CG1 4.48Å
810	S	93.8	Very high	82.4	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.007	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	141.8	177.5	66.2	0	0	0	0	110.8	S566 A816 S817	S566-S810 CarbonylContact O-C 3.58Å; S566-S810 WeakPolarHBondContact O-CA 3.5Å; S810-A816 CarbonylContact O-C 3.52Å; S810-A816 VanDerWaalsContact O-CA 3.28Å; S810-A816 WeakPolarHBondContact O-CA 3.32Å; S810-S817 PolarHBondContact N-O 3.46Å; S810-S817 PolarHBondContact O-N 2.96Å; S810-S817 PolarHBondContact OG-O 2.75Å; S810-S817 PolarHBondContact OG-OG 3.39Å
811	F	94.7	Very high	82.9	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.018	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	108.4	166	179.2	-98.6	0	0	0	108.5	L554 Y557 S566 G814 T815 A816	L554-F811 HydrophobicContact CD2-CB 3.82Å; Y557-F811 VanDerWaalsContact C-CE2 3.44Å; Y557-F811 HydrophobicContact CD2-CD1 4.05Å; Y557-F811 HydrophobicContact CD2-CE1 4.46Å; Y557-F811 HydrophobicContact CD2-CG 4.22Å; Y557-F811 HydrophobicContact CG-CD1 4.37Å; Y557-F811 HydrophobicContact CG-CE1 4.37Å; Y557-F811 WeakPolarHBondContact O-CE2 3.17Å; S566-F811 PolarHBondContact N-O 3.14Å; S566-F811 PolarHBondContact O-N 3Å; F811-G814 VanDerWaalsContact CZ-CA 3.44Å; F811-T815 WeakPolarHBondContact CA-O 3.13Å; F811-A816 HydrophobicContact CD2-CB 4.4Å
812	I	89.7	Confident	84.2	Confident	33 Å²	33	53.8 Å²	53.8	17%	0.169	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	132.6	-175.6	-49.3	-177.7	0	0	0	108.2	L565 P581 G814 T815 W819	L565-I812 HydrophobicContact CD1-CB 4.24Å; L565-I812 HydrophobicContact CD1-CD1 4.42Å; L565-I812 HydrophobicContact CD1-CG1 3.74Å; L565-I812 HydrophobicContact CD1-CG2 4.12Å; P581-I812 HydrophobicContact CG-CD1 4.32Å; I812-G814 VanDerWaalsContact C-N 3.28Å; I812-G814 PolarHBondContact O-N 2.82Å; I812-T815 PolarHBondContact N-O 2.81Å; I812-T815 PolarHBondContact O-N 3.19Å; I812-T815 VanDerWaalsContact O-N 3.12Å; I812-T815 PolarHBondContact O-OG1 3.04Å; I812-W819 HydrophobicContact CD1-CE3 4.12Å; I812-W819 HydrophobicContact CD1-CZ3 3.72Å
813	N	83.1	Confident	85.3	Confident	152 Å²	152	55.6 Å²	55.6	81%	0.813	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	42.3	177.3	-57.7	-28.3	0	0	0	113.7	T815	N813-T815 PolarHBondContact O-N 3.2Å
814	G	84.6	Confident	86.1	Confident	28 Å²	28	58 Å²	58	29%	0.289	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	3	177.1	0	0	0	0	0	115.4	F811 I812	F811-G814 VanDerWaalsContact CZ-CA 3.44Å; I812-G814 VanDerWaalsContact C-N 3.28Å; I812-G814 PolarHBondContact O-N 2.82Å
815	T	89	Confident	86.3	Confident	84 Å²	84	56.5 Å²	56.5	52%	0.515	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	134.6	-176	59	0	0	0	0	112.4	F811 I812 N813	F811-T815 WeakPolarHBondContact CA-O 3.13Å; I812-T815 PolarHBondContact N-O 2.81Å; I812-T815 PolarHBondContact O-N 3.19Å; I812-T815 VanDerWaalsContact O-N 3.12Å; I812-T815 PolarHBondContact O-OG1 3.04Å; N813-T815 PolarHBondContact O-N 3.2Å
816	A	91.9	Very high	86.3	Confident	19 Å²	19	59.9 Å²	59.9	16%	0.157	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	132.9	170.5	0	0	0	0	0	110.1	F781 F785 S810 F811	F781-A816 HydrophobicContact CE2-CB 4.28Å; F781-A816 HydrophobicContact CZ-CB 4.19Å; F785-A816 HydrophobicContact CE2-CB 4.35Å; F785-A816 HydrophobicContact CZ-CB 3.8Å; S810-A816 CarbonylContact O-C 3.52Å; S810-A816 VanDerWaalsContact O-CA 3.28Å; S810-A816 WeakPolarHBondContact O-CA 3.32Å; F811-A816 HydrophobicContact CD2-CB 4.4Å
817	S	91.2	Very high	86.4	Confident	52 Å²	52	53.9 Å²	53.9	36%	0.364	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	154.3	-179.7	59.9	0	0	0	0	111.7	S810 W819	S810-S817 PolarHBondContact N-O 3.46Å; S810-S817 PolarHBondContact O-N 2.96Å; S810-S817 PolarHBondContact OG-O 2.75Å; S810-S817 PolarHBondContact OG-OG 3.39Å; S817-W819 PolarHBondContact O-N 2.87Å
818	C	88.1	Confident	86.3	Confident	44 Å²	44	52 Å²	52	30%	0.297	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	128.8	172.2	-72.4	0	0	0	0	110.2
819	W	84.2	Confident	85.9	Confident	47 Å²	47	55.2 Å²	55.2	18%	0.178	34%	0.342	C	S	.	.			trans	-95.2	108.8	-179.1	178.7	-95.3	0	0	0	111.3	L567 P579 N808 I812 S817 A821	L567-W819 HydrophobicContact CD1-CB 3.84Å; L567-W819 HydrophobicContact CD1-CD2 4.05Å; L567-W819 HydrophobicContact CD1-CG 3.62Å; P579-W819 HydrophobicContact CB-CH2 3.7Å; P579-W819 HydrophobicContact CB-CZ2 3.65Å; P579-W819 HydrophobicContact CG-CH2 4.19Å; P579-W819 HydrophobicContact CG-CZ2 3.66Å; N808-W819 HydrophobicContact CB-CB 3.88Å; N808-W819 HydrophobicContact CB-CG 4.44Å; N808-W819 WeakPolarHBondContact CB-O 3.3Å; N808-W819 PolarHBondContact O-N 3.05Å; I812-W819 HydrophobicContact CD1-CE3 4.12Å; I812-W819 HydrophobicContact CD1-CZ3 3.72Å; S817-W819 PolarHBondContact O-N 2.87Å; W819-A821 HydrophobicContact CZ2-CB 3.81Å
820	N	71.5	Confident	85.3	Confident	155 Å²	155	59.8 Å²	59.8	83%	0.829	37%	0.37	S	S	*	.			trans	-114.7	113.2	171.1	-67.3	-27.1	0	0	0	108.2
821	A	61.4	Low	84.5	Confident	98 Å²	98	65.1 Å²	65.1	81%	0.81	40%	0.403	S	S	*	.			trans	-114.8	0	178.6	0	0	0	0	0	113.6	W819	W819-A821 HydrophobicContact CZ2-CB 3.81Å

Retrieved 821 of 821 residues in 554.2 ms (Link to these results)

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